CHEMBL6045595
| SMILES | CC[C@@H](c1cccc(C#N)c1)n1c(COC(C)C)nc(=O)c(S(=O)(=O)c2ccc(-c3ccccc3C(N)=O)cc2)c1O |
| InChIKey | KTJVEIYFQNKAKD-SANMLTNESA-N |
Chemical properties
| Hydrogen bond acceptors | 9 |
| Hydrogen bond donors | 2 |
| Rotatable bonds | 10 |
| Molecular weight (Da) | 586.2 |
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 |
| Receptor | Activity | Source | |||||||
|---|---|---|---|---|---|---|---|---|---|
| GTP | Uniprot | Species | Family | Class | Type | Min | Avg | Max | Database |
| apelin | APJ | Human | Apelin | A | pEC50 | 8.3 | 8.3 | 8.3 | ChEMBL |