TOLCAPONE
SMILES | Cc1ccc(C(=O)c2cc(O)c(O)c([N+](=O)[O-])c2)cc1 |
InChIKey | MIQPIUSUKVNLNT-UHFFFAOYSA-N |
Chemical properties
Hydrogen bond acceptors | 5 |
Hydrogen bond donors | 2 |
Rotatable bonds | 3 |
Molecular weight (Da) | 273.1 |
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 |
GPR35 | GPR35 | Human | A orphans | A | pEC50 | 4.31 | 4.72 | 5.13 | ChEMBL |
GPR35 | GPR35 | Human | A orphans | A | pEC50 | 8.29 | 8.29 | 8.29 | Drug Central |