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Name | CHEMBL3287049 |
---|---|
Molecular formula | C31H33ClFN5O2S |
IUPAC name | 1-[2-[4-chloro-1'-(2,2-dimethylpropyl)-7-hydroxyspiro[2H-indole-3,4'-piperidine]-1-yl]phenyl]-3-(6-fluoro-1,3-benzothiazol-2-yl)urea |
Molecular weight | 594.146 |
Hydrogen bond acceptor | 7 |
Hydrogen bond donor | 3 |
XlogP | 7.4 |
Synonyms | BDBM50017083 SCHEMBL16782790 |
Inchi Key | ACVSRSHOAKOROK-UHFFFAOYSA-N |
Inchi ID | InChI=1S/C31H33ClFN5O2S/c1-30(2,3)17-37-14-12-31(13-15-37)18-38(27-24(39)11-9-20(32)26(27)31)23-7-5-4-6-21(23)34-28(40)36-29-35-22-10-8-19(33)16-25(22)41-29/h4-11,16,39H,12-15,17-18H2,1-3H3,(H2,34,35,36,40) |
PubChem CID | 90643797 |
ChEMBL | CHEMBL3287049 |
IUPHAR | N/A |
BindingDB | 50017083 |
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 |
---|---|---|---|---|---|
1978 | P2Y purinoceptor 1 | P47900 | P2RY1 | Homo sapiens (Human) | 373 |
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