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Name | CHEMBL3947569 |
---|---|
Molecular formula | C36H37N5O2 |
IUPAC name | 2-[3-[1-[[2-methylpropyl-[(8S)-5,6,7,8-tetrahydroquinolin-8-yl]amino]methyl]pyrido[3,4-b]indol-9-yl]propyl]isoindole-1,3-dione |
Molecular weight | 571.725 |
Hydrogen bond acceptor | 5 |
Hydrogen bond donor | 0 |
XlogP | 5.7 |
Synonyms | BDBM221810 SCHEMBL13510476 US9314468, Table 7, Compound 97 |
Inchi Key | BPGUKRWORCWNBI-YTTGMZPUSA-N |
Inchi ID | InChI=1S/C36H37N5O2/c1-24(2)22-39(32-16-7-10-25-11-8-18-38-33(25)32)23-30-34-27(17-19-37-30)26-12-5-6-15-31(26)40(34)20-9-21-41-35(42)28-13-3-4-14-29(28)36(41)43/h3-6,8,11-15,17-19,24,32H,7,9-10,16,20-23H2,1-2H3/t32-/m0/s1 |
PubChem CID | 59176368 |
ChEMBL | CHEMBL3947569 |
IUPHAR | N/A |
BindingDB | 221810 |
DrugBank | N/A |
Structure | |
Lipinski's druglikeness | This ligand is heavier than 500 daltons. This ligand has a partition coefficient log P greater than 5. |
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GLASS ID | Name | UniProt | Gene | Species | Length |
---|---|---|---|---|---|
536739 | C-X-C chemokine receptor type 4 | P61073 | CXCR4 | Homo sapiens (Human) | 352 |
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