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Ligand

NameCCK-A Agonist 41
Molecular formulaC35H33N5O4
IUPAC name2-[3-(2H-indazol-3-ylmethyl)-2,4-dioxo-5-phenyl-1,5-benzodiazepin-1-yl]-N-(2-methoxyphenyl)-N-propan-2-ylacetamide
Molecular weight587.68
Hydrogen bond acceptor5
Hydrogen bond donor1
XlogP5.6
SynonymsCHEMBL329407
2-[3-(1H-Indazol-3-ylmethyl)-2,4-dioxo-5-phenyl-2,3,4,5-tetrahydrobenzo[b][1,4]diazepin-1-yl]-N-isopropyl-N-(2-methoxy-phenyl) acetamide
DSQYSAXIAUUBET-UHFFFAOYSA-N
SCHEMBL8814491
BDBM85156
Inchi KeyDSQYSAXIAUUBET-UHFFFAOYSA-N
Inchi IDInChI=1S/C35H33N5O4/c1-23(2)39(31-19-11-12-20-32(31)44-3)33(41)22-38-29-17-9-10-18-30(29)40(24-13-5-4-6-14-24)35(43)26(34(38)42)21-28-25-15-7-8-16-27(25)36-37-28/h4-20,23,26H,21-22H2,1-3H3,(H,36,37)
PubChem CID10531430
ChEMBLCHEMBL329407
IUPHARN/A
BindingDB85156
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: 2
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
67888Cholecystokinin receptor type AP32238CCKARHomo sapiens (Human)428
67889Gastrin/cholecystokinin type B receptorP32239CCKBRHomo sapiens (Human)447

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