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Name | CHEMBL481198 |
---|---|
Molecular formula | C21H30F3N3O3S |
IUPAC name | (1S,2S,4R)-7,7-dimethyl-1-[[(3S)-3-methyl-4-[5-(trifluoromethyl)pyridin-2-yl]piperazin-1-yl]sulfonylmethyl]bicyclo[2.2.1]heptan-2-ol |
Molecular weight | 461.544 |
Hydrogen bond acceptor | 9 |
Hydrogen bond donor | 1 |
XlogP | 3.4 |
Synonyms | BDBM50412556 SCHEMBL14466699 |
Inchi Key | ZNGVTBVYSZJBBY-NVALYEJGSA-N |
Inchi ID | InChI=1S/C21H30F3N3O3S/c1-14-12-26(8-9-27(14)18-5-4-16(11-25-18)21(22,23)24)31(29,30)13-20-7-6-15(10-17(20)28)19(20,2)3/h4-5,11,14-15,17,28H,6-10,12-13H2,1-3H3/t14-,15+,17-,20+/m0/s1 |
PubChem CID | 44570220 |
ChEMBL | CHEMBL481198 |
IUPHAR | N/A |
BindingDB | 50412556 |
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 |
---|---|---|---|---|---|
432787 | C-X-C chemokine receptor type 3 | P49682 | CXCR3 | Homo sapiens (Human) | 368 |
432788 | C-X-C chemokine receptor type 3 | O88410 | Cxcr3 | Mus musculus (Mouse) | 367 |
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