UCSF

ZINC00491073

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
September 26th, 2005 21 Yes

Popular Name: Galanthamine hydrobromide Galanthamine hydrobromide

Find On: PubMed — Wikipedia — Google

CAS Numbers: 1953-04-4 , 357-70-0 , 357-70-0, 1953-04-4 [hydrobromide] , 5072-47-9 , 69353-21-5 , [357-70-0]

Other Names:

(-)-Galanthamine

(-)-Galanthamine; (4aS,6R,8aS)-4a,5,9,10,11,12-Hexahydro-3-methoxy-11-methyl-6H-benzofuro(3a,3,2-ef)(2)benzazepin-6-ol; 6H-Benzofuro(3a,3,2-ef)(2)benzazepin-6-ol, 4a,5,9,10,11,12-hexahydro-3-methoxy-11-methyl-, (4aS,6R,8aS)-; BRN 0093736; C17H21NO3; Galan

(-)-Galanthamine;Galanthamine;Galanthamine hydrobromide

(4aS,6R,8aS)-4a,5,9,10,11,12-Hexahydro-3-methoxy-11-methyl-6H-benzofuro(3a,3,2-ef)(2)benzazepin-6-ol

(4aS,6R,8aS)-4a,5,9,10,11,12-hexahydro-3-methoxy-11-methyl-6H-benzofuro(3a,3,2-ef)(2)benzazepin-6-ol hydrobromide; 1,2,3,4,6,7,7a,11c-Octahydro-9-methoxy-2-methyl-benzofuro(4,3,2-efg)(2)benzazocin-6-ol HBr; 6H-Benzofuro(3a,3,2-ef)(2)benzazepin-6-ol, 4a,5,

(4aS,6R,8aS)-4a,5,9,10,11,12-Hexahydro-3-methoxy-11-methyl-6H-benzofuro[3a,3,2-ef][2]benzazepin-6-ol

1551-02-6

1953-04-4

1953-04-4; D02173; Galantamine hydrobromide (JAN/USAN); Razadyne (TN); Reminyl (TN)

1953-04-4; Galanthamine hydrobromide; Prestwick_236

1dx6

1qti

357-70-0

357-70-0; C08526; Galantamine; Galanthamine

357-70-0; D04292; Galantamine (USAN/INN); Reminyl (TN)

4-27-00-02184 (Beilstein Handbook Reference)

6H-Benzofuro(3a,3,2-ef)(2)benzazepin-6-ol, 4a,5,9,10,11,12-hexahydro-3-methoxy-11-methyl-, (4aS,6R,8aS)-

6H-Benzofuro[3a,3,2-ef][2]benzazepin-6-ol, 4a,5,9,10,11,12-hexahydro-3-methoxy-11-methyl-, (4aS,6R,8aS)-

736-79-8

AC-20240

AC1L1TIM

ASUTZQLVASHGKV-JDFRZJQESA-

BAN

BIDD:GT0517

BPBio1_000480

BRD-K49481516-004-03-5

BRD-K49481516-004-04-3

BRN 0093736

BSPBio_000436

BSPBio_003416

C08526

CHEBI:42935; CHEBI:5264

CHEBI:42944

CHEMBL659

CID9651

CPD000449267; Galanthamine

CPD000449267; Galanthamine; SAM001246978

D04292

DAP000559

DivK1c_000590

DNC013678

FDA)

Galantamin

Galantamina

Galantamina [INN-Spanish]

Galantamine

Galantamine (BAN

Galantamine (MI

Galantamine (USAN/INN)

Galantamine Hydrobromide

Galantamine [USAN:INN]

Galantamine, 98%+

Galantaminum

Galantaminum [INN-Latin]

Galanthamine

Galanthamine ( Jilkon, Lycoremine, Nivalin and oth

Galanthamine hydrochloride

Galanthamine.HBr

Galanthaminehydrobromide

Galanthaminum

GNT

GP-37267

HMS2089H03

HSDB 7361

IDI1_000590

InChI=1/C17H21NO3/c1-18-8-7-17-6-5-12(19)9-14(17)21-16-13(20-2)4-3-11(10-18)15(16)17/h3-6,12,14,19H,7-10H2,1-2H3/t12-,14-,17-/m0/s1

INN

Jilkon

Jilkon; Lycoremin; Lycoremine; Galantamin; Galantamine; GALANTHAMINE; 6H-Benzofuro[3a,3,2-ef][2]benzazepin-6-ol, 4a,5,9,10,11,12-hexahydro-3-methoxy-11-methyl-, [4aS-(4a.alpha.,6.beta.,8aR*)]-

KBio1_000590

KBio2_001751

KBio2_004319

KBio2_006887

KBio3_002636

KBioGR_001417

KBioSS_001751

LS-190142

LS-35389

LS-71039

Lycoremin

Lycoremine

MFCD00067672

MFCD00867189

MI

MolPort-002-521-885

N/A

NCGC00024731-02

NINDS_000590

Nivalin

NSC 100058

Prestwick0_000588

Prestwick1_000588

Prestwick2_000588

Prestwick3_000588

Probes1_000055

Probes2_000395

QA-8396

R-113675

Razadyne

Razadyne er

Reminyl

Reminyl (TN)

Reminyl XL

SDCCGMLS-0066737.P001

SMP1_000131

SPBio_002655

Spectrum3_001738

Spectrum4_000839

Spectrum5_001673

Spectrum_001271

STOCK1N-46108

UNII-0D3Q044KCA

USAN)

USAN); Galantamine Hydrobromide (FDA

USAN); Galantamine Hydrobromide (USAN

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) 1.54 4.72 -50.25 2 4 1 43 288.367 1 ↓

Vendor Notes

Note Type Comments Provided By
ALOGPS_SOLUBILITY 1.70e+00 g/l DrugBank-approved
MP 256 TCI
Purity 98% APIChem
Purity >98% Fluorochem
Target AChR; mAChRs Selleck Chemicals
Therapy anticholinesterase, analgesic, antiAlzheimer SMDC Iconix
Patent Database Links EP1088550; EP1118322; EP1457490; EP1514542; EP1541197; EP1576955; EP1576985; EP1629835; EP1777222; EP1779867; EP1867642; EP1918286; EP1938811; EP1952824; US2004142904; US2005070552; US2005250843; US2006009640; US2006025345; US2006040948; US2006040994; US2 ChEBI
PUBCHEM_SUBSTANCE_COMMENT NCC_SAMPLE_SUPPLIER : Tocris Cookson Ltd.; NCC_SUPPLIER_STRUCTURE_ID : 100060; 1 hydrogen bromide NIH Clinical Collection via PubChem
PUBCHEM_SUBSTANCE_COMMENT SAMPLE_SUPPLIER: Tocris Bioscience; SUPPLIER_STRUCTURE_ID: 100060; SALT: 1 hydrogen bromide NIH Clinical Collection via PubChem

Activity (Go SEA)

Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
ACES-1-E Acetylcholinesterase (cluster #1 Of 12), Eukaryotic Eukaryotes 500 0.42 Binding ≤ 10μM
ACES-1-E Acetylcholinesterase (cluster #1 Of 12), Eukaryotic Eukaryotes 920 0.40 Binding ≤ 10μM
CHLE-1-E Butyrylcholinesterase (cluster #1 Of 7), Eukaryotic Eukaryotes 8404 0.34 Binding ≤ 10μM
Q9JKC1-1-E Butyrylcholinesterase (cluster #1 Of 1), Eukaryotic Eukaryotes 5900 0.35 Binding ≤ 10μM
Q9N1N9-1-E Butyrylcholinesterase (cluster #1 Of 2), Eukaryotic Eukaryotes 8500 0.34 Binding ≤ 10μM
ACES-1-E Acetylcholinesterase (cluster #1 Of 1), Eukaryotic Eukaryotes 1100 0.40 Functional ≤ 10μM
ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
ACES_RAT P37136 Acetylcholinesterase, Rat 538 0.42 Binding ≤ 1μM
ACES_HUMAN P22303 Acetylcholinesterase, Human 500 0.42 Binding ≤ 1μM
ACES_TORCA P04058 Acetylcholinesterase, Torca 360 0.43 Binding ≤ 1μM
ACES_ELEEL O42275 Acetylcholinesterase, Eleel 450 0.42 Binding ≤ 1μM
ACES_RAT P37136 Acetylcholinesterase, Rat 1165 0.40 Binding ≤ 10μM
ACES_BOVIN P23795 Acetylcholinesterase, Bovin 8700 0.34 Binding ≤ 10μM
ACES_HUMAN P22303 Acetylcholinesterase, Human 3200 0.37 Binding ≤ 10μM
ACES_TORCA P04058 Acetylcholinesterase, Torca 360 0.43 Binding ≤ 10μM
ACES_ELEEL O42275 Acetylcholinesterase, Eleel 450 0.42 Binding ≤ 10μM
Q9N1N9_HORSE Q9N1N9 Butyrylcholinesterase, Horse 8000 0.34 Binding ≤ 10μM
Q9JKC1_RAT Q9JKC1 Butyrylcholinesterase, Rat 5900 0.35 Binding ≤ 10μM
CHLE_HUMAN P06276 Butyrylcholinesterase, Human 7300 0.34 Binding ≤ 10μM
CHLE_HORSE P81908 Cholinesterase, Horse 1520 0.39 Binding ≤ 10μM
ACES_HUMAN P22303 Acetylcholinesterase, Human 1100 0.40 Functional ≤ 10μM

Reactome Annotations from Targets (via Uniprot)

Description Species
Neurotransmitter Clearance In The Synaptic Cleft
Synthesis of PC
Synthesis, secretion, and deacylation of Ghrelin

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