You can:
Name | CHEMBL465283 |
---|---|
Molecular formula | C21H28F3N3O3S |
IUPAC name | (1S,4R)-7,7-dimethyl-1-[[(3S)-3-methyl-4-[5-(trifluoromethyl)pyridin-2-yl]piperazin-1-yl]sulfonylmethyl]bicyclo[2.2.1]heptan-2-one |
Molecular weight | 459.528 |
Hydrogen bond acceptor | 9 |
Hydrogen bond donor | 0 |
XlogP | 3.1 |
Synonyms | BDBM50412563 SCHEMBL14465703 |
Inchi Key | DTBUEBKOQDXNFV-BXTJHSDWSA-N |
Inchi ID | InChI=1S/C21H28F3N3O3S/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/h4-5,11,14-15H,6-10,12-13H2,1-3H3/t14-,15+,20+/m0/s1 |
PubChem CID | 44570549 |
ChEMBL | CHEMBL465283 |
IUPHAR | N/A |
BindingDB | 50412563 |
DrugBank | N/A |
Structure | |
Lipinski's druglikeness | This ligand satisfies Lipinski's rule of five. |
You can:
GLASS ID | Name | UniProt | Gene | Species | Length |
---|---|---|---|---|---|
68175 | C-X-C chemokine receptor type 3 | P49682 | CXCR3 | Homo sapiens (Human) | 368 |
68176 | C-X-C chemokine receptor type 3 | O88410 | Cxcr3 | Mus musculus (Mouse) | 367 |
zhanglabzhanggroup.org | (734) 647-1549 | 100 Washtenaw Avenue, Ann Arbor, MI 48109-2218