CHEMBL4643073
SMILES | CCCCN1CC(C(=O)O)=C(NC(=O)CCc2ccc3c(Cl)c(O)ccc3c2)C1=O |
InChIKey | FKUOGFZBLYAXKM-UHFFFAOYSA-N |
Chemical properties
Hydrogen bond acceptors | 4 |
Hydrogen bond donors | 3 |
Rotatable bonds | 8 |
Molecular weight (Da) | 430.1 |
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 | pEC50 | 5.85 | 5.85 | 5.85 | ChEMBL |
HCA2 | HCAR2 | Human | Hydroxycarboxylic acid | A | pIC50 | 6.39 | 6.39 | 6.39 | ChEMBL |