CHEMBL2392174
| SMILES | COc1ccc(C(=O)Nc2cc(Br)cc3c(=O)cc(C(=O)O)oc23)cc1 |
| InChIKey | TZKQFDIFVZAYER-UHFFFAOYSA-N |
Chemical properties
| Hydrogen bond acceptors | 5 |
| Hydrogen bond donors | 2 |
| Rotatable bonds | 4 |
| Molecular weight (Da) | 417.0 |
Drug properties
| Molecular type | Small molecule |
| Physiological/Surrogate | Surrogate |
| Approved drug | No |
Database connections
Sankey plot
Compound is not listed as a drug.
Bioactivities
| Receptor | Activity | Source | |||||||
|---|---|---|---|---|---|---|---|---|---|
| GTP | Uniprot | Species | Family | Class | Type | Min | Avg | Max | Database |
| GPR35 | GPR35 | Human | A orphans | A | pKd | 6.94 | 7.93 | 8.28 | ChEMBL |
| GPR35 | GPR35 | Human | A orphans | A | pKi | 8.29 | 8.29 | 8.29 | ChEMBL |
| Receptor | Activity | Source | |||||||
|---|---|---|---|---|---|---|---|---|---|
| GTP | Uniprot | Species | Family | Class | Type | Min | Avg | Max | Database |
| GPR35 | Q33BM1 | Rat | A orphans | A | pEC50 | 5.85 | 5.85 | 5.85 | ChEMBL |
| GPR55 | GPR55 | Human | GPR18, GPR55 and GPR119 | A | pIC50 | 4.66 | 4.66 | 4.66 | ChEMBL |
| GPR35 | GPR35 | Human | A orphans | A | pEC50 | 7.66 | 7.86 | 7.92 | ChEMBL |