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Name | CHEMBL3091692 |
---|---|
Molecular formula | C29H41N5O2 |
IUPAC name | 2-[(3R)-3-[[4-aminobutyl-[(8S)-5,6,7,8-tetrahydroquinolin-8-yl]amino]methyl]-3,4-dihydro-1H-isoquinolin-2-yl]-1-morpholin-4-ylethanone |
Molecular weight | 491.68 |
Hydrogen bond acceptor | 6 |
Hydrogen bond donor | 1 |
XlogP | 2.1 |
Synonyms | BDBM50443550 2-[(3R)-3-[[4-aminobutyl-[(8S)-5,6,7,8-tetrahydroquinolin-8-yl]amino]methyl]-3,4-dihydro-1H-isoquinolin-2-yl]-1-morpholino-ethanone |
Inchi Key | CSBQEOIXCUQRGT-SXOMAYOGSA-N |
Inchi ID | InChI=1S/C29H41N5O2/c30-12-3-4-14-33(27-11-5-9-23-10-6-13-31-29(23)27)21-26-19-24-7-1-2-8-25(24)20-34(26)22-28(35)32-15-17-36-18-16-32/h1-2,6-8,10,13,26-27H,3-5,9,11-12,14-22,30H2/t26-,27+/m1/s1 |
PubChem CID | 72546064 |
ChEMBL | CHEMBL3091692 |
IUPHAR | N/A |
BindingDB | 50443550 |
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 |
---|---|---|---|---|---|
49332 | C-X-C chemokine receptor type 4 | P61073 | CXCR4 | Homo sapiens (Human) | 352 |
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