CHEMBL1086029
SMILES | Cn1nccc1C1CCC(NC(=O)CCc2ccc3cc(O)ccc3c2)=C(C(=O)O)C1 |
InChIKey | GJTMXIQJSWMHLR-UHFFFAOYSA-N |
Chemical properties
Hydrogen bond acceptors | 5 |
Hydrogen bond donors | 3 |
Rotatable bonds | 6 |
Molecular weight (Da) | 419.2 |
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 |
HCA2 | HCAR2 | Human | Hydroxycarboxylic acid | A | pIC50 | 7.85 | 7.85 | 7.85 | ChEMBL |
HCA2 | HCAR2 | Human | Hydroxycarboxylic acid | A | pEC50 | 6.32 | 6.32 | 6.32 | ChEMBL |