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Name | CHEMBL3093610 |
---|---|
Molecular formula | C22H15N3O4S |
IUPAC name | 2-[1-[4-(1,3-thiazole-4-carbonylamino)benzoyl]isoquinolin-4-yl]acetic acid |
Molecular weight | 417.439 |
Hydrogen bond acceptor | 7 |
Hydrogen bond donor | 2 |
XlogP | 3.4 |
Synonyms | BDBM50444220 |
Inchi Key | ARHSQYCGAQRIMP-UHFFFAOYSA-N |
Inchi ID | InChI=1S/C22H15N3O4S/c26-19(27)9-14-10-23-20(17-4-2-1-3-16(14)17)21(28)13-5-7-15(8-6-13)25-22(29)18-11-30-12-24-18/h1-8,10-12H,9H2,(H,25,29)(H,26,27) |
PubChem CID | 72736700 |
ChEMBL | CHEMBL3093610 |
IUPHAR | N/A |
BindingDB | 50444220 |
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 |
---|---|---|---|---|---|
12488 | Prostaglandin D2 receptor 2 | Q9Y5Y4 | PTGDR2 | Homo sapiens (Human) | 395 |
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