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Ligand

NameCHEMBL350853
Molecular formulaC23H27N5O2
IUPAC name1-(1-methyl-2-oxo-5-piperidin-1-yl-3H-1,4-benzodiazepin-3-yl)-3-(3-methylphenyl)urea
Molecular weight405.502
Hydrogen bond acceptor3
Hydrogen bond donor2
XlogP2.7
SynonymsBDBM50040672
L008783
1-(1-Methyl-2-oxo-5-piperidin-1-yl-2,3-dihydro-1H-benzo[e][1,4]diazepin-3-yl)-3-m-tolyl-urea
Inchi KeyBDZOCUCJHUMDAN-UHFFFAOYSA-N
Inchi IDInChI=1S/C23H27N5O2/c1-16-9-8-10-17(15-16)24-23(30)26-20-22(29)27(2)19-12-5-4-11-18(19)21(25-20)28-13-6-3-7-14-28/h4-5,8-12,15,20H,3,6-7,13-14H2,1-2H3,(H2,24,26,30)
PubChem CID10341247
ChEMBLCHEMBL350853
IUPHARN/A
BindingDB50040672
DrugBankN/A

Structure

SDF download

2D structure
Lipinski's druglikenessThis ligand satisfies Lipinski's rule of five.

Known GPCRs

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Total entries: 2
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
21369Cholecystokinin receptor type AP30551CckarRattus norvegicus (Rat)444
21370Gastrin/cholecystokinin type B receptorP32239CCKBRHomo sapiens (Human)447

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