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Name | CHEMBL3982018 |
---|---|
Molecular formula | C25H31F3N4O3 |
IUPAC name | N-[3-[[4-(2-methylbutan-2-ylcarbamoyl)piperidin-1-yl]methyl]phenyl]-1-oxido-6-(trifluoromethyl)pyridin-1-ium-2-carboxamide |
Molecular weight | 492.543 |
Hydrogen bond acceptor | 7 |
Hydrogen bond donor | 2 |
XlogP | 3.1 |
Synonyms | BDBM243728 SCHEMBL17270154 US9428456, 1.346 |
Inchi Key | DJQJHFKVRJGZGC-UHFFFAOYSA-N |
Inchi ID | InChI=1S/C25H31F3N4O3/c1-4-24(2,3)30-22(33)18-11-13-31(14-12-18)16-17-7-5-8-19(15-17)29-23(34)20-9-6-10-21(32(20)35)25(26,27)28/h5-10,15,18H,4,11-14,16H2,1-3H3,(H,29,34)(H,30,33) |
PubChem CID | 118521864 |
ChEMBL | CHEMBL3982018 |
IUPHAR | N/A |
BindingDB | 243728 |
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 |
---|---|---|---|---|---|
534186 | Atypical chemokine receptor 3 | P25106 | ACKR3 | Homo sapiens (Human) | 362 |
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