CHEMBL1809027
SMILES | O=C([C@@H]1C=C2c3cccc4[nH]cc(c34)C[C@H]2N(C(=O)NC2CCCC2)C1)N1CCCC1 |
InChIKey | WTAYQRJTVWIWEB-VGOFRKELSA-N |
Chemical properties
Hydrogen bond acceptors | 2 |
Hydrogen bond donors | 2 |
Rotatable bonds | 2 |
Molecular weight (Da) | 418.2 |
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 |
CXCR3 | CXCR3 | Mouse | Chemokine | A | pIC50 | 7.09 | 7.09 | 7.09 | ChEMBL |
CXCR3 | CXCR3 | Human | Chemokine | A | pIC50 | 6.8 | 6.97 | 7.14 | ChEMBL |