CHEMBL4203303
| SMILES | CN1CCN(c2cc(CN(CCCCNC(=O)OC(C)(C)C)C3CCCc4cccnc43)ncn2)CC1 |
| InChIKey | NTBMKKAGZYVRGZ-UHFFFAOYSA-N |
Chemical properties
| Hydrogen bond acceptors | 8 |
| Hydrogen bond donors | 1 |
| Rotatable bonds | 9 |
| Molecular weight (Da) | 509.3 |
Drug properties
| Molecular type | Small molecule |
| Physiological/Surrogate | Surrogate |
| Approved drug | No |
Database connections
Sankey plot
Compound is not listed as a drug.
Bioactivities
| Receptor | Activity | Source | |||||||
|---|---|---|---|---|---|---|---|---|---|
| GTP | Uniprot | Species | Family | Class | Type | Min | Avg | Max | Database |
| Receptor | Activity | Source | |||||||
|---|---|---|---|---|---|---|---|---|---|
| GTP | Uniprot | Species | Family | Class | Type | Min | Avg | Max | Database |
| CXCR4 | CXCR4 | Human | Chemokine | A | pIC50 | 7.75 | 7.75 | 7.75 | ChEMBL |