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Ligand

NameCHEMBL3581047
Molecular formulaC41H36N6O3
IUPAC name3-benzoyl-N-[(1R)-2-(1H-indol-3-yl)-1-[4-[(4-methoxyphenyl)methyl]-5-(2-phenylethyl)-1,2,4-triazol-3-yl]ethyl]pyridine-2-carboxamide
Molecular weight660.778
Hydrogen bond acceptor6
Hydrogen bond donor2
XlogP6.8
SynonymsBDBM50089882
Inchi KeyBFGQGBCFWCMBDY-PSXMRANNSA-N
Inchi IDInChI=1S/C41H36N6O3/c1-50-32-21-18-29(19-22-32)27-47-37(23-20-28-11-4-2-5-12-28)45-46-40(47)36(25-31-26-43-35-17-9-8-15-33(31)35)44-41(49)38-34(16-10-24-42-38)39(48)30-13-6-3-7-14-30/h2-19,21-22,24,26,36,43H,20,23,25,27H2,1H3,(H,44,49)/t36-/m1/s1
PubChem CID122178614
ChEMBLCHEMBL3581047
IUPHARN/A
BindingDB50089882
DrugBankN/A

Structure

SDF download

2D structure
Lipinski's druglikenessThis ligand is heavier than 500 daltons.
This ligand has a partition coefficient log P greater than 5.

Known GPCRs

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Total entries: 1
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
465644Growth hormone secretagogue receptor type 1Q92847GHSRHomo sapiens (Human)366

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