CHEMBL1086108
SMILES | Cc1c(CCC(=O)Nc2ccccc2C(=O)O)cnn1-c1ccc(O)cn1 |
InChIKey | KJDBKYUMMLVJEK-UHFFFAOYSA-N |
Chemical properties
Hydrogen bond acceptors | 6 |
Hydrogen bond donors | 3 |
Rotatable bonds | 6 |
Molecular weight (Da) | 366.1 |
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 | 6.12 | 6.12 | 6.12 | ChEMBL |
HCA2 | HCAR2 | Human | Hydroxycarboxylic acid | A | pIC50 | 7.82 | 7.82 | 7.82 | ChEMBL |