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Name | MLS000086251 |
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Molecular formula | C22H22ClN3O2 |
IUPAC name | 2-[2-[4-(3-chlorophenyl)piperazin-1-yl]-2-oxoethyl]-3-methylisoquinolin-1-one |
Molecular weight | 395.887 |
Hydrogen bond acceptor | 3 |
Hydrogen bond donor | 0 |
XlogP | 3.6 |
Synonyms | SMR000021760 AC1MMJ12 HMS2350B17 2-[2-[4-(3-chlorophenyl)piperazin-1-yl]-2-oxoethyl]-3-methylisoquinolin-1-one SR-01000545077 [ Show all ] |
Inchi Key | AFDQTAOQWZHOCR-UHFFFAOYSA-N |
Inchi ID | InChI=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 CID | 3239523 |
ChEMBL | CHEMBL1558048 |
IUPHAR | N/A |
BindingDB | N/A |
DrugBank | N/A |
Structure | |
Lipinski's druglikeness | This ligand satisfies Lipinski's rule of five. |
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GLASS ID | Name | UniProt | Gene | Species | Length |
---|---|---|---|---|---|
4062 | Thyrotropin receptor | P16473 | TSHR | Homo sapiens (Human) | 764 |
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