CHEMBL3608763
SMILES | c1ccc(Cc2cn[nH]c2C2CCN(Cc3ccncc3)CC2)cc1 |
InChIKey | DZLOTZYSSWSJCR-UHFFFAOYSA-N |
Chemical properties
Hydrogen bond acceptors | 3 |
Hydrogen bond donors | 1 |
Rotatable bonds | 5 |
Molecular weight (Da) | 332.2 |
Drug properties
Molecular type | Small molecule |
Physiological/Surrogate | Surrogate |
Approved drug | No |
Database connections
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 | pEC50 | 4.16 | 4.22 | 4.28 | ChEMBL |
CXCR4 | CXCR4 | Human | Chemokine | A | pIC50 | 5.0 | 5.46 | 5.92 | ChEMBL |
CCR5 | CCR5 | Human | Chemokine | A | pIC50 | 4.44 | 4.44 | 4.44 | ChEMBL |