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Name | CHEMBL3963631 |
---|---|
Molecular formula | C25H31ClN4O2 |
IUPAC name | N-[4-chloro-3-[[4-(cyclopentylcarbamoyl)piperidin-1-yl]methyl]phenyl]-5-methylpyridine-3-carboxamide |
Molecular weight | 454.999 |
Hydrogen bond acceptor | 4 |
Hydrogen bond donor | 2 |
XlogP | 3.6 |
Synonyms | BDBM243797 US9428456, 1.226 |
Inchi Key | BEMHXXTYUFFZNQ-UHFFFAOYSA-N |
Inchi ID | InChI=1S/C25H31ClN4O2/c1-17-12-19(15-27-14-17)25(32)29-22-6-7-23(26)20(13-22)16-30-10-8-18(9-11-30)24(31)28-21-4-2-3-5-21/h6-7,12-15,18,21H,2-5,8-11,16H2,1H3,(H,28,31)(H,29,32) |
PubChem CID | 72704244 |
ChEMBL | CHEMBL3963631 |
IUPHAR | N/A |
BindingDB | 243797 |
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 |
---|---|---|---|---|---|
533994 | Atypical chemokine receptor 3 | P25106 | ACKR3 | Homo sapiens (Human) | 362 |
zhanglabzhanggroup.org | (734) 647-1549 | 100 Washtenaw Avenue, Ann Arbor, MI 48109-2218