UCSF

ZINC00621853

Substance Information

In ZINC since Heavy atoms Benign functionality
July 25th, 2004 29 Yes

CAS Numbers: 54192-66-4 , 64-86-8 , [64-86-8]

Other Names:

"Colchicine, 97%"

(S)-colchicine

(S)-N-(5,6,7,9-Tetrahydro-1,2,3,10-tetramethoxy-9-oxobenzo[a]heptalen-7-yl)acetamide

(S)-N-(5,6,7,9-tetrahydro-1,2,3,10-tetramethoxy-9-oxobenzo[a]heptalen-7-yl)acetamide; 7alphaH-colchicine; Colchicin; colchicina; colchicinum

30512-31-3

5843-86-7

64-86-8

64-86-8; C07592; Colchicine

64-86-8; Colchicine (JP16/USP); Colchicine (TN); D00570

64-86-8; Colchicine; Prestwick_695

7-alpha-H-Colchicine

7-alpha-H-Colchicine; 7alphaH-Colchicine; AI3-31149; Acetamide, N-((7S)-5,6,7,9-tetrahydro-1,2,3,10-tetramethoxy-9-oxobenzo(a)heptalen-7-yl)-; Acetamide, N-(5,6,7,9-tetrahydro-1,2,3,10-tetramethoxy-9-oxobenzo(a)heptalen-7-yl)-, (S)-; Acetamide, N-(5,6,7,9

7.alpha.H-Colchicine

7alphaH-Colchicine

92

AC1L1LXO

Acetamide, N-((7S)-5,6,7,9-tetrahydro-1,2,3,10-tetramethoxy-9-oxobenzo(a)heptalen-7-yl)-

Acetamide, N-(5,6,7,9-tetrahydro-1,2,3,10-tetramethoxy-9-oxobenzo(.alpha.)heptalen-7-yl)-

Acetamide, N-(5,6,7,9-tetrahydro-1,2,3,10-tetramethoxy-9-oxobenzo(a)heptalen-7-yl)-, (S)-

Acetamide, N-(5,6,7,9-tetrahydro-1,2,3,10-tetramethoxy-9-oxobenzo(alpha)heptalen-7-yl)-

Acetamide, N-(5,6,7,9-tetrahydro-1,2,3,10-tetramethoxy-9-oxobenzo[.alpha.]heptalen-7-yl)-

Acetamide, N-(5,6,7,9-tetrahydro-1,2,3,10-tetramethoxy-9-oxobenzo[a]heptalen-7-yl)-, (S)-

ACon1_000353

AI3-31149

AKOS001582887

Artrichine

BB_NC-0737

Benzo(a)heptalen-9(5H)-one

Benzo(a)heptalen-9(5H)-one, 7-acetamido-6,7-dihydro-1,2,3,10-tetramethoxy-

Benzo[a]heptalen-9(5H)-one, 7-acetamido-6,7-dihydro-1,2,3,10-tetramethoxy-

binds to tubulin

BPBio1_000535

BRD-A46684810-001-04-6

BRD-K00259736-001-06-5

BSPBio_000485

BSPBio_002083

C 9754

C07592

C22H25NO6

C3915_SIGMA

C9754_SIGMA

CCRIS 691

CHEBI:27882

CHEBI:3811

CHEMBL107

CID6167

Col-probenecid

Colbenemid

Colchiceine methyl ether

Colchicin

Colchicin [German]

Colchicin;Colchicina;Colchicinum

Colchicina

Colchicina [Italian]

Colchicine (contains 5% Ethyl Acetate at maximum)

Colchicine (FDA

Colchicine (JAN

Colchicine (JP15/USP)

Colchicine (TN)

COLCHICINE natural

COLCHICINE natural; [64-86-8]

Colchicine [64-86-8]

Colchicine [64-86-8]; (((s)-n-(5,6,7,9-tetrahydro-1,2,3,,10-tetramethoxy-9-oxobenzo[a]heptalen-7-yl)acetamide))

Colchicine [JAN]

Colchicine, (+-)-Isomer

Colchicine, (R)-Isomer

Colchicine, 95% (dry wt.)

Colchicine, 95% (dry wt.), may cont. up to 2% water and 8% ethyl acetate

Colchicine, 97%

Colchicine, Colchicum autumnale

COLCHICINE; LS-187917; PROBENECID; PROBENECID AND COLCHICINE

COLCHICINE; [64-86-8]

Colchicinum

Colchineos

Colchisol

Colchysat

Colcin

Colcrys

Colsaloid

Colstat

Condylon

CPD-9785

CPD-9785; colchicin; colchicina; colchicine; colsaloid; condylon; spindle poison

D003078

D00570

DAP001254

DB01394

DB08117

DivK1c_000753

EINECS 200-598-5

EU-0100310

FDA

Goutnil

HMS1569I07

HMS1920A08

HMS2091G16

HMS502F15

HSDB 3044

IDI1_000753

inhibits microtubular assembly

JAN

KBio1_000753

KBio2_001322

KBio2_003890

KBio2_006458

KBio3_001303

KBioGR_000856

KBioSS_001322

Kolkicin

LOC

LS-279

MEGxp0_001879

MFCD00001179

MFCD00078484

MLS001055448

MLS001055448-02

MLS001304089

MLS002153786

MolPort-001-742-594

MPC-004

N-((7S)-5,6,7,9-tetrahydro-1,2,3,10-tetramethoxy-9-oxobenzo(a)heptalen-7-yl)- acetamide

N-((S)-1,2,3,10-Tetramethoxy-9-oxo-5,6,7,9-tetrahydro-benzo[a]heptalen-7-yl)-acetamide

N-(1,2,3,10-Tetramethoxy-9-oxo-5,6,7,9-tetrahydro-benzo[a]heptalen-7-yl)-acetamide

N-(1,2,3,10-tetramethoxy-9-oxo-5,6,7,9-tetrahydrobenzo[a]heptalen-7-yl)acetamide

N-(5,6,7,9-Tetrahydro-1,2,3,10-tetramethoxy-9-oxobenzo(a)heptalen-7-yl)acetamide

N-(5,6,7,9-Tetrahydro-1,2,3,10-tetramethoxy-9-oxobenzo[.alpha.]heptalen-7-yl)-acetamide

N-Acetyl trimethylcolchicinic acid methylether

N-[(7S)-1,2,3,10-tetramethoxy-9-oxo-5,6,7,9-tetrahydrobenzo[a]heptalen-7-yl]acetamide

N-[(7S)-1,2,3,10-tetramethoxy-9-oxo-6,7-dihydro-5H-benzo[a]heptalen-7-yl]acetamide

N-[(7S)-5,6,7,9-tetrahydro-1,2,3,10-tetramethoxy-9-oxobenzo[a]heptalen-7-yl]acetamide

N-{3,4,5,14-tetramethoxy-13-oxotricyclo[9.5.0.0^{2,7}]hexadeca-1(16),2,4,6,11,14-hexaen-10-yl}acetamide

N1-(1,2,3,10-tetramethoxy-9-oxo-5,6,7,9-tetrahydrobenzo[a]heptalen-7-yl)acetamide

NCGC00025125-01

NCGC00025125-02

NCGC00025125-03

NCGC00025125-04

NCGC00025125-05

NCGC00025125-06

NCGC00025125-07

NCGC00025125-11

NCGC00169157-01

NCGC00169157-02

NCGC00169157-03

NChemBio.2007.10-comp20

nchembio853-comp2

NCI60_041659

NINDS_000753

NSC 757

NSC757

Prestwick0_000363

Prestwick1_000363

Prestwick2_000363

Prestwick3_000363

Prestwick_695

Proben-C

S2284_Selleck

SDCCGMLS-0066633.P001

SMR000058323

SPBio_000289

SPBio_002406

SPECTRUM1500205

Spectrum2_000075

Spectrum3_000362

Spectrum4_000298

Spectrum5_000787

Spectrum_000842

spindle poison

SS-8519

Tocris-1364

UNII-SML2Y3J35T

UPCMLD-DP065

UPCMLD-DP065:001

USP)

WLN: L B677 MV&T&J CO1 DO1 EO1 JMV1 NO1

ZINC00621853

Download: MOL2 SDF SMILES Flexibase

Annotations

Vendors

Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 1.10 7.99 -20.74 1 7 0 83 399.443 5

Vendor Notes

Note Type Comments Provided By
biological_source Chief alkaloid from Colchicum autumnale, many other Colchicum spp., several Merendera spp., Gloriosa superba and others (Liliaceae) ZereneX Building Blocks
Molecular_Solubility 4.695 Bitter DB
mechanism . ZereneX Building Blocks
Mp [°C] 150 - 160 Acros Organics
M.P 150-160 °C Indofine Natural Products
MP 150-160 °C (dec.)(lit.) Indofine
MP 155 - 157 Enamine Building Blocks
MP 155...157 Enamine Building Blocks
M.P 157C Indofine Natural Products
ALOGPS_SOLUBILITY 2.76e-02 g/l DrugBank-approved
purity 9.500000000000000e+001 Enamine Building Blocks Enamine Building Blocks
Therapy antimitotic, antigout agent SMDC Iconix
biological_use Antirheumatic IBScreen Bioactives
Melting_Point ca 150? dec. Alfa-Aesar
Melting_Point ca 150° dec. Alfa-Aesar
biological_use Cytostatic IBScreen Bioactives
Patent Database Links EP0970694; EP0984012; EP1104760; EP1229034; EP1438962; EP1516597; EP1574499; EP1669091; EP1698635; EP1757250; EP1780268; EP1788085; EP1808172; EP1813623; EP1870105; EP1889847; EP1947113; EP1967189; EP1982720; US2002037918; US2004097503; US2004132722; US20 ChEBI
Patent Database Links EP0970694; EP0984012; EP1104760; EP1229034; EP1438962; EP1516597; EP1574499; EP1669091; EP1698635; EP1757250; EP1780268; EP1808172; EP1813623; EP1870105; EP1889847; EP1947113; EP1967189; EP1982720; US2002037918; US2004097503; US2004132722; US2004171637; U ChEBI
mechanism Exact mechanism unknown IBScreen Bioactives
UniProt Database Links GENL2_ORYSJ; MEFV_HUMAN ChEBI
SOLUBILITY H2O: 10 mg/mL Indofine Natural Products
H phrase H300: Fatal if swallowed Acros Organics
H phrase H300: Fatal if swallowed; H340: May cause genetic defects Acros Organics
biological_use Immunosuppressive IBScreen Bioactives IBScreen Bioactives
mechanism Interferes with kinin formation IBScreen Bioactives
mechanism Leukocyte migration inhibitor IBScreen Bioactives IBScreen Bioactives
P phrase P301 + P310: IF SWALLOWED: Immediately call a POISON CENTER or doctor/physician Acros Organics
P phrase P301 + P310: IF SWALLOWED: Immediately call a POISON CENTER or doctor/physician; P201: Obtain special instructions before use; P308 + P313: IF exposed or concerned: Get medical advice/attention Acros Organics
mechanism Phagocytosis inhibitor IBScreen Bioactives
biological_use Potential HIV inhibitor IBScreen Bioactives
Target Prostaglandin E synthase(O14684)&Glucose-6-phosphate 1-dehydrogenase(P11413)&Aldehyde dehydrogenase, dimeric NADP-preferring(P30838)&Peroxisome proliferator-activated receptor gamma(P37231)&Transcription factor p65(Q04206)&Cytosolic phospholipase A2(P4771 Herbal Ingredients Targets
R phrase R46: May cause heritable genetic damage. Acros Organics
R phrase R46: May cause heritable genetic damage.; R28: Very toxic if swallowed. Acros Organics
Reactome Database Links REACT_15538; REACT_163726; REACT_22239; REACT_22289 ChEBI
mechanism Reduces phagocytosis with inflammatory IBScreen Bioactives
mechanism Response abatement IBScreen Bioactives
SOLUBILITY Soluble in chloroform Indofine Natural Products
Hazard T+: Very toxic Acros Organics
APPEARANCE White to yellow with a green cast Indofine Natural Products

Activity (Go SEA)

Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
Q862F3-2-E Tubulin Alpha Chain (cluster #2 Of 2), Eukaryotic Eukaryotes 2500 0.27 Binding ≤ 10μM
Q862L2-2-E Tubulin Alpha-1 Chain (cluster #2 Of 2), Eukaryotic Eukaryotes 2500 0.27 Binding ≤ 10μM
TBA1A-1-E Tubulin Alpha-3 Chain (cluster #1 Of 3), Eukaryotic Eukaryotes 5750 0.25 Binding ≤ 10μM
TBA4A-1-E Tubulin Alpha-1 Chain (cluster #1 Of 1), Eukaryotic Eukaryotes 2700 0.27 Binding ≤ 10μM
TBB-1-E Tubulin Beta Chain (cluster #1 Of 1), Eukaryotic Eukaryotes 1260 0.28 Binding ≤ 10μM
TBB1-1-E Tubulin Beta-1 Chain (cluster #1 Of 2), Eukaryotic Eukaryotes 800 0.29 Binding ≤ 10μM
TBB2B-1-E Tubulin Beta Chain (cluster #1 Of 1), Eukaryotic Eukaryotes 780 0.29 Binding ≤ 10μM
TBB3-1-E Tubulin Beta-3 Chain (cluster #1 Of 1), Eukaryotic Eukaryotes 5750 0.25 Binding ≤ 10μM
TBB4A-1-E Tubulin Beta-4 Chain (cluster #1 Of 1), Eukaryotic Eukaryotes 500 0.30 Binding ≤ 10μM
TBB4B-1-E Tubulin Beta-2 Chain (cluster #1 Of 1), Eukaryotic Eukaryotes 500 0.30 Binding ≤ 10μM
TBB5-1-E Tubulin Beta-5 Chain (cluster #1 Of 1), Eukaryotic Eukaryotes 5750 0.25 Binding ≤ 10μM
TBB8-1-E Tubulin Beta-8 Chain (cluster #1 Of 1), Eukaryotic Eukaryotes 500 0.30 Binding ≤ 10μM
TBG1-1-E Tubulin Gamma-1 Chain (cluster #1 Of 1), Eukaryotic Eukaryotes 5750 0.25 Binding ≤ 10μM
Q862F3-1-E Tubulin Alpha Chain (cluster #1 Of 2), Eukaryotic Eukaryotes 8700 0.24 Functional ≤ 10μM
Q862L2-1-E Tubulin Alpha-1 Chain (cluster #1 Of 2), Eukaryotic Eukaryotes 8700 0.24 Functional ≤ 10μM
TBA1A-1-E Tubulin Alpha-1 Chain (cluster #1 Of 2), Eukaryotic Eukaryotes 800 0.29 Functional ≤ 10μM
TBA4A-1-E Tubulin Alpha-1 Chain (cluster #1 Of 1), Eukaryotic Eukaryotes 1700 0.28 Functional ≤ 10μM
TBB1-1-E Tubulin Beta-1 Chain (cluster #1 Of 2), Eukaryotic Eukaryotes 800 0.29 Functional ≤ 10μM
TBB2B-1-E Tubulin Beta Chain (cluster #1 Of 2), Eukaryotic Eukaryotes 8700 0.24 Functional ≤ 10μM
TBB3-1-E Tubulin Beta-3 Chain (cluster #1 Of 3), Eukaryotic Eukaryotes 4200 0.26 Functional ≤ 10μM
TBB4A-1-E Tubulin Beta-4 Chain (cluster #1 Of 3), Eukaryotic Eukaryotes 4200 0.26 Functional ≤ 10μM
TBB4B-1-E Tubulin Beta-2 Chain (cluster #1 Of 3), Eukaryotic Eukaryotes 4200 0.26 Functional ≤ 10μM
TBB5-1-E Tubulin Beta-5 Chain (cluster #1 Of 1), Eukaryotic Eukaryotes 3300 0.26 Functional ≤ 10μM
TBB8-1-E Tubulin Beta-8 Chain (cluster #1 Of 3), Eukaryotic Eukaryotes 4200 0.26 Functional ≤ 10μM
Z101682-1-O BK Polyomavirus (cluster #1 Of 2), Other Other 22 0.37 Functional ≤ 10μM
Z103203-1-O A375 (cluster #1 Of 3), Other Other 20 0.37 Functional ≤ 10μM
Z103205-1-O A431 (cluster #1 Of 4), Other Other 53 0.35 Functional ≤ 10μM
Z50425-3-O Plasmodium Falciparum (cluster #3 Of 22), Other Other 10000 0.24 Functional ≤ 10μM
Z50590-1-O Sus Scrofa (cluster #1 Of 1), Other Other 1400 0.28 Functional ≤ 10μM
Z50607-1-O Human Immunodeficiency Virus 1 (cluster #1 Of 10), Other Other 18 0.37 Functional ≤ 10μM
Z80002-1-O 1A9 (Ovarian Adenocarcinoma Cells) (cluster #1 Of 2), Other Other 12 0.38 Functional ≤ 10μM
Z80024-1-O A9 (Fibroblast Cells) (cluster #1 Of 3), Other Other 14 0.38 Functional ≤ 10μM
Z80025-1-O ACHN (Renal Adenocarcinoma Cells) (cluster #1 Of 3), Other Other 40 0.36 Functional ≤ 10μM
Z80035-1-O B16 (Melanoma Cells) (cluster #1 Of 7), Other Other 31 0.36 Functional ≤ 10μM
Z80088-1-O CHO (Ovarian Cells) (cluster #1 Of 4), Other Other 220 0.32 Functional ≤ 10μM
Z80096-1-O CHO-TAX 5-6 (cluster #1 Of 2), Other Other 140 0.33 Functional ≤ 10μM
Z80097-1-O CHO-VV 3-2 (cluster #1 Of 2), Other Other 620 0.30 Functional ≤ 10μM
Z80120-1-O DLD-1 (Colon Adenocarcinoma Cells) (cluster #1 Of 5), Other Other 190 0.32 Functional ≤ 10μM
Z80125-1-O DU-145 (Prostate Carcinoma) (cluster #1 Of 9), Other Other 10 0.39 Functional ≤ 10μM
Z80156-1-O HL-60 (Promyeloblast Leukemia Cells) (cluster #1 Of 12), Other Other 53 0.35 Functional ≤ 10μM
Z80164-1-O HT-1080 (Fibrosarcoma Cells) (cluster #1 Of 6), Other Other 1 0.43 Functional ≤ 10μM
Z80166-1-O HT-29 (Colon Adenocarcinoma Cells) (cluster #1 Of 12), Other Other 22 0.37 Functional ≤ 10μM
Z80186-1-O K562 (Erythroleukemia Cells) (cluster #1 Of 11), Other Other 7 0.39 Functional ≤ 10μM
Z80193-2-O L1210 (Lymphocytic Leukemia Cells) (cluster #2 Of 12), Other Other 7 0.39 Functional ≤ 10μM
Z80211-1-O LoVo (Colon Adenocarcinoma Cells) (cluster #1 Of 5), Other Other 6 0.40 Functional ≤ 10μM
Z80224-1-O MCF7 (Breast Carcinoma Cells) (cluster #1 Of 14), Other Other 1900 0.28 Functional ≤ 10μM
Z80244-4-O MDA-MB-468 (Breast Adenocarcinoma) (cluster #4 Of 7), Other Other 7 0.39 Functional ≤ 10μM
Z80269-1-O MKN-45 (Gastric Adenocarcinoma Cells) (cluster #1 Of 3), Other Other 15 0.38 Functional ≤ 10μM
Z80354-1-O OVCAR-3 (Ovarian Adenocarcinoma Cells) (cluster #1 Of 4), Other Other 800 0.29 Functional ≤ 10μM
Z80362-1-O P388 (Lymphoma Cells) (cluster #1 Of 8), Other Other 10 0.39 Functional ≤ 10μM
Z80390-1-O PC-3 (Prostate Carcinoma Cells) (cluster #1 Of 10), Other Other 33 0.36 Functional ≤ 10μM
Z80414-1-O Raji (B-lymphoblastic Cells) (cluster #1 Of 3), Other Other 14 0.38 Functional ≤ 10μM
Z80427-1-O RKO (Colon Carcinoma) (cluster #1 Of 1), Other Other 20 0.37 Functional ≤ 10μM
Z80466-1-O SF268 (cluster #1 Of 4), Other Other 50 0.35 Functional ≤ 10μM
Z80475-1-O SK-BR-3 (Breast Adenocarcinoma) (cluster #1 Of 3), Other Other 5 0.40 Functional ≤ 10μM
Z80493-2-O SK-OV-3 (Ovarian Carcinoma Cells) (cluster #2 Of 6), Other Other 71 0.35 Functional ≤ 10μM
Z80526-1-O SW480 (Colon Adenocarcinoma Cells) (cluster #1 Of 6), Other Other 30 0.36 Functional ≤ 10μM
Z80566-1-O U-937 (Histiocytic Lymphoma Cells) (cluster #1 Of 2), Other Other 5 0.40 Functional ≤ 10μM
Z80583-1-O Vero (Kidney Cells) (cluster #1 Of 7), Other Other 390 0.31 Functional ≤ 10μM
Z80608-1-O ZR-75-1 (Breast Carcinoma Cells) (cluster #1 Of 4), Other Other 6 0.40 Functional ≤ 10μM
Z80682-1-O A549 (Lung Carcinoma Cells) (cluster #1 Of 11), Other Other 45 0.35 Functional ≤ 10μM
Z80711-1-O NCI/ADR-RES (Breast Carcinoma Cells) (cluster #1 Of 2), Other Other 1113 0.29 Functional ≤ 10μM
Z80712-2-O T47D (Breast Carcinoma Cells) (cluster #2 Of 7), Other Other 9 0.39 Functional ≤ 10μM
Z80720-1-O Burkitts Lymphoma Cells (cluster #1 Of 1), Other Other 50 0.35 Functional ≤ 10μM
Z80819-1-O J774.2 (cluster #1 Of 1), Other Other 52 0.35 Functional ≤ 10μM
Z80852-1-O A-431 (Epidermoid Carcinoma Cells) (cluster #1 Of 3), Other Other 3 0.41 Functional ≤ 10μM
Z80874-1-O CEM (T-cell Leukemia) (cluster #1 Of 7), Other Other 8 0.39 Functional ≤ 10μM
Z80928-3-O HCT-116 (Colon Carcinoma Cells) (cluster #3 Of 9), Other Other 40 0.36 Functional ≤ 10μM
Z81020-3-O HepG2 (Hepatoblastoma Cells) (cluster #3 Of 8), Other Other 50 0.35 Functional ≤ 10μM
Z81024-1-O NCI-H460 (Non-small Cell Lung Carcinoma) (cluster #1 Of 8), Other Other 70 0.35 Functional ≤ 10μM
Z81054-2-O SF-268 (Glioblastoma Cells) (cluster #2 Of 3), Other Other 50 0.35 Functional ≤ 10μM
Z81072-1-O Jurkat (Acute Leukemic T-cells) (cluster #1 Of 10), Other Other 17 0.38 Functional ≤ 10μM
Z81115-1-O KB (Squamous Cell Carcinoma) (cluster #1 Of 6), Other Other 6 0.40 Functional ≤ 10μM
Z81170-1-O LNCaP (Prostate Carcinoma) (cluster #1 Of 5), Other Other 20 0.37 Functional ≤ 10μM
Z81244-1-O J774 (Macrophage Cells) (cluster #1 Of 1), Other Other 93 0.34 Functional ≤ 10μM
Z81245-1-O MDA-MB-435 (Breast Carcinoma Cells) (cluster #1 Of 6), Other Other 7 0.39 Functional ≤ 10μM
Z81247-1-O HeLa (Cervical Adenocarcinoma Cells) (cluster #1 Of 9), Other Other 39 0.36 Functional ≤ 10μM
Z81252-3-O MDA-MB-231 (Breast Adenocarcinoma Cells) (cluster #3 Of 11), Other Other 70 0.35 Functional ≤ 10μM
Z81281-1-O NCI-H23 (Non-small Cell Lung Carcinoma Cells) (cluster #1 Of 5), Other Other 13 0.38 Functional ≤ 10μM
Z81283-1-O NCI-H522 (Non-small Cell Lung Carcinoma Cells) (cluster #1 Of 2), Other Other 14 0.38 Functional ≤ 10μM
Z81331-1-O SW-620 (Colon Adenocarcinoma Cells) (cluster #1 Of 6), Other Other 14 0.38 Functional ≤ 10μM
Z81335-2-O HCT-15 (Colon Adenocarcinoma Cells) (cluster #2 Of 5), Other Other 140 0.33 Functional ≤ 10μM
Z80583-1-O Vero (Kidney Cells) (cluster #1 Of 3), Other Other 530 0.30 ADME/T ≤ 10μM
Z80608-1-O ZR-75-1 (Breast Carcinoma Cells) (cluster #1 Of 1), Other Other 522 0.30 ADME/T ≤ 10μM
Z80897-1-O H9 (T-lymphoid Cells) (cluster #1 Of 2), Other Other 10 0.39 ADME/T ≤ 10μM
Z80928-1-O HCT-116 (Colon Carcinoma Cells) (cluster #1 Of 2), Other Other 3 0.41 ADME/T ≤ 10μM
Z81244-1-O J774 (Macrophage Cells) (cluster #1 Of 3), Other Other 210 0.32 ADME/T ≤ 10μM
Z81247-1-O HeLa (Cervical Adenocarcinoma Cells) (cluster #1 Of 3), Other Other 2 0.42 ADME/T ≤ 10μM
ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
TBA1A_PIG P02550 Tubulin Alpha Chain, Pig 800 0.29 Binding ≤ 1μM
TBA1A_RAT P68370 Tubulin Alpha-1 Chain, Rat 800 0.29 Binding ≤ 1μM
TBB2B_BOVIN Q6B856 Tubulin Beta Chain, Bovin 780 0.29 Binding ≤ 1μM
TBB1_HUMAN Q9H4B7 Tubulin Beta-1 Chain, Human 800 0.29 Binding ≤ 1μM
TBB4B_HUMAN P68371 Tubulin Beta-2 Chain, Human 500 0.30 Binding ≤ 1μM
TBB3_HUMAN Q13509 Tubulin Beta-3 Chain, Human 500 0.30 Binding ≤ 1μM
TBB4A_HUMAN P04350 Tubulin Beta-4 Chain, Human 500 0.30 Binding ≤ 1μM
TBB5_HUMAN P07437 Tubulin Beta-5 Chain, Human 500 0.30 Binding ≤ 1μM
TBB8_HUMAN Q3ZCM7 Tubulin Beta-8 Chain, Human 500 0.30 Binding ≤ 1μM
Q862F3_BOVIN Q862F3 Tubulin Alpha Chain, Bovin 1900 0.28 Binding ≤ 10μM
TBA1A_PIG P02550 Tubulin Alpha Chain, Pig 10000 0.24 Binding ≤ 10μM
TBA1A_RAT P68370 Tubulin Alpha-1 Chain, Rat 800 0.29 Binding ≤ 10μM
Q862L2_BOVIN Q862L2 Tubulin Alpha-1 Chain, Bovin 1900 0.28 Binding ≤ 10μM
TBA4A_HUMAN P68366 Tubulin Alpha-1 Chain, Human 2700 0.27 Binding ≤ 10μM
TBA1A_HUMAN Q71U36 Tubulin Alpha-3 Chain, Human 5750 0.25 Binding ≤ 10μM
TBB2B_BOVIN Q6B856 Tubulin Beta Chain, Bovin 1250 0.28 Binding ≤ 10μM
TBB_PIG P02554 Tubulin Beta Chain, Pig 10000 0.24 Binding ≤ 10μM
TBB2B_RAT Q3KRE8 Tubulin Beta Chain, Rat 5750 0.25 Binding ≤ 10μM
TBB1_HUMAN Q9H4B7 Tubulin Beta-1 Chain, Human 1400 0.28 Binding ≤ 10μM
TBB4B_HUMAN P68371 Tubulin Beta-2 Chain, Human 1400 0.28 Binding ≤ 10μM
TBB3_HUMAN Q13509 Tubulin Beta-3 Chain, Human 1400 0.28 Binding ≤ 10μM
TBB3_RAT Q4QRB4 Tubulin Beta-3 Chain, Rat 5750 0.25 Binding ≤ 10μM
TBB4A_HUMAN P04350 Tubulin Beta-4 Chain, Human 1400 0.28 Binding ≤ 10μM
TBB5_HUMAN P07437 Tubulin Beta-5 Chain, Human 500 0.30 Binding ≤ 10μM
TBB8_HUMAN Q3ZCM7 Tubulin Beta-8 Chain, Human 1400 0.28 Binding ≤ 10μM
TBG1_RAT P83888 Tubulin Gamma-1 Chain, Rat 5750 0.25 Binding ≤ 10μM
Z80002 Z80002 1A9 (Ovarian Adenocarcinoma Cells) 11.9 0.38 Functional ≤ 10μM
Z80852 Z80852 A-431 (Epidermoid Carcinoma Cells) 14 0.38 Functional ≤ 10μM
Z103203 Z103203 A375 20 0.37 Functional ≤ 10μM
Z103205 Z103205 A431 53.2 0.35 Functional ≤ 10μM
Z80682 Z80682 A549 (Lung Carcinoma Cells) 1000 0.29 Functional ≤ 10μM
Z80024 Z80024 A9 (Fibroblast Cells) 13.8 0.38 Functional ≤ 10μM
Z80025 Z80025 ACHN (Renal Adenocarcinoma Cells) 39.8 0.36 Functional ≤ 10μM
Z80035 Z80035 B16 (Melanoma Cells) 31 0.36 Functional ≤ 10μM
Z101682 Z101682 BK Polyomavirus 22 0.37 Functional ≤ 10μM
Z80720 Z80720 Burkitts Lymphoma Cells 50 0.35 Functional ≤ 10μM
Z80874 Z80874 CEM (T-cell Leukemia) 17.2 0.37 Functional ≤ 10μM
Z80088 Z80088 CHO (Ovarian Cells) 220 0.32 Functional ≤ 10μM
Z80096 Z80096 CHO-TAX 5-6 140 0.33 Functional ≤ 10μM
Z80097 Z80097 CHO-VV 3-2 620 0.30 Functional ≤ 10μM
Z80120 Z80120 DLD-1 (Colon Adenocarcinoma Cells) 190 0.32 Functional ≤ 10μM
Z80125 Z80125 DU-145 (Prostate Carcinoma) 10 0.39 Functional ≤ 10μM
Z80928 Z80928 HCT-116 (Colon Carcinoma Cells) 15 0.38 Functional ≤ 10μM
Z81335 Z81335 HCT-15 (Colon Adenocarcinoma Cells) 100 0.34 Functional ≤ 10μM
Z81247 Z81247 HeLa (Cervical Adenocarcinoma Cells) 1000 0.29 Functional ≤ 10μM
Z81020 Z81020 HepG2 (Hepatoblastoma Cells) 1900 0.28 Functional ≤ 10μM
Z80156 Z80156 HL-60 (Promyeloblast Leukemia Cells) 53 0.35 Functional ≤ 10μM
Z80164 Z80164 HT-1080 (Fibrosarcoma Cells) 1.1 0.43 Functional ≤ 10μM
Z80166 Z80166 HT-29 (Colon Adenocarcinoma Cells) 10 0.39 Functional ≤ 10μM
Z50607 Z50607 Human Immunodeficiency Virus 1 18 0.37 Functional ≤ 10μM
Z81244 Z81244 J774 (Macrophage Cells) 93.1 0.34 Functional ≤ 10μM
Z80819 Z80819 J774.2 228.3 0.32 Functional ≤ 10μM
Z81072 Z81072 Jurkat (Acute Leukemic T-cells) 17 0.38 Functional ≤ 10μM
Z80186 Z80186 K562 (Erythroleukemia Cells) 14.1 0.38 Functional ≤ 10μM
Z81115 Z81115 KB (Squamous Cell Carcinoma) 10 0.39 Functional ≤ 10μM
Z80193 Z80193 L1210 (Lymphocytic Leukemia Cells) 14.7 0.38 Functional ≤ 10μM
Z81170 Z81170 LNCaP (Prostate Carcinoma) 16 0.38 Functional ≤ 10μM
Z80211 Z80211 LoVo (Colon Adenocarcinoma Cells) 101 0.34 Functional ≤ 10μM
Z80224 Z80224 MCF7 (Breast Carcinoma Cells) 12 0.38 Functional ≤ 10μM
Z81252 Z81252 MDA-MB-231 (Breast Adenocarcinoma Cells) 1.8 0.42 Functional ≤ 10μM
Z81245 Z81245 MDA-MB-435 (Breast Carcinoma Cells) 2000 0.28 Functional ≤ 10μM
Z80244 Z80244 MDA-MB-468 (Breast Adenocarcinoma) 6.9 0.39 Functional ≤ 10μM
Z80269 Z80269 MKN-45 (Gastric Adenocarcinoma Cells) 15 0.38 Functional ≤ 10μM
Z81281 Z81281 NCI-H23 (Non-small Cell Lung Carcinoma Cells) 13 0.38 Functional ≤ 10μM
Z81024 Z81024 NCI-H460 (Non-small Cell Lung Carcinoma) 10 0.39 Functional ≤ 10μM
Z81283 Z81283 NCI-H522 (Non-small Cell Lung Carcinoma Cells) 14 0.38 Functional ≤ 10μM
Z80711 Z80711 NCI/ADR-RES (Breast Carcinoma Cells) 1113 0.29 Functional ≤ 10μM
Z80354 Z80354 OVCAR-3 (Ovarian Adenocarcinoma Cells) 800 0.29 Functional ≤ 10μM
Z80362 Z80362 P388 (Lymphoma Cells) 0.62 0.44 Functional ≤ 10μM
Z80390 Z80390 PC-3 (Prostate Carcinoma Cells) 10 0.39 Functional ≤ 10μM
Z50425 Z50425 Plasmodium Falciparum 10000 0.24 Functional ≤ 10μM
Z80414 Z80414 Raji (B-lymphoblastic Cells) 14 0.38 Functional ≤ 10μM
Z80427 Z80427 RKO (Colon Carcinoma) 10 0.39 Functional ≤ 10μM
Z81054 Z81054 SF-268 (Glioblastoma Cells) 25 0.37 Functional ≤ 10μM
Z80466 Z80466 SF268 10 0.39 Functional ≤ 10μM
Z80475 Z80475 SK-BR-3 (Breast Adenocarcinoma) 5 0.40 Functional ≤ 10μM
Z80493 Z80493 SK-OV-3 (Ovarian Carcinoma Cells) 10 0.39 Functional ≤ 10μM
Z50590 Z50590 Sus Scrofa 1400 0.28 Functional ≤ 10μM
Z81331 Z81331 SW-620 (Colon Adenocarcinoma Cells) 14 0.38 Functional ≤ 10μM
Z80526 Z80526 SW480 (Colon Adenocarcinoma Cells) 30 0.36 Functional ≤ 10μM
Z80712 Z80712 T47D (Breast Carcinoma Cells) 14 0.38 Functional ≤ 10μM
TBA1A_PIG P02550 Tubulin Alpha Chain, Pig 1500 0.28 Functional ≤ 10μM
Q862F3_BOVIN Q862F3 Tubulin Alpha Chain, Bovin 1700 0.28 Functional ≤ 10μM
TBA4A_HUMAN P68366 Tubulin Alpha-1 Chain, Human 1700 0.28 Functional ≤ 10μM
Q862L2_BOVIN Q862L2 Tubulin Alpha-1 Chain, Bovin 1700 0.28 Functional ≤ 10μM
TBA1A_RAT P68370 Tubulin Alpha-1 Chain, Rat 1400 0.28 Functional ≤ 10μM
TBB2B_BOVIN Q6B856 Tubulin Beta Chain, Bovin 1700 0.28 Functional ≤ 10μM
TBB1_HUMAN Q9H4B7 Tubulin Beta-1 Chain, Human 1400 0.28 Functional ≤ 10μM
TBB4B_HUMAN P68371 Tubulin Beta-2 Chain, Human 1500 0.28 Functional ≤ 10μM
TBB3_HUMAN Q13509 Tubulin Beta-3 Chain, Human 1500 0.28 Functional ≤ 10μM
TBB4A_HUMAN P04350 Tubulin Beta-4 Chain, Human 1500 0.28 Functional ≤ 10μM
TBB5_HUMAN P07437 Tubulin Beta-5 Chain, Human 3200 0.27 Functional ≤ 10μM
TBB8_HUMAN Q3ZCM7 Tubulin Beta-8 Chain, Human 1500 0.28 Functional ≤ 10μM
Z80566 Z80566 U-937 (Histiocytic Lymphoma Cells) 5.2 0.40 Functional ≤ 10μM
Z80583 Z80583 Vero (Kidney Cells) 270 0.32 Functional ≤ 10μM
Z80608 Z80608 ZR-75-1 (Breast Carcinoma Cells) 6 0.40 Functional ≤ 10μM
Z80897 Z80897 H9 (T-lymphoid Cells) 10 0.39 ADME/T ≤ 10μM
Z80928 Z80928 HCT-116 (Colon Carcinoma Cells) 2.75 0.41 ADME/T ≤ 10μM
Z81247 Z81247 HeLa (Cervical Adenocarcinoma Cells) 1.84 0.42 ADME/T ≤ 10μM
Z81244 Z81244 J774 (Macrophage Cells) 210 0.32 ADME/T ≤ 10μM
Z80583 Z80583 Vero (Kidney Cells) 530 0.30 ADME/T ≤ 10μM
Z80608 Z80608 ZR-75-1 (Breast Carcinoma Cells) 522 0.30 ADME/T ≤ 10μM

Direct Reactome Annotations (via ChEBI)

Description Species
Class C/3 (Metabotropic glutamate/pheromone receptors)
G alpha (i) signalling events

Reactome Annotations from Targets (via Uniprot)

Description Species
Formation of tubulin folding intermediates by CCT/TriC
Gap junction assembly
Kinesins
Loss of Nlp from mitotic centrosomes
Loss of proteins required for interphase microtubule organization from the ce
MHC class II antigen presentation
Microtubule-dependent trafficking of connexons from Golgi to the plasma membrane
Mitotic Prometaphase
Platelet degranulation
Post-chaperonin tubulin folding pathway
Prefoldin mediated transfer of substrate to CCT/TriC
Recruitment of mitotic centrosome proteins and complexes
Recruitment of NuMA to mitotic centrosomes
Recycling pathway of L1
Regulation of PLK1 Activity at G2/M Transition
Resolution of Sister Chromatid Cohesion
Separation of Sister Chromatids
Translocation of GLUT4 to the plasma membrane

Analogs ( Draw Identity 99% 90% 80% 70% )