CHEMBL1809006
SMILES | CN1CCN(C(=O)[C@@H]2C=C3c4cccc5[nH]cc(c45)C[C@H]3N(C(=O)Nc3ccccc3)C2)CC1 |
InChIKey | CVGQIJAZGUTYJV-NTKDMRAZSA-N |
Chemical properties
Hydrogen bond acceptors | 3 |
Hydrogen bond donors | 2 |
Rotatable bonds | 2 |
Molecular weight (Da) | 455.2 |
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 | 6.95 | 6.95 | 6.95 | ChEMBL |
CXCR3 | CXCR3 | Human | Chemokine | A | pIC50 | 6.88 | 6.98 | 7.08 | ChEMBL |