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Ligand

NameMLS000086251
Molecular formulaC22H22ClN3O2
IUPAC name2-[2-[4-(3-chlorophenyl)piperazin-1-yl]-2-oxoethyl]-3-methylisoquinolin-1-one
Molecular weight395.887
Hydrogen bond acceptor3
Hydrogen bond donor0
XlogP3.6
Synonyms2-{2-[4-(3-chlorophenyl)piperazin-1-yl]-2-oxoethyl}-3-methylisoquinolin-1(2H)-one
SR-01000545077-1
CHEMBL1558048
SMR000021760
AC1MMJ12
[ Show all ]
Inchi KeyAFDQTAOQWZHOCR-UHFFFAOYSA-N
Inchi IDInChI=1S/C22H22ClN3O2/c1-16-13-17-5-2-3-8-20(17)22(28)26(16)15-21(27)25-11-9-24(10-12-25)19-7-4-6-18(23)14-19/h2-8,13-14H,9-12,15H2,1H3
PubChem CID3239523
ChEMBLCHEMBL1558048
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
4062Thyrotropin receptorP16473TSHRHomo sapiens (Human)764

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