CHEMBL5859238
| SMILES | COc1cccc(-c2nnc(NS(=O)(=O)[C@@H]3CCCN(c4ncc(Cl)cn4)C3)n2-c2c(OC)ncnc2OC)n1 |
| InChIKey | MTXODDMUWQAWNF-OAHLLOKOSA-N |
Chemical properties
| Hydrogen bond acceptors | 14 |
| Hydrogen bond donors | 1 |
| Rotatable bonds | 9 |
| Molecular weight (Da) | 588.1 |
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 | 7.85 | 8.45 | 9.05 | ChEMBL |