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| Name | CHEMBL3964813 |
|---|---|
| Molecular formula | C32H33ClN6O2S |
| IUPAC name | 1-(6-chloro-1,3-benzothiazol-2-yl)-3-[2-[4-cyano-1'-(2,2-dimethylpropyl)-7-hydroxyspiro[2H-indole-3,4'-piperidine]-1-yl]phenyl]urea |
| Molecular weight | 601.166 |
| Hydrogen bond acceptor | 7 |
| Hydrogen bond donor | 3 |
| XlogP | 7.0 |
| Synonyms | BDBM245338 SCHEMBL16782878 US9428504, 83 |
| Inchi Key | BCHAEGWYWNMUIW-UHFFFAOYSA-N |
| Inchi ID | InChI=1S/C32H33ClN6O2S/c1-31(2,3)18-38-14-12-32(13-15-38)19-39(28-25(40)11-8-20(17-34)27(28)32)24-7-5-4-6-22(24)35-29(41)37-30-36-23-10-9-21(33)16-26(23)42-30/h4-11,16,40H,12-15,18-19H2,1-3H3,(H2,35,36,37,41) |
| PubChem CID | 118130691 |
| ChEMBL | CHEMBL3964813 |
| IUPHAR | N/A |
| BindingDB | 245338 |
| DrugBank | N/A |
Structure |  |
| Lipinski's druglikeness | This ligand is heavier than 500 daltons. This ligand has a partition coefficient log P greater than 5. |
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| GLASS ID | Name | UniProt | Gene | Species | Length |
|---|---|---|---|---|---|
| 533987 | P2Y purinoceptor 1 | P47900 | P2RY1 | Homo sapiens (Human) | 373 |
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