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Name | CHEMBL3322509 |
---|---|
Molecular formula | C24H18N2O7S |
IUPAC name | 2-[4-(1,3-dioxobenzo[de]isoquinolin-2-yl)butyl]-1,1,3-trioxo-1,2-benzothiazole-6-carboxylic acid |
Molecular weight | 478.475 |
Hydrogen bond acceptor | 7 |
Hydrogen bond donor | 1 |
XlogP | 2.8 |
Synonyms | GTDWBWPQKMNPCR-UHFFFAOYSA-N 2-(4-(1,3-dioxo-1H-benzo[de]isoquinolin-2(3H)-yl)butyl)-3-oxo-2,3-dihydrobenzo[d]isothiazole-6-carboxylic acid 1,1-dioxide SCHEMBL15485311 BDBM50056342 |
Inchi Key | GTDWBWPQKMNPCR-UHFFFAOYSA-N |
Inchi ID | InChI=1S/C24H18N2O7S/c27-21-17-7-3-5-14-6-4-8-18(20(14)17)22(28)25(21)11-1-2-12-26-23(29)16-10-9-15(24(30)31)13-19(16)34(26,32)33/h3-10,13H,1-2,11-12H2,(H,30,31) |
PubChem CID | 73296091 |
ChEMBL | CHEMBL3322509 |
IUPHAR | N/A |
BindingDB | 50056342 |
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 |
---|---|---|---|---|---|
445833 | Lysophosphatidic acid receptor 2 | Q9HBW0 | LPAR2 | Homo sapiens (Human) | 351 |
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