etalocib
| SMILES | CCCc1c(OCCCOc2cc(O)c(cc2CC)c2ccc(cc2)F)cccc1Oc1ccccc1C(=O)O |
| InChIKey | YFIZRWPXUYFCSN-UHFFFAOYSA-N |
Chemical properties
| Hydrogen bond acceptors | 5 |
| Hydrogen bond donors | 2 |
| Rotatable bonds | 13 |
| Molecular weight (Da) | 544.2 |
Drug properties
| Molecular type | Small molecule |
| Endogenous/Surrogate | Surrogate |
| Approved drug | Yes |
Database connections
Bioactivities
| Receptor | Activity | Source | |||||||
|---|---|---|---|---|---|---|---|---|---|
| GTP | Uniprot | Species | Family | Class | Type | Min | Avg | Max | Database |
| GPR35 | GPR35 | Human | A orphans | A | pKi | 7.94 | 7.94 | 7.94 | ChEMBL |
| Receptor | Activity | Source | |||||||
|---|---|---|---|---|---|---|---|---|---|
| GTP | Uniprot | Species | Family | Class | Type | Min | Avg | Max | Database |
| GPR35 | GPR35 | Human | A orphans | A | pEC50 | 7.29 | 7.29 | 7.29 | Guide to Pharmacology |
| GPR35 | Q33BM1 | Rat | A orphans | A | pEC50 | 3.0 | 4.0 | 5.0 | Guide to Pharmacology |
| GPR35 | GPR35 | Human | A orphans | A | pEC50 | 5.92 | 7.41 | 8.7 | ChEMBL |