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Ligand

NameCHEMBL252255
Molecular formulaC36H33N7O3
IUPAC namepyridin-2-yl N-[(1R)-2-(1H-indol-3-yl)-1-[5-[2-(1H-indol-3-yl)ethyl]-4-[(4-methoxyphenyl)methyl]-1,2,4-triazol-3-yl]ethyl]carbamate
Molecular weight611.706
Hydrogen bond acceptor6
Hydrogen bond donor3
XlogP5.9
SynonymsBDBM50227177
(R)-pyridin-2-yl 1-(5-(2-(1H-indol-3-yl)ethyl)-4-(4-methoxybenzyl)-4H-1,2,4-triazol-3-yl)-2-(1H-indol-3-yl)ethylcarbamate
Inchi KeyAMJHEXHBMBEBSJ-JGCGQSQUSA-N
Inchi IDInChI=1S/C36H33N7O3/c1-45-27-16-13-24(14-17-27)23-43-33(18-15-25-21-38-30-10-4-2-8-28(25)30)41-42-35(43)32(40-36(44)46-34-12-6-7-19-37-34)20-26-22-39-31-11-5-3-9-29(26)31/h2-14,16-17,19,21-22,32,38-39H,15,18,20,23H2,1H3,(H,40,44)/t32-/m1/s1
PubChem CID44446187
ChEMBLCHEMBL252255
IUPHARN/A
BindingDB50227177
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
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GLASS IDNameUniProtGeneSpeciesLength
8941Growth hormone secretagogue receptor type 1Q92847GHSRHomo sapiens (Human)366

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