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Name | CHEMBL3091690 |
---|---|
Molecular formula | C29H37N5 |
IUPAC name | N'-[[(3R)-2-(pyridin-4-ylmethyl)-3,4-dihydro-1H-isoquinolin-3-yl]methyl]-N'-[(8S)-5,6,7,8-tetrahydroquinolin-8-yl]butane-1,4-diamine |
Molecular weight | 455.65 |
Hydrogen bond acceptor | 5 |
Hydrogen bond donor | 1 |
XlogP | 3.3 |
Synonyms | BDBM50443552 N'-[[(3R)-2-(4-pyridylmethyl)-3,4-dihydro-1H-isoquinolin-3-yl]methyl]-N'-[(8S)-5,6,7,8-tetrahydroquinolin-8-yl]butane-1,4-diamine |
Inchi Key | BGWQKCHJKBRVRX-IZLXSDGUSA-N |
Inchi ID | InChI=1S/C29H37N5/c30-14-3-4-18-33(28-11-5-9-24-10-6-15-32-29(24)28)22-27-19-25-7-1-2-8-26(25)21-34(27)20-23-12-16-31-17-13-23/h1-2,6-8,10,12-13,15-17,27-28H,3-5,9,11,14,18-22,30H2/t27-,28+/m1/s1 |
PubChem CID | 72546062 |
ChEMBL | CHEMBL3091690 |
IUPHAR | N/A |
BindingDB | 50443552 |
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 |
---|---|---|---|---|---|
23489 | C-X-C chemokine receptor type 4 | P61073 | CXCR4 | Homo sapiens (Human) | 352 |
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