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Ligand

NameCHEMBL597396
Molecular formulaC29H28N2O4
IUPAC name1-[[3-(2-hydroxyethoxy)phenyl]methyl]-4-(4-propan-2-ylphenyl)-6-prop-2-ynoxyquinazolin-2-one
Molecular weight468.553
Hydrogen bond acceptor4
Hydrogen bond donor1
XlogP4.9
Synonyms1-[3-(2-Hydroxy-ethoxy)-benzyl]-4-(4-isopropyl-phenyl)-6-propargyloxy-1H-quinazolin-2-one
BDBM50308092
SCHEMBL3188084
1-[3-(2-hydroxy-ethoxy)-benzyl]-4-(4-isopropyl-phenyl)-6-prop-2-ynyloxy-1H-quinazolin-2-one
AMLKCBXPVBOXAU-UHFFFAOYSA-N
Inchi KeyAMLKCBXPVBOXAU-UHFFFAOYSA-N
Inchi IDInChI=1S/C29H28N2O4/c1-4-15-34-25-12-13-27-26(18-25)28(23-10-8-22(9-11-23)20(2)3)30-29(33)31(27)19-21-6-5-7-24(17-21)35-16-14-32/h1,5-13,17-18,20,32H,14-16,19H2,2-3H3
PubChem CID10115992
ChEMBLCHEMBL597396
IUPHARN/A
BindingDB50308092
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
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
9023Extracellular calcium-sensing receptorP41180CASRHomo sapiens (Human)1078

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