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Name | CHEMBL3263067 |
---|---|
Molecular formula | C36H42F3N5OS |
IUPAC name | 1-[2-[[5-(4-tert-butylphenyl)-1,3,4-thiadiazol-2-yl]amino]phenyl]-1'-(2,2-dimethylpropyl)-4-(trifluoromethyl)spiro[2H-indole-3,4'-piperidine]-7-ol |
Molecular weight | 649.821 |
Hydrogen bond acceptor | 10 |
Hydrogen bond donor | 2 |
XlogP | 9.9 |
Synonyms | BDBM50015287 SCHEMBL15606146 |
Inchi Key | BHFWFSACFRIJPQ-UHFFFAOYSA-N |
Inchi ID | InChI=1S/C36H42F3N5OS/c1-33(2,3)21-43-19-17-35(18-20-43)22-44(30-28(45)16-15-25(29(30)35)36(37,38)39)27-10-8-7-9-26(27)40-32-42-41-31(46-32)23-11-13-24(14-12-23)34(4,5)6/h7-16,45H,17-22H2,1-6H3,(H,40,42) |
PubChem CID | 73053120 |
ChEMBL | CHEMBL3263067 |
IUPHAR | N/A |
BindingDB | 50015287 |
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 |
---|---|---|---|---|---|
23708 | P2Y purinoceptor 1 | P47900 | P2RY1 | Homo sapiens (Human) | 373 |
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