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Ligand

NameCHEMBL2017834
Molecular formulaC39H37N7O2
IUPAC name(4S)-4-(2H-indazol-3-ylmethyl)-6-[2-[2-[(3-methylphenyl)methyl]piperidin-1-yl]-2-oxoethyl]-1-phenyl-4H-[1,2,4]triazolo[3,4-d][1,5]benzodiazepin-5-one
Molecular weight635.772
Hydrogen bond acceptor5
Hydrogen bond donor1
XlogP6.2
SynonymsBDBM50380727
Inchi KeyDXQILTBKODCQIQ-RDFOUATCSA-N
Inchi IDInChI=1S/C39H37N7O2/c1-26-12-11-13-27(22-26)23-29-16-9-10-21-44(29)36(47)25-45-34-19-7-8-20-35(34)46-37(28-14-3-2-4-15-28)42-43-38(46)31(39(45)48)24-33-30-17-5-6-18-32(30)40-41-33/h2-8,11-15,17-20,22,29,31H,9-10,16,21,23-25H2,1H3,(H,40,41)/t29?,31-/m0/s1
PubChem CID70683305
ChEMBLCHEMBL2017834
IUPHARN/A
BindingDB50380727
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
71532Cholecystokinin receptor type AP32238CCKARHomo sapiens (Human)428

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