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Ligand

NameCHEMBL2017692
Molecular formulaC38H34N6O2
IUPAC name6-[2-(3-benzylpyrrolidin-1-yl)-2-oxoethyl]-4-(1H-indol-3-ylmethyl)-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
SynonymsBDBM50380731
Inchi KeyADXYLZDRWMSWLX-UHFFFAOYSA-N
Inchi IDInChI=1S/C38H34N6O2/c45-35(42-20-19-27(24-42)21-26-11-3-1-4-12-26)25-43-33-17-9-10-18-34(33)44-36(28-13-5-2-6-14-28)40-41-37(44)31(38(43)46)22-29-23-39-32-16-8-7-15-30(29)32/h1-18,23,27,31,39H,19-22,24-25H2
PubChem CID70683295
ChEMBLCHEMBL2017692
IUPHARN/A
BindingDB50380731
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
3212Cholecystokinin receptor type AP32238CCKARHomo sapiens (Human)428

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