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Ligand

NameSCHEMBL13018947
Molecular formulaC36H40N8O3
IUPAC nameN-[(1R)-1-[4-[(2,4-dimethoxyphenyl)methyl]-5-[2-(1H-indol-3-yl)ethyl]-1,2,4-triazol-3-yl]-2-(1H-indol-3-yl)ethyl]piperazine-2-carboxamide
Molecular weight632.769
Hydrogen bond acceptor7
Hydrogen bond donor5
XlogP3.6
SynonymsBDBM19346
Trisubstituted 1,2,4-Triazole, 54
(R,S)-N-((R)-1-(5-(2-(1H-indol-3-yl)ethyl)-4-(2,4-dimethoxybenzyl)-4H-1,2,4-triazol-3-yl)-2-(1H-indol-3-yl)ethyl)piperazine-2-carboxamide
N-[(1R)-1-{4-[(2,4-dimethoxyphenyl)methyl]-5-[2-(1H-indol-3-yl)ethyl]-4H-1,2,4-triazol-3-yl}-2-(1H-indol-3-yl)ethyl]piperazine-2-carboxamide
Inchi KeyBEAVQQJSWGACGL-XGDNGBMYSA-N
Inchi IDInChI=1S/C36H40N8O3/c1-46-26-13-11-24(33(18-26)47-2)22-44-34(14-12-23-19-39-29-9-5-3-7-27(23)29)42-43-35(44)31(41-36(45)32-21-37-15-16-38-32)17-25-20-40-30-10-6-4-8-28(25)30/h3-11,13,18-20,31-32,37-40H,12,14-17,21-22H2,1-2H3,(H,41,45)/t31-,32?/m1/s1
PubChem CID23644737
ChEMBLN/A
IUPHARN/A
BindingDB19346
DrugBankN/A

Structure

SDF download

2D structure
Lipinski's druglikenessThis ligand is heavier than 500 daltons.

Known GPCRs

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Total entries: 1
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GLASS IDNameUniProtGeneSpeciesLength
21408Growth hormone secretagogue receptor type 1Q92847GHSRHomo sapiens (Human)366

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