CHEMBL3818101
| SMILES | COc1cccc(OC)c1-c1cc(C(=O)N[C@H](CC(=O)O)CC(C)C)nn1-c1ccc(F)cc1 |
| InChIKey | TUNZYSMSTFSVDK-KRWDZBQOSA-N |
Chemical properties
| Hydrogen bond acceptors | 6 |
| Hydrogen bond donors | 2 |
| Rotatable bonds | 10 |
| Molecular weight (Da) | 469.2 |
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 |
| apelin | APJ | Human | Apelin | A | pKi | 6.22 | 6.22 | 6.22 | ChEMBL |
| Receptor | Activity | Source | |||||||
|---|---|---|---|---|---|---|---|---|---|
| GTP | Uniprot | Species | Family | Class | Type | Min | Avg | Max | Database |
| apelin | APJ | Human | Apelin | A | pEC50 | 5.03 | 5.03 | 5.03 | ChEMBL |