CHEMBL4177037
| SMILES | CC(C)C[C@H](CC(=O)O)C(=O)N(c1nc(-c2ccccc2-c2ccc(-n3cccn3)nc2)cs1)C1CC1 |
| InChIKey | IXPCRDWXEVHUJM-HXUWFJFHSA-N |
Chemical properties
| Hydrogen bond acceptors | 7 |
| Hydrogen bond donors | 1 |
| Rotatable bonds | 10 |
| Molecular weight (Da) | 515.2 |
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 |
| FFA2 | FFAR2 | Human | Free fatty acid | A | pKi | 6.8 | 6.8 | 6.8 | ChEMBL |
| Receptor | Activity | Source | |||||||
|---|---|---|---|---|---|---|---|---|---|
| GTP | Uniprot | Species | Family | Class | Type | Min | Avg | Max | Database |
| FFA2 | FFAR2 | Mouse | Free fatty acid | A | pEC50 | 7.0 | 7.0 | 7.0 | ChEMBL |
| FFA2 | FFAR2 | Human | Free fatty acid | A | pEC50 | 7.6 | 7.6 | 7.6 | ChEMBL |