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Ligand

NameCHEMBL205492
Molecular formulaC23H22ClF3N4O3
IUPAC name4-[[1-(1,3-benzodioxol-5-ylmethyl)piperidin-4-yl]amino]-6-chloro-1-(2,2,2-trifluoroethyl)quinazolin-2-one
Molecular weight494.899
Hydrogen bond acceptor7
Hydrogen bond donor1
XlogP4.3
Synonyms4-(1-(benzo[d][1,3]dioxol-5-ylmethyl)piperidin-4-ylamino)-6-chloro-1-(2,2,2-trifluoroethyl)quinazolin-2(1H)-one
BDBM50183967
SCHEMBL6208310
Inchi KeyAIVCREQIHBXHNV-UHFFFAOYSA-N
Inchi IDInChI=1S/C23H22ClF3N4O3/c24-15-2-3-18-17(10-15)21(29-22(32)31(18)12-23(25,26)27)28-16-5-7-30(8-6-16)11-14-1-4-19-20(9-14)34-13-33-19/h1-4,9-10,16H,5-8,11-13H2,(H,28,29,32)
PubChem CID9983233
ChEMBLCHEMBL205492
IUPHARN/A
BindingDB50183967
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
6545Melanin-concentrating hormone receptor 1Q99705MCHR1Homo sapiens (Human)422

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