CHEMBL278054 [198997]
CHEMBL278054
| SMILES | c1cc(CN2CCCNCCNCCCNCC2)nc(CN2CCCNCCNCCCNCC2)c1 |
| InChIKey | BKJDPXSXCZMISN-UHFFFAOYSA-N |
Chemical Properties
| Hydrogen bond acceptors | 9 |
| Hydrogen bond donors | 6 |
| Rotatable bonds | 4 |
| Log P | -0.189 |
| Molecular weight (Da) | 503.4 |
| Stereochemistry info | unspecified |
Database connections
| Ligand site mutations | CXCR4 |
Bioactivities
| Receptor | Activity | Source | |||||||
|---|---|---|---|---|---|---|---|---|---|
| Protein | Gene | Species | Family | Class | Type | Min | Avg | Max | Database |
| Receptor | Activity | Source | |||||||
|---|---|---|---|---|---|---|---|---|---|
| Protein | Gene | Species | Family | Class | Type | Min | Avg | Max | Database |
CHEMBL278054
Drug properties
| Molecular type | Small molecule |
| Physiological/Surrogate | Surrogate |
| Approved drug | No |
Distribution across phases (no. indications)
Phase I
0
Phase II
0
Phase III
0
Phase IV
0
Database connections
| Ligand site mutations | CXCR4 |