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Ligand

NameMLS000591296
Molecular formulaC22H20ClN3O3S
IUPAC name5-[3-(2-chloro-6-methylquinolin-3-yl)-5-thiophen-2-yl-3,4-dihydropyrazol-2-yl]-5-oxopentanoic acid
Molecular weight441.93
Hydrogen bond acceptor6
Hydrogen bond donor1
XlogP4.1
SynonymsSMR000218859
5-[3-(2-chloro-6-methylquinolin-3-yl)-5-thiophen-2-yl-3,4-dihydropyrazol-2-yl]-5-oxopentanoic acid
5-[5-(2-Chloro-6-methyl-quinolin-3-yl)-3-thiophen-2-yl-4,5-dihydro-pyrazol-1-yl]-5-oxo-pentanoic acid
AC1MWN0A
CHEMBL1302035
[ Show all ]
Inchi KeyACGQCSJCKMYSIK-UHFFFAOYSA-N
Inchi IDInChI=1S/C22H20ClN3O3S/c1-13-7-8-16-14(10-13)11-15(22(23)24-16)18-12-17(19-4-3-9-30-19)25-26(18)20(27)5-2-6-21(28)29/h3-4,7-11,18H,2,5-6,12H2,1H3,(H,28,29)
PubChem CID3801855
ChEMBLCHEMBL1302035
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: 1
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GLASS IDNameUniProtGeneSpeciesLength
1549Beta-2 adrenergic receptorP07550ADRB2Homo sapiens (Human)413

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