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Name | CHEMBL3957872 |
---|---|
Molecular formula | C24H28BrF3N4O2 |
IUPAC name | N-[3-bromo-5-[[4-(tert-butylcarbamoyl)piperidin-1-yl]methyl]phenyl]-6-(trifluoromethyl)pyridine-2-carboxamide |
Molecular weight | 541.413 |
Hydrogen bond acceptor | 7 |
Hydrogen bond donor | 2 |
XlogP | 4.2 |
Synonyms | BDBM243565 US9428456, 1.279 |
Inchi Key | AQJBYKGEYOOGIV-UHFFFAOYSA-N |
Inchi ID | InChI=1S/C24H28BrF3N4O2/c1-23(2,3)31-21(33)16-7-9-32(10-8-16)14-15-11-17(25)13-18(12-15)29-22(34)19-5-4-6-20(30-19)24(26,27)28/h4-6,11-13,16H,7-10,14H2,1-3H3,(H,29,34)(H,31,33) |
PubChem CID | 129625988 |
ChEMBL | CHEMBL3957872 |
IUPHAR | N/A |
BindingDB | 243565 |
DrugBank | N/A |
Structure | |
Lipinski's druglikeness | This ligand is heavier than 500 daltons. |
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GLASS ID | Name | UniProt | Gene | Species | Length |
---|---|---|---|---|---|
533963 | Atypical chemokine receptor 3 | P25106 | ACKR3 | Homo sapiens (Human) | 362 |
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