UCSF

ZINC06920406

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Substance Information

In ZINC since Heavy atoms Benign functionality
May 2nd, 2006 33 Yes

Popular Name: METHOTREXATE(+/-) METHOTREXATE(+/-)

Find On: PubMed — Wikipedia — Google

CAS Numbers: , 432545-63-6 , 59-05-2 , 60388-53-6 , [59-05-2]

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) -1.97 6.03 -126.53 5 13 -2 216 452.431 9 ↓
Lo Low (pH 4.5-6) -1.97 6.57 -124.3 6 13 -1 217 453.439 9 ↓

Vendor Notes

Note Type Comments Provided By
Therapy antineoplastic, antirheumatic, folic acid antagonist SMDC Pharmakon

Activity (Go SEA)

Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
B0BL08-1-B Dihydrofolate Reductase (cluster #1 Of 1), Bacterial Bacteria 9 0.34 Binding ≤ 10μM
DYR-1-B Dihydrofolate Reductase (cluster #1 Of 4), Bacterial Bacteria 9 0.34 Binding ≤ 10μM
DYR1-1-B Dihydrofolate Reductase Type 1 (cluster #1 Of 1), Bacterial Bacteria 9 0.34 Binding ≤ 10μM
Q81R22-1-B Dihydrofolate Reductase (cluster #1 Of 1), Bacterial Bacteria 15 0.33 Binding ≤ 10μM
TYSY-1-B Thymidylate Synthase (cluster #1 Of 1), Bacterial Bacteria 1800 0.24 Binding ≤ 10μM
DYR-1-B Dihydrofolate Reductase (cluster #1 Of 1), Bacterial Bacteria 26 0.32 Functional ≤ 10μM
DRTS-1-E Bifunctional Dihydrofolate Reductase-thymidylate Synthase (cluster #1 Of 3), Eukaryotic Eukaryotes 33 0.32 Binding ≤ 10μM
DYR-1-E Dihydrofolate Reductase (cluster #1 Of 3), Eukaryotic Eukaryotes 5 0.35 Binding ≤ 10μM
FOLC-1-E Folylpoly-gamma-glutamate Synthetase (cluster #1 Of 1), Eukaryotic Eukaryotes 3200 0.23 Binding ≤ 10μM
PTR1-1-E Pteridine Reductase 1 (cluster #1 Of 1), Eukaryotic Eukaryotes 39 0.31 Binding ≤ 10μM
S19A1-1-E Folate Transporter 1 (cluster #1 Of 1), Eukaryotic Eukaryotes 3500 0.23 Binding ≤ 10μM
TYSY-1-E Thymidylate Synthase (cluster #1 Of 3), Eukaryotic Eukaryotes 3600 0.23 Binding ≤ 10μM
DYR-1-F Dihydrofolate Reductase (cluster #1 Of 1), Fungal Fungi 880 0.26 Binding ≤ 10μM
Z103204-2-O A427 (cluster #2 Of 4), Other Other 5520 0.22 Functional ≤ 10μM
Z50266-1-O Enterococcus Faecium (cluster #1 Of 1), Other Other 90 0.30 Functional ≤ 10μM
Z50362-1-O Lactobacillus Casei (cluster #1 Of 1), Other Other 6 0.35 Functional ≤ 10μM
Z50425-3-O Plasmodium Falciparum (cluster #3 Of 22), Other Other 85 0.30 Functional ≤ 10μM
Z50587-1-O Homo Sapiens (cluster #1 Of 9), Other Other 6600 0.22 Functional ≤ 10μM
Z50594-1-O Mus Musculus (cluster #1 Of 9), Other Other 4200 0.23 Functional ≤ 10μM
Z80001-1-O 143B (cluster #1 Of 2), Other Other 9 0.34 Functional ≤ 10μM
Z80008-1-O 5637 (Epithelial Bladder Carcinoma Cells) (cluster #1 Of 3), Other Other 16 0.33 Functional ≤ 10μM
Z80025-1-O ACHN (Renal Adenocarcinoma Cells) (cluster #1 Of 3), Other Other 40 0.31 Functional ≤ 10μM
Z80054-1-O Caco-2 (Colon Adenocarcinoma Cells) (cluster #1 Of 4), Other Other 1100 0.25 Functional ≤ 10μM
Z80063-1-O CCRF S-180 (cluster #1 Of 1), Other Other 10 0.34 Functional ≤ 10μM
Z80064-1-O CCRF-CEM (T-cell Leukemia) (cluster #1 Of 9), Other Other 8 0.34 Functional ≤ 10μM
Z80099-1-O COLO 205 (Colon Adenocarcinoma Cells) (cluster #1 Of 3), Other Other 870 0.26 Functional ≤ 10μM
Z80112-1-O DAN-G (cluster #1 Of 2), Other Other 77 0.30 Functional ≤ 10μM
Z80125-1-O DU-145 (Prostate Carcinoma) (cluster #1 Of 9), Other Other 45 0.31 Functional ≤ 10μM
Z80156-2-O HL-60 (Promyeloblast Leukemia Cells) (cluster #2 Of 12), Other Other 8 0.34 Functional ≤ 10μM
Z80166-12-O HT-29 (Colon Adenocarcinoma Cells) (cluster #12 Of 12), Other Other 4400 0.23 Functional ≤ 10μM
Z80171-1-O HuTu80 (cluster #1 Of 1), Other Other 9 0.34 Functional ≤ 10μM
Z80186-1-O K562 (Erythroleukemia Cells) (cluster #1 Of 11), Other Other 26 0.32 Functional ≤ 10μM
Z80192-1-O KM12 (Colon Adenocarcinoma Cells) (cluster #1 Of 4), Other Other 42 0.31 Functional ≤ 10μM
Z80193-2-O L1210 (Lymphocytic Leukemia Cells) (cluster #2 Of 12), Other Other 10 0.34 Functional ≤ 10μM
Z80214-1-O M14 (Melanoma Cells) (cluster #1 Of 3), Other Other 32 0.32 Functional ≤ 10μM
Z80224-1-O MCF7 (Breast Carcinoma Cells) (cluster #1 Of 14), Other Other 900 0.26 Functional ≤ 10μM
Z80227-1-O MCF7-ADR (Breast Carcinoma Cells) (cluster #1 Of 2), Other Other 78 0.30 Functional ≤ 10μM
Z80285-2-O MOLT-4 (Acute T-lymphoblastic Leukemia Cells) (cluster #2 Of 4), Other Other 28 0.32 Functional ≤ 10μM
Z80354-1-O OVCAR-3 (Ovarian Adenocarcinoma Cells) (cluster #1 Of 4), Other Other 400 0.27 Functional ≤ 10μM
Z80356-1-O OVCAR-5 (Ovarian Adenocarcinoma Cells) (cluster #1 Of 2), Other Other 980 0.25 Functional ≤ 10μM
Z80357-1-O OVCAR-8 (Ovarian Adenocarcinoma Cells) (cluster #1 Of 1), Other Other 31 0.32 Functional ≤ 10μM
Z80362-8-O P388 (Lymphoma Cells) (cluster #8 Of 8), Other Other 66 0.30 Functional ≤ 10μM
Z80390-3-O PC-3 (Prostate Carcinoma Cells) (cluster #3 Of 10), Other Other 27 0.32 Functional ≤ 10μM
Z80407-1-O R1 (cluster #1 Of 1), Other Other 720 0.26 Functional ≤ 10μM
Z80408-1-O R1-CCRF-CEM (Lymphoblastic Leukemia) (cluster #1 Of 1), Other Other 985 0.25 Functional ≤ 10μM
Z80409-1-O R2 (cluster #1 Of 1), Other Other 2600 0.24 Functional ≤ 10μM
Z80410-1-O R2-CCRF-CEM (Lymphoblastic Leukemia) (cluster #1 Of 1), Other Other 2630 0.24 Functional ≤ 10μM
Z80411-1-O R30dm-CCRF-CEM (Lymphoblastic Leukemia) (cluster #1 Of 1), Other Other 18 0.33 Functional ≤ 10μM
Z80433-1-O RPMI-8226 (Multiple Myeloma Cells) (cluster #1 Of 3), Other Other 33 0.32 Functional ≤ 10μM
Z80443-1-O S180 (Sarcoma Cells) (cluster #1 Of 1), Other Other 5 0.35 Functional ≤ 10μM
Z80455-1-O SCC-15 (cluster #1 Of 1), Other Other 580 0.26 Functional ≤ 10μM
Z80457-1-O SCC-25 (cluster #1 Of 1), Other Other 8 0.34 Functional ≤ 10μM
Z80459-1-O SCC-7 (cluster #1 Of 1), Other Other 6 0.35 Functional ≤ 10μM
Z80468-1-O SF-295 (Glioblastoma Cells) (cluster #1 Of 2), Other Other 36 0.32 Functional ≤ 10μM
Z80488-2-O SK-MEL-5 (Melanoma Cells) (cluster #2 Of 3), Other Other 87 0.30 Functional ≤ 10μM
Z80526-1-O SW480 (Colon Adenocarcinoma Cells) (cluster #1 Of 6), Other Other 15 0.33 Functional ≤ 10μM
Z80560-1-O U-251 (Glioma Cells) (cluster #1 Of 3), Other Other 63 0.31 Functional ≤ 10μM
Z80563-1-O U-373 MG ( Glioblastoma Cells) (cluster #1 Of 1), Other Other 12 0.34 Functional ≤ 10μM
Z80565-1-O U-87 MG (Glioblastoma Cells) (cluster #1 Of 2), Other Other 22 0.32 Functional ≤ 10μM
Z80568-1-O UACC-257 (Melanoma Cells) (cluster #1 Of 1), Other Other 790 0.26 Functional ≤ 10μM
Z80570-3-O UACC-62 (Melanoma Cells) (cluster #3 Of 3), Other Other 28 0.32 Functional ≤ 10μM
Z80575-1-O UO-31 (Renal Carcinoma Cells) (cluster #1 Of 3), Other Other 191 0.29 Functional ≤ 10μM
Z80583-1-O Vero (Kidney Cells) (cluster #1 Of 7), Other Other 9 0.34 Functional ≤ 10μM
Z80640-1-O 786-0 (Renal Carcinoma Cells) (cluster #1 Of 1), Other Other 33 0.32 Functional ≤ 10μM
Z80657-1-O A253 Cell Line (cluster #1 Of 1), Other Other 3000 0.23 Functional ≤ 10μM
Z80682-11-O A549 (Lung Carcinoma Cells) (cluster #11 Of 11), Other Other 5 0.35 Functional ≤ 10μM
Z80711-1-O NCI/ADR-RES (Breast Carcinoma Cells) (cluster #1 Of 2), Other Other 78 0.30 Functional ≤ 10μM
Z80752-1-O Carcinoma Cell Line (cluster #1 Of 1), Other Other 15 0.33 Functional ≤ 10μM
Z80789-1-O Colon 38 (cluster #1 Of 1), Other Other 66 0.30 Functional ≤ 10μM
Z80815-1-O D54 Cell Line (cluster #1 Of 1), Other Other 16 0.33 Functional ≤ 10μM
Z80830-1-O Ehrlich (Ehrlich Ascites Carcinoma Cells) (cluster #1 Of 1), Other Other 13 0.33 Functional ≤ 10μM
Z80847-1-O FaDu (Pharyngeal Carcinoma Cells) (cluster #1 Of 3), Other Other 31 0.32 Functional ≤ 10μM
Z80874-1-O CEM (T-cell Leukemia) (cluster #1 Of 7), Other Other 9740 0.21 Functional ≤ 10μM
Z80890-1-O H350.3 (MTX-resistant Reuber Hepatoma Cells) (cluster #1 Of 1), Other Other 906 0.26 Functional ≤ 10μM
Z80893-1-O H35 (Reuber Hepatoma Cells) (cluster #1 Of 1), Other Other 10 0.34 Functional ≤ 10μM
Z80920-1-O HCC 2998 (Colon Adenocarcinoma Cells) (cluster #1 Of 2), Other Other 110 0.30 Functional ≤ 10μM
Z80928-3-O HCT-116 (Colon Carcinoma Cells) (cluster #3 Of 9), Other Other 30 0.32 Functional ≤ 10μM
Z81017-1-O WiDr (Colon Adenocarcinoma Cells) (cluster #1 Of 5), Other Other 25 0.32 Functional ≤ 10μM
Z81024-1-O NCI-H460 (Non-small Cell Lung Carcinoma) (cluster #1 Of 8), Other Other 10 0.34 Functional ≤ 10μM
Z81054-1-O SF-268 (Glioblastoma Cells) (cluster #1 Of 3), Other Other 52 0.31 Functional ≤ 10μM
Z81065-1-O IGROV-1 (Ovarian Adenocarcinoma Cells) (cluster #1 Of 3), Other Other 65 0.30 Functional ≤ 10μM
Z81115-2-O KB (Squamous Cell Carcinoma) (cluster #2 Of 6), Other Other 6 0.35 Functional ≤ 10μM
Z81184-1-O LOX IMVI (Melanoma Cells) (cluster #1 Of 5), Other Other 26 0.32 Functional ≤ 10μM
Z81247-1-O HeLa (Cervical Adenocarcinoma Cells) (cluster #1 Of 9), Other Other 100 0.30 Functional ≤ 10μM
Z81281-1-O NCI-H23 (Non-small Cell Lung Carcinoma Cells) (cluster #1 Of 5), Other Other 43 0.31 Functional ≤ 10μM
Z81283-1-O NCI-H522 (Non-small Cell Lung Carcinoma Cells) (cluster #1 Of 2), Other Other 450 0.27 Functional ≤ 10μM
Z81322-1-O SF-539 (Glioblastoma Cells) (cluster #1 Of 2), Other Other 35 0.32 Functional ≤ 10μM
Z81325-1-O SR (Leukemia Cells) (cluster #1 Of 2), Other Other 33 0.32 Functional ≤ 10μM
Z81331-1-O SW-620 (Colon Adenocarcinoma Cells) (cluster #1 Of 6), Other Other 33 0.32 Functional ≤ 10μM
Z81335-1-O HCT-15 (Colon Adenocarcinoma Cells) (cluster #1 Of 5), Other Other 30 0.32 Functional ≤ 10μM
Z80409-1-O R2 (cluster #1 Of 1), Other Other 216 0.28 ADME/T ≤ 10μM
ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
DYR_RAT Q920D2 Dihydrofolate Reductase, Rat 0.1 0.42 Binding ≤ 1μM
DYR_HUMAN P00374 Dihydrofolate Reductase, Human 0.1 0.42 Binding ≤ 1μM
Q81R22_BACAN Q81R22 Dihydrofolate Reductase, Bacan 12.2 0.34 Binding ≤ 1μM
B0BL08_ECOLX B0BL08 Dihydrofolate Reductase, Ecolx 8.8 0.34 Binding ≤ 1μM
DRTS_TOXGO Q07422 Dihydrofolate Reductase, Toxgo 1.4 0.38 Binding ≤ 1μM
DYR_PNECA P16184 Dihydrofolate Reductase, Pneca 0.1 0.42 Binding ≤ 1μM
DYR_ECOLI P0ABQ4 Dihydrofolate Reductase, Ecoli 0.1 0.42 Binding ≤ 1μM
DYR_LACCA P00381 Dihydrofolate Reductase, Lacca 0.1 0.42 Binding ≤ 1μM
DYR_CHICK P00378 Dihydrofolate Reductase, Chick 19 0.33 Binding ≤ 1μM
DYR_BOVIN P00376 Dihydrofolate Reductase, Bovin 80 0.30 Binding ≤ 1μM
DYR_MOUSE P00375 Dihydrofolate Reductase, Mouse 0.1 0.42 Binding ≤ 1μM
DYR1_ECOLX P00382 Dihydrofolate Reductase Type 1, Ecolx 6.6 0.35 Binding ≤ 1μM
PTR1_LEIMA Q01782 Pteridine Reductase 1, Leima 39 0.31 Binding ≤ 1μM
DYR_RAT Q920D2 Dihydrofolate Reductase, Rat 0.1 0.42 Binding ≤ 10μM
DYR_LACCA P00381 Dihydrofolate Reductase, Lacca 0.1 0.42 Binding ≤ 10μM
Q81R22_BACAN Q81R22 Dihydrofolate Reductase, Bacan 12.2 0.34 Binding ≤ 10μM
DYR_CHICK P00378 Dihydrofolate Reductase, Chick 19 0.33 Binding ≤ 10μM
DRTS_TOXGO Q07422 Dihydrofolate Reductase, Toxgo 1.4 0.38 Binding ≤ 10μM
DYR_BOVIN P00376 Dihydrofolate Reductase, Bovin 80 0.30 Binding ≤ 10μM
DYR_MOUSE P00375 Dihydrofolate Reductase, Mouse 0.1 0.42 Binding ≤ 10μM
DYR_HUMAN P00374 Dihydrofolate Reductase, Human 0.1 0.42 Binding ≤ 10μM
B0BL08_ECOLX B0BL08 Dihydrofolate Reductase, Ecolx 8.8 0.34 Binding ≤ 10μM
DYR_PNECA P16184 Dihydrofolate Reductase, Pneca 0.1 0.42 Binding ≤ 10μM
DYR_ECOLI P0ABQ4 Dihydrofolate Reductase, Ecoli 0.1 0.42 Binding ≤ 10μM
DYR1_ECOLX P00382 Dihydrofolate Reductase Type 1, Ecolx 6.6 0.35 Binding ≤ 10μM
S19A1_HUMAN P41440 Folate Transporter 1, Human 3500 0.23 Binding ≤ 10μM
FOLC_HUMAN Q05932 Folylpoly-gamma-glutamate Synthetase, Human 3200 0.23 Binding ≤ 10μM
PTR1_LEIMA Q01782 Pteridine Reductase 1, Leima 39 0.31 Binding ≤ 10μM
TYSY_ECOLI P0A884 Thymidylate Synthase, Ecoli 1800 0.24 Binding ≤ 10μM
TYSY_HUMAN P04818 Thymidylate Synthase, Human 3600 0.23 Binding ≤ 10μM
Z80001 Z80001 143B 8.8 0.34 Functional ≤ 10μM
Z80008 Z80008 5637 (Epithelial Bladder Carcinoma Cells) 16 0.33 Functional ≤ 10μM
Z80640 Z80640 786-0 (Renal Carcinoma Cells) 33 0.32 Functional ≤ 10μM
Z80657 Z80657 A253 Cell Line 13 0.33 Functional ≤ 10μM
Z103204 Z103204 A427 5520 0.22 Functional ≤ 10μM
Z80682 Z80682 A549 (Lung Carcinoma Cells) 100 0.30 Functional ≤ 10μM
Z80025 Z80025 ACHN (Renal Adenocarcinoma Cells) 40 0.31 Functional ≤ 10μM
Z80054 Z80054 Caco-2 (Colon Adenocarcinoma Cells) 1100 0.25 Functional ≤ 10μM
Z80752 Z80752 Carcinoma Cell Line 13.8 0.33 Functional ≤ 10μM
Z80063 Z80063 CCRF S-180 10 0.34 Functional ≤ 10μM
Z80064 Z80064 CCRF-CEM (T-cell Leukemia) 10.5 0.34 Functional ≤ 10μM
Z80874 Z80874 CEM (T-cell Leukemia) 25 0.32 Functional ≤ 10μM
Z80099 Z80099 COLO 205 (Colon Adenocarcinoma Cells) 870 0.26 Functional ≤ 10μM
Z80789 Z80789 Colon 38 66 0.30 Functional ≤ 10μM
Z80815 Z80815 D54 Cell Line 16 0.33 Functional ≤ 10μM
Z80112 Z80112 DAN-G 77 0.30 Functional ≤ 10μM
DYR_LACCA P00381 Dihydrofolate Reductase, Lacca 12 0.34 Functional ≤ 10μM
Z80125 Z80125 DU-145 (Prostate Carcinoma) 23 0.32 Functional ≤ 10μM
Z80830 Z80830 Ehrlich (Ehrlich Ascites Carcinoma Cells) 12.6 0.34 Functional ≤ 10μM
Z50266 Z50266 Enterococcus Faecium 0.3 0.40 Functional ≤ 10μM
Z80847 Z80847 FaDu (Pharyngeal Carcinoma Cells) 11.3 0.34 Functional ≤ 10μM
Z80893 Z80893 H35 (Reuber Hepatoma Cells) 10 0.34 Functional ≤ 10μM
Z80890 Z80890 H350.3 (MTX-resistant Reuber Hepatoma Cells) 1800 0.24 Functional ≤ 10μM
Z80920 Z80920 HCC 2998 (Colon Adenocarcinoma Cells) 110 0.30 Functional ≤ 10μM
Z80928 Z80928 HCT-116 (Colon Carcinoma Cells) 30 0.32 Functional ≤ 10μM
Z81335 Z81335 HCT-15 (Colon Adenocarcinoma Cells) 30 0.32 Functional ≤ 10μM
Z81247 Z81247 HeLa (Cervical Adenocarcinoma Cells) 100 0.30 Functional ≤ 10μM
Z80156 Z80156 HL-60 (Promyeloblast Leukemia Cells) 0.1 0.42 Functional ≤ 10μM
Z50587 Z50587 Homo Sapiens 0.1 0.42 Functional ≤ 10μM
Z80166 Z80166 HT-29 (Colon Adenocarcinoma Cells) 18 0.33 Functional ≤ 10μM
Z80171 Z80171 HuTu80 4.5 0.35 Functional ≤ 10μM
Z81065 Z81065 IGROV-1 (Ovarian Adenocarcinoma Cells) 65 0.30 Functional ≤ 10μM
Z80186 Z80186 K562 (Erythroleukemia Cells) 26 0.32 Functional ≤ 10μM
Z81115 Z81115 KB (Squamous Cell Carcinoma) 19 0.33 Functional ≤ 10μM
Z80192 Z80192 KM12 (Colon Adenocarcinoma Cells) 33 0.32 Functional ≤ 10μM
Z80193 Z80193 L1210 (Lymphocytic Leukemia Cells) 0.1 0.42 Functional ≤ 10μM
Z50362 Z50362 Lactobacillus Casei 0.1 0.42 Functional ≤ 10μM
Z81184 Z81184 LOX IMVI (Melanoma Cells) 26 0.32 Functional ≤ 10μM
Z80214 Z80214 M14 (Melanoma Cells) 32 0.32 Functional ≤ 10μM
Z80224 Z80224 MCF7 (Breast Carcinoma Cells) 36 0.32 Functional ≤ 10μM
Z80227 Z80227 MCF7-ADR (Breast Carcinoma Cells) 78 0.30 Functional ≤ 10μM
Z80285 Z80285 MOLT-4 (Acute T-lymphoblastic Leukemia Cells) 0.1 0.42 Functional ≤ 10μM
Z50594 Z50594 Mus Musculus 0.1 0.42 Functional ≤ 10μM
Z81281 Z81281 NCI-H23 (Non-small Cell Lung Carcinoma Cells) 43 0.31 Functional ≤ 10μM
Z81024 Z81024 NCI-H460 (Non-small Cell Lung Carcinoma) 28 0.32 Functional ≤ 10μM
Z81283 Z81283 NCI-H522 (Non-small Cell Lung Carcinoma Cells) 229 0.28 Functional ≤ 10μM
Z80711 Z80711 NCI/ADR-RES (Breast Carcinoma Cells) 78 0.30 Functional ≤ 10μM
Z80354 Z80354 OVCAR-3 (Ovarian Adenocarcinoma Cells) 398 0.27 Functional ≤ 10μM
Z80356 Z80356 OVCAR-5 (Ovarian Adenocarcinoma Cells) 980 0.25 Functional ≤ 10μM
Z80357 Z80357 OVCAR-8 (Ovarian Adenocarcinoma Cells) 31 0.32 Functional ≤ 10μM
Z80362 Z80362 P388 (Lymphoma Cells) 223 0.28 Functional ≤ 10μM
Z80390 Z80390 PC-3 (Prostate Carcinoma Cells) 1 0.38 Functional ≤ 10μM
Z50425 Z50425 Plasmodium Falciparum 0.1 0.42 Functional ≤ 10μM
Z80407 Z80407 R1 1050 0.25 Functional ≤ 10μM
Z80408 Z80408 R1-CCRF-CEM (Lymphoblastic Leukemia) 565 0.27 Functional ≤ 10μM
Z80409 Z80409 R2 121 0.29 Functional ≤ 10μM
Z80410 Z80410 R2-CCRF-CEM (Lymphoblastic Leukemia) 1700 0.24 Functional ≤ 10μM
Z80411 Z80411 R30dm-CCRF-CEM (Lymphoblastic Leukemia) 12.8 0.33 Functional ≤ 10μM
Z80433 Z80433 RPMI-8226 (Multiple Myeloma Cells) 33 0.32 Functional ≤ 10μM
Z80443 Z80443 S180 (Sarcoma Cells) 5.4 0.35 Functional ≤ 10μM
Z80455 Z80455 SCC-15 38 0.31 Functional ≤ 10μM
Z80457 Z80457 SCC-25 150 0.29 Functional ≤ 10μM
Z80459 Z80459 SCC-7 5.8 0.35 Functional ≤ 10μM
Z81054 Z81054 SF-268 (Glioblastoma Cells) 52 0.31 Functional ≤ 10μM
Z80468 Z80468 SF-295 (Glioblastoma Cells) 36 0.32 Functional ≤ 10μM
Z81322 Z81322 SF-539 (Glioblastoma Cells) 35 0.32 Functional ≤ 10μM
Z80488 Z80488 SK-MEL-5 (Melanoma Cells) 87 0.30 Functional ≤ 10μM
Z81325 Z81325 SR (Leukemia Cells) 33 0.32 Functional ≤ 10μM
Z81331 Z81331 SW-620 (Colon Adenocarcinoma Cells) 33 0.32 Functional ≤ 10μM
Z80526 Z80526 SW480 (Colon Adenocarcinoma Cells) 15 0.33 Functional ≤ 10μM
Z80560 Z80560 U-251 (Glioma Cells) 63 0.31 Functional ≤ 10μM
Z80563 Z80563 U-373 MG ( Glioblastoma Cells) 12 0.34 Functional ≤ 10μM
Z80565 Z80565 U-87 MG (Glioblastoma Cells) 22 0.32 Functional ≤ 10μM
Z80568 Z80568 UACC-257 (Melanoma Cells) 790 0.26 Functional ≤ 10μM
Z80570 Z80570 UACC-62 (Melanoma Cells) 28 0.32 Functional ≤ 10μM
Z80575 Z80575 UO-31 (Renal Carcinoma Cells) 191 0.29 Functional ≤ 10μM
Z80583 Z80583 Vero (Kidney Cells) 9.2 0.34 Functional ≤ 10μM
Z81017 Z81017 WiDr (Colon Adenocarcinoma Cells) 25 0.32 Functional ≤ 10μM
Z80409 Z80409 R2 216 0.28 ADME/T ≤ 10μM

Reactome Annotations from Targets (via Uniprot)

Description Species
E2F mediated regulation of DNA replication
G1/S-Specific Transcription
Metabolism of folate and pterines
Pyrimidine biosynthesis
Tetrahydrobiopterin (BH4) synthesis, recycling, salvage and regulation

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