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Name | CHEMBL2170443 |
---|---|
Molecular formula | C26H46N4 |
IUPAC name | 3-[(2S)-2-methylpiperidin-1-yl]-N-[[4-[[3-[(2S)-2-methylpiperidin-1-yl]propylamino]methyl]phenyl]methyl]propan-1-amine |
Molecular weight | 414.682 |
Hydrogen bond acceptor | 4 |
Hydrogen bond donor | 2 |
XlogP | 4.0 |
Synonyms | CHEMBL2219950 BDBM50396848 3-[(2S)-2-methyl-1-piperidyl]-N-[[4-[[3-[(2S)-2-methyl-1-piperidyl]propylamino]methyl]phenyl]methyl]propan-1-amine |
Inchi Key | CAAWJPKOKADKRS-ZEQRLZLVSA-N |
Inchi ID | InChI=1S/C26H46N4/c1-23-9-3-5-17-29(23)19-7-15-27-21-25-11-13-26(14-12-25)22-28-16-8-20-30-18-6-4-10-24(30)2/h11-14,23-24,27-28H,3-10,15-22H2,1-2H3/t23-,24-/m0/s1 |
PubChem CID | 71455186 |
ChEMBL | N/A |
IUPHAR | N/A |
BindingDB | 50396848 |
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 |
---|---|---|---|---|---|
37008 | C-X-C chemokine receptor type 4 | P61073 | CXCR4 | Homo sapiens (Human) | 352 |
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