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Name | CHEMBL3357471 |
---|---|
Molecular formula | C27H39N7O |
IUPAC name | 2-[4-[(2S,5S)-1-[4-(diaminomethylideneamino)butyl]-2-(2-naphthalen-2-ylethyl)-6-oxo-2,5-dihydropyridin-5-yl]butyl]guanidine |
Molecular weight | 477.657 |
Hydrogen bond acceptor | 3 |
Hydrogen bond donor | 4 |
XlogP | 2.4 |
Synonyms | BDBM50100611 |
Inchi Key | CNUGCOIAPXGYMM-UPVQGACJSA-N |
Inchi ID | InChI=1S/C27H39N7O/c28-26(29)32-16-4-3-8-22-13-15-24(34(25(22)35)18-6-5-17-33-27(30)31)14-11-20-10-12-21-7-1-2-9-23(21)19-20/h1-2,7,9-10,12-13,15,19,22,24H,3-6,8,11,14,16-18H2,(H4,28,29,32)(H4,30,31,33)/t22-,24-/m0/s1 |
PubChem CID | 118722241 |
ChEMBL | CHEMBL3357471 |
IUPHAR | N/A |
BindingDB | 50100611 |
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 |
---|---|---|---|---|---|
443497 | C-X-C chemokine receptor type 4 | P61073 | CXCR4 | Homo sapiens (Human) | 352 |
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