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Ligand

NameCCK-A Agonist 30
Molecular formulaC35H37N5O4
IUPAC name2-[2,4-dioxo-5-phenyl-3-(4,5,6,7-tetrahydro-1H-indazol-3-ylmethyl)-1,5-benzodiazepin-1-yl]-N-(4-methoxyphenyl)-N-propan-2-ylacetamide
Molecular weight591.712
Hydrogen bond acceptor5
Hydrogen bond donor1
XlogP5.5
SynonymsBDBM85146
2-[2,4-Dioxo-5-phenyl-3-(4,5,6,7-tetrahydro-1H-indazol-3-ylmethyl)-2,3,4,5-tetrahydro-benzo[b][1,4]diazepin-1-yl]-N-isopropyl-N-(4-methoxy-phenyl)-acetamide
BVUCMLHZVCAVLT-UHFFFAOYSA-N
CHEMBL316077
Inchi KeyBVUCMLHZVCAVLT-UHFFFAOYSA-N
Inchi IDInChI=1S/C35H37N5O4/c1-23(2)39(25-17-19-26(44-3)20-18-25)33(41)22-38-31-15-9-10-16-32(31)40(24-11-5-4-6-12-24)35(43)28(34(38)42)21-30-27-13-7-8-14-29(27)36-37-30/h4-6,9-12,15-20,23,28H,7-8,13-14,21-22H2,1-3H3,(H,36,37)
PubChem CID10817241
ChEMBLCHEMBL316077
IUPHARN/A
BindingDB85146
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
34077Cholecystokinin receptor type AP32238CCKARHomo sapiens (Human)428
34078Gastrin/cholecystokinin type B receptorP32239CCKBRHomo sapiens (Human)447

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