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Ligand

NameCHEMBL387948
Molecular formulaC31H36N4O5
IUPAC name2-[3-[[2-[5-cyclohexyl-1-(2-cyclopentyl-2-oxoethyl)-2-oxo-1,3,4-benzotriazepin-3-yl]acetyl]amino]phenyl]acetic acid
Molecular weight544.652
Hydrogen bond acceptor6
Hydrogen bond donor2
XlogP4.9
SynonymsBDBM50411340
L022192
SCHEMBL3984836
Inchi KeyHJHOQAZDCWIAIH-UHFFFAOYSA-N
Inchi IDInChI=1S/C31H36N4O5/c36-27(22-10-4-5-11-22)19-34-26-16-7-6-15-25(26)30(23-12-2-1-3-13-23)33-35(31(34)40)20-28(37)32-24-14-8-9-21(17-24)18-29(38)39/h6-9,14-17,22-23H,1-5,10-13,18-20H2,(H,32,37)(H,38,39)
PubChem CID16732163
ChEMBLCHEMBL387948
IUPHARN/A
BindingDB50411340
DrugBankN/A

Structure

SDF download

2D structure
Lipinski's druglikenessThis ligand is heavier than 500 daltons.

Known GPCRs

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Total entries: 4
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
116373Cholecystokinin receptor type AP32238CCKARHomo sapiens (Human)428
116372Gastrin/cholecystokinin type B receptorP32239CCKBRHomo sapiens (Human)447
116374Gastrin/cholecystokinin type B receptorP30553CckbrRattus norvegicus (Rat)452
116375Gastrin/cholecystokinin type B receptorP30552CCKBRCanis lupus familiaris (Dog)453

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