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Ligand

NameCHEMBL398312
Molecular formulaC24H20N8O2
IUPAC name1-[(3R)-1-methyl-2-oxo-5-phenyl-3H-1,4-benzodiazepin-3-yl]-3-[3-(2H-tetrazol-5-yl)phenyl]urea
Molecular weight452.478
Hydrogen bond acceptor6
Hydrogen bond donor3
XlogP2.6
SynonymsL-368730
Inchi KeyCAXKLUBUODFNJX-QFIPXVFZSA-N
Inchi IDInChI=1S/C24H20N8O2/c1-32-19-13-6-5-12-18(19)20(15-8-3-2-4-9-15)26-22(23(32)33)27-24(34)25-17-11-7-10-16(14-17)21-28-30-31-29-21/h2-14,22H,1H3,(H2,25,27,34)(H,28,29,30,31)/t22-/m0/s1
PubChem CID10411553
ChEMBLCHEMBL398312
IUPHARN/A
BindingDBN/A
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
37607Cholecystokinin receptor type AQ63931CCKARCavia porcellus (Guinea pig)430
37606Gastrin/cholecystokinin type B receptorP30553CckbrRattus norvegicus (Rat)452

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