CHEMBL2434978
SMILES | O=C(O)c1ccc(Sc2ccc(CN3CCC(N4C(=O)N(C5CCOCC5)C[C@H]4c4ccccc4)CC3)cn2)cc1 |
InChIKey | BZKHTWAGPLWPPO-LJAQVGFWSA-N |
Chemical properties
Hydrogen bond acceptors | 6 |
Hydrogen bond donors | 1 |
Rotatable bonds | 8 |
Molecular weight (Da) | 572.2 |
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 |
CCR4 | CCR4 | Human | Chemokine | A | pIC50 | 5.43 | 5.43 | 5.43 | ChEMBL |
CCR5 | CCR5 | Human | Chemokine | A | pIC50 | 9.05 | 9.05 | 9.05 | ChEMBL |