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Ligand

NameCHEMBL2017824
Molecular formulaC38H34N6O2
IUPAC name4-(1H-indol-3-ylmethyl)-6-[2-oxo-2-(2-phenylpiperidin-1-yl)ethyl]-1-phenyl-4H-[1,2,4]triazolo[3,4-d][1,5]benzodiazepin-5-one
Molecular weight606.73
Hydrogen bond acceptor4
Hydrogen bond donor1
XlogP5.8
SynonymsBDBM50380733
Inchi KeyBOSVNAQHOMRMEL-UHFFFAOYSA-N
Inchi IDInChI=1S/C38H34N6O2/c45-35(42-22-12-11-19-32(42)26-13-3-1-4-14-26)25-43-33-20-9-10-21-34(33)44-36(27-15-5-2-6-16-27)40-41-37(44)30(38(43)46)23-28-24-39-31-18-8-7-17-29(28)31/h1-10,13-18,20-21,24,30,32,39H,11-12,19,22-23,25H2
PubChem CID70685411
ChEMBLCHEMBL2017824
IUPHARN/A
BindingDB50380733
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
29112Cholecystokinin receptor type AP32238CCKARHomo sapiens (Human)428

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