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Name | CHEMBL3902257 |
---|---|
Molecular formula | C26H36N8O2S |
IUPAC name | 2-[3-[(6S)-3-[3-(diaminomethylideneamino)propyl]-8-(naphthalen-2-ylmethyl)-4,7-dioxo-3,6,9,9a-tetrahydro-2H-pyrazino[2,1-b][1,3]thiazin-6-yl]propyl]guanidine |
Molecular weight | 524.688 |
Hydrogen bond acceptor | 5 |
Hydrogen bond donor | 4 |
XlogP | 0.7 |
Synonyms | BDBM50207535 |
Inchi Key | AXUYHQGZBGMDGJ-ORFBVSJDSA-N |
Inchi ID | InChI=1S/C26H36N8O2S/c27-25(28)31-11-3-7-20-16-37-22-15-33(14-17-9-10-18-5-1-2-6-19(18)13-17)24(36)21(34(22)23(20)35)8-4-12-32-26(29)30/h1-2,5-6,9-10,13,20-22H,3-4,7-8,11-12,14-16H2,(H4,27,28,31)(H4,29,30,32)/t20?,21-,22?/m0/s1 |
PubChem CID | 134135691 |
ChEMBL | CHEMBL3902257 |
IUPHAR | N/A |
BindingDB | 50207535 |
DrugBank | N/A |
Structure | |
Lipinski's druglikeness | This ligand is heavier than 500 daltons. |
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GLASS ID | Name | UniProt | Gene | Species | Length |
---|---|---|---|---|---|
548089 | C-X-C chemokine receptor type 4 | P61073 | CXCR4 | Homo sapiens (Human) | 352 |
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