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Name | CHEMBL1682864 |
---|---|
Molecular formula | C22H32N4 |
IUPAC name | N'-[(3-propan-2-ylpyridin-2-yl)methyl]-N'-(5,6,7,8-tetrahydroquinolin-8-yl)butane-1,4-diamine |
Molecular weight | 352.526 |
Hydrogen bond acceptor | 4 |
Hydrogen bond donor | 1 |
XlogP | 2.9 |
Synonyms | rac-N1-(3-isopropylpyridin-2-ylmethyl)-N1-(5,6,7,8-tetrahydroquinolin-8-yl)butane-1,4-diamine BDBM50337571 N'-[(3-isopropyl-2-pyridyl)methyl]-N'-(5,6,7,8-tetrahydroquinolin-8-yl)butane-1,4-diamine SCHEMBL12935166 N-{[3-(Propan-2-yl)pyridin-2-yl]methyl}-N-(5,6,7,8-tetrahydroquinolin-8-yl)butane-1,4-diamine |
Inchi Key | BJSHYURXVFLUKD-UHFFFAOYSA-N |
Inchi ID | InChI=1S/C22H32N4/c1-17(2)19-10-7-13-24-20(19)16-26(15-4-3-12-23)21-11-5-8-18-9-6-14-25-22(18)21/h6-7,9-10,13-14,17,21H,3-5,8,11-12,15-16,23H2,1-2H3 |
PubChem CID | 53319746 |
ChEMBL | CHEMBL1682864 |
IUPHAR | N/A |
BindingDB | 50337571 |
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 |
---|---|---|---|---|---|
25413 | C-X-C chemokine receptor type 4 | P61073 | CXCR4 | Homo sapiens (Human) | 352 |
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