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 |
| Endogenous/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 |