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Ligand

NameCHEMBL266961
Molecular formulaC36H33N7O
IUPAC nameN-[(R)-[4-(4-ethylphenyl)-5-[2-(1H-indol-3-yl)ethyl]-1,2,4-triazol-3-yl]-(1H-indol-3-yl)methyl]-2-pyridin-2-ylacetamide
Molecular weight579.708
Hydrogen bond acceptor4
Hydrogen bond donor3
XlogP5.8
Synonyms(R)-N-((5-(2-(1H-indol-3-yl)ethyl)-4-(4-ethylphenyl)-4H-1,2,4-triazol-3-yl)(1H-indol-3-yl)methyl)-2-(pyridin-2-yl)acetamide
BDBM50232278
Inchi KeyAWYMMDJZZHLIMY-PGUFJCEWSA-N
Inchi IDInChI=1S/C36H33N7O/c1-2-24-14-17-27(18-15-24)43-33(19-16-25-22-38-31-12-5-3-10-28(25)31)41-42-36(43)35(30-23-39-32-13-6-4-11-29(30)32)40-34(44)21-26-9-7-8-20-37-26/h3-15,17-18,20,22-23,35,38-39H,2,16,19,21H2,1H3,(H,40,44)/t35-/m1/s1
PubChem CID44445609
ChEMBLCHEMBL266961
IUPHARN/A
BindingDB50232278
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
16452Growth hormone secretagogue receptor type 1Q92847GHSRHomo sapiens (Human)366

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