Chembl4079460
Chemical Properties
| SMILES | Cc1cc(N(C)C2CCN(C(=O)CCNCC(=O)O)CC2)nc(NCc2cn(CCCNCCCNC3CCCCC3)nn2)n1 |
| Hydrogen bond acceptors | 12 |
| Hydrogen bond donors | 5 |
| Rotatable bonds | 19 |
| Molecular weight | 627.4 |
Drug Properties
| Type | Small molecule |
| Endogenous | No |
| Approved | No |
| InChIKey | XXEHPLDPTJSSFU-UHFFFAOYSA-N |
Bioactivity
| Receptor | Experimental Data | Source | |||||||
|---|---|---|---|---|---|---|---|---|---|
| GTP | Uniprot | Species | Family | Class | Type | Min | Avg | Max | Database |
| CXCR4 | CXCR4 | Human | Chemokine | A | pIC50 | 7.01 | 7.01 | 7.01 | ChEMBL |