CHEMBL4878979
SMILES | COc1ccccc1-c1cc2cc(C(=O)O)c(=O)oc2c2cc(C(=O)O)c(=O)oc12 |
InChIKey | CMQPAVILLUFNAX-UHFFFAOYSA-N |
Chemical properties
Hydrogen bond acceptors | 7 |
Hydrogen bond donors | 2 |
Rotatable bonds | 4 |
Molecular weight (Da) | 408.0 |
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 |
GPR35 | GPR35 | Human | A orphans | A | pKi | 7.55 | 7.55 | 7.55 | ChEMBL |
Receptor | Activity | Source | |||||||
---|---|---|---|---|---|---|---|---|---|
GTP | Uniprot | Species | Family | Class | Type | Min | Avg | Max | Database |
GPR35 | GPR35 | Human | A orphans | A | pEC50 | 7.08 | 7.08 | 7.08 | ChEMBL |
GPR35 | GPR35 | Human | A orphans | A | pIC50 | 6.32 | 6.99 | 7.66 | ChEMBL |