CHEMBL222472
SMILES | CC1(c2cc(Br)cs2)OC(C(=O)O)=CC1=O |
InChIKey | YHFHOBUUFHAIJY-UHFFFAOYSA-N |
Chemical properties
Hydrogen bond acceptors | 4 |
Hydrogen bond donors | 1 |
Rotatable bonds | 2 |
Molecular weight (Da) | 301.9 |
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 |
HCA3 | HCAR3 | Human | Hydroxycarboxylic acid | A | pEC50 | 5.39 | 5.39 | 5.39 | ChEMBL |
HCA2 | HCAR2 | Human | Hydroxycarboxylic acid | A | pEC50 | 6.13 | 6.13 | 6.13 | ChEMBL |