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Name | CHEMBL253928 |
---|---|
Molecular formula | C24H30F4N4O3 |
IUPAC name | ethyl 3-[[4-[[3-fluoro-5-(trifluoromethyl)phenyl]carbamoylamino]piperidin-1-yl]methyl]-8-azabicyclo[3.2.1]oct-2-ene-8-carboxylate |
Molecular weight | 498.523 |
Hydrogen bond acceptor | 8 |
Hydrogen bond donor | 2 |
XlogP | 3.4 |
Synonyms | 3-{4-[3-(3-fluoro-5-trifluoromethyl-phenyl)-ureido]-piperidin-1-ylmethyl}-8-aza-bicyclo[3.2.1]oct-2-ene-8-carboxylic acid ethyl ester BDBM50227874 |
Inchi Key | VJFABTBDUNBUDS-UHFFFAOYSA-N |
Inchi ID | InChI=1S/C24H30F4N4O3/c1-2-35-23(34)32-20-3-4-21(32)10-15(9-20)14-31-7-5-18(6-8-31)29-22(33)30-19-12-16(24(26,27)28)11-17(25)13-19/h9,11-13,18,20-21H,2-8,10,14H2,1H3,(H2,29,30,33) |
PubChem CID | 44446438 |
ChEMBL | CHEMBL253928 |
IUPHAR | N/A |
BindingDB | 50227874 |
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 |
---|---|---|---|---|---|
356463 | C-X-C chemokine receptor type 3 | O88410 | Cxcr3 | Mus musculus (Mouse) | 367 |
356464 | C-X-C chemokine receptor type 3 | P49682 | CXCR3 | Homo sapiens (Human) | 368 |
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