CHEMBL2392179
| SMILES | COc1ccc(C(=O)Nc2cc(Br)cc3c(=O)cc(C(=O)O)oc23)c(Cl)c1 |
| InChIKey | OHKLHXMRSPNFAH-UHFFFAOYSA-N |
Chemical properties
| Hydrogen bond acceptors | 5 |
| Hydrogen bond donors | 2 |
| Rotatable bonds | 4 |
| Molecular weight (Da) | 450.9 |
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 | 8.95 | 8.95 | 8.95 | ChEMBL |
| Receptor | Activity | Source | |||||||
|---|---|---|---|---|---|---|---|---|---|
| GTP | Uniprot | Species | Family | Class | Type | Min | Avg | Max | Database |
| GPR35 | Q33BM1 | Rat | A orphans | A | pEC50 | 5.38 | 5.38 | 5.38 | ChEMBL |
| GPR55 | GPR55 | Human | GPR18, GPR55 and GPR119 | A | pIC50 | 4.66 | 4.66 | 4.66 | ChEMBL |
| GPR35 | GPR35 | Human | A orphans | A | pEC50 | 7.83 | 7.93 | 7.96 | ChEMBL |