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Ligand

NameCHEMBL369998
Molecular formulaC22H24N2O2
IUPAC name2-(2-hydroxyphenyl)-3-(2-phenylethyl)-4a,5,6,7,8,8a-hexahydroquinazolin-4-one
Molecular weight348.446
Hydrogen bond acceptor3
Hydrogen bond donor1
XlogP3.8
SynonymsBDBM50166507
2-(2-Hydroxy-phenyl)-3-phenethyl-4a,5,6,7,8,8a-hexahydro-3H-quinazolin-4-one
Inchi KeyCVVOQWRQKUEKTG-UHFFFAOYSA-N
Inchi IDInChI=1S/C22H24N2O2/c25-20-13-7-5-11-18(20)21-23-19-12-6-4-10-17(19)22(26)24(21)15-14-16-8-2-1-3-9-16/h1-3,5,7-9,11,13,17,19,25H,4,6,10,12,14-15H2
PubChem CID135964374
ChEMBLCHEMBL369998
IUPHARN/A
BindingDB50166507
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: 1
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GLASS IDNameUniProtGeneSpeciesLength
558875Extracellular calcium-sensing receptorP41180CASRHomo sapiens (Human)1078

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