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Ligand

NameCHEMBL303116
Molecular formulaC30H32N4O3
IUPAC nameN-[1-[[(2R)-1-[benzyl(methyl)amino]-1-oxo-3-phenylpropan-2-yl]amino]-2-methyl-1-oxopropan-2-yl]-1H-indole-3-carboxamide
Molecular weight496.611
Hydrogen bond acceptor3
Hydrogen bond donor3
XlogP4.3
SynonymsBDBM50030207
1H-Indole-3-carboxylic acid {1-[(R)-1-(benzyl-methyl-carbamoyl)-2-phenyl-ethylcarbamoyl]-1-methyl-ethyl}-amide
Inchi KeyADROAEPHWXPRTM-AREMUKBSSA-N
Inchi IDInChI=1S/C30H32N4O3/c1-30(2,33-27(35)24-19-31-25-17-11-10-16-23(24)25)29(37)32-26(18-21-12-6-4-7-13-21)28(36)34(3)20-22-14-8-5-9-15-22/h4-17,19,26,31H,18,20H2,1-3H3,(H,32,37)(H,33,35)/t26-/m1/s1
PubChem CID44306226
ChEMBLCHEMBL303116
IUPHARN/A
BindingDB50030207
DrugBankN/A

Structure

SDF download

2D structure
Lipinski's druglikenessThis ligand satisfies Lipinski's rule of five.

Known GPCRs

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Total entries: 1
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
3011Substance-P receptorP30547TACR1Cavia porcellus (Guinea pig)407

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