5-methyl-5-(5-methylthiophen-3-yl)-4-oxo-4,5-dihydrofuran-2-carboxylic acid
SMILES | Cc1scc(c1)C1(C)OC(=CC1=O)C(=O)O |
InChIKey | NNWGOUJBCKZULC-UHFFFAOYSA-N |
Chemical properties
Hydrogen bond acceptors | 4 |
Hydrogen bond donors | 1 |
Rotatable bonds | 2 |
Molecular weight (Da) | 238.0 |
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 | 6.7 | 6.7 | 6.7 | Guide to Pharmacology |
HCA3 | HCAR3 | Human | Hydroxycarboxylic acid | A | pEC50 | 5.3 | 6.27 | 6.75 | ChEMBL |
HCA2 | HCAR2 | Human | Hydroxycarboxylic acid | A | pEC50 | 6.43 | 6.53 | 6.62 | ChEMBL |