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Name | CHEMBL254536 |
---|---|
Molecular formula | C25H30F4N4O2 |
IUPAC name | 1-[1-[[8-(cyclopropanecarbonyl)-8-azabicyclo[3.2.1]oct-2-en-3-yl]methyl]piperidin-4-yl]-3-[3-fluoro-5-(trifluoromethyl)phenyl]urea |
Molecular weight | 494.535 |
Hydrogen bond acceptor | 7 |
Hydrogen bond donor | 2 |
XlogP | 3.1 |
Synonyms | BDBM50227862 1-(1-((8-(cyclopropanecarbonyl)-8-aza-bicyclo[3.2.1]oct-2-en-3-yl)methyl)piperidin-4-yl)-3-(3-fluoro-5-(trifluoromethyl)phenyl)urea |
Inchi Key | LEASHGSZLZHMRT-UHFFFAOYSA-N |
Inchi ID | InChI=1S/C25H30F4N4O2/c26-18-11-17(25(27,28)29)12-20(13-18)31-24(35)30-19-5-7-32(8-6-19)14-15-9-21-3-4-22(10-15)33(21)23(34)16-1-2-16/h9,11-13,16,19,21-22H,1-8,10,14H2,(H2,30,31,35) |
PubChem CID | 44446443 |
ChEMBL | CHEMBL254536 |
IUPHAR | N/A |
BindingDB | 50227862 |
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 |
---|---|---|---|---|---|
185146 | C-X-C chemokine receptor type 3 | O88410 | Cxcr3 | Mus musculus (Mouse) | 367 |
185147 | C-X-C chemokine receptor type 3 | P49682 | CXCR3 | Homo sapiens (Human) | 368 |
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