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Name | CHEMBL3929887 |
---|---|
Molecular formula | C29H34N4O2 |
IUPAC name | N-[3-[[4-(cyclohexylcarbamoyl)piperidin-1-yl]methyl]phenyl]isoquinoline-8-carboxamide |
Molecular weight | 470.617 |
Hydrogen bond acceptor | 4 |
Hydrogen bond donor | 2 |
XlogP | 4.4 |
Synonyms | BDBM243491 US9428456, 1.010 |
Inchi Key | CBEAPPSWJHTQSO-UHFFFAOYSA-N |
Inchi ID | InChI=1S/C29H34N4O2/c34-28(31-24-8-2-1-3-9-24)23-13-16-33(17-14-23)20-21-6-4-10-25(18-21)32-29(35)26-11-5-7-22-12-15-30-19-27(22)26/h4-7,10-12,15,18-19,23-24H,1-3,8-9,13-14,16-17,20H2,(H,31,34)(H,32,35) |
PubChem CID | 129625942 |
ChEMBL | CHEMBL3929887 |
IUPHAR | N/A |
BindingDB | 243491 |
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 |
---|---|---|---|---|---|
534072 | Atypical chemokine receptor 3 | P25106 | ACKR3 | Homo sapiens (Human) | 362 |
zhanglabzhanggroup.org | (734) 647-1549 | 100 Washtenaw Avenue, Ann Arbor, MI 48109-2218