compound B [PMID:18477808]
| SMILES | O=C1NC(=O)C(S1)Cc1ccc(cc1C)Oc1ncc(cc1Cl)C(F)(F)F |
| InChIKey | ZAMASFSDWVSMSY-UHFFFAOYSA-N |
Chemical properties
| Hydrogen bond acceptors | 5 |
| Hydrogen bond donors | 1 |
| Rotatable bonds | 4 |
| Molecular weight (Da) | 416.0 |
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 |
| FFA1 | FFAR1 | Human | Free fatty acid | A | pKi | 7.16 | 7.16 | 7.16 | ChEMBL |
| Receptor | Activity | Source | |||||||
|---|---|---|---|---|---|---|---|---|---|
| GTP | Uniprot | Species | Family | Class | Type | Min | Avg | Max | Database |
| FFA1 | FFAR1 | Human | Free fatty acid | A | pEC50 | 6.1 | 6.1 | 6.1 | Guide to Pharmacology |
| FFA1 | FFAR1 | Human | Free fatty acid | A | pEC50 | 6.75 | 7.27 | 8.0 | ChEMBL |