CHEMBL5762927
| SMILES | COc1cccc(-c2nnc(NS(=O)(=O)[C@@H](C)C(c3ncc(C)cn3)N3CC(OC)C3)n2-c2c(OC)cccc2OC)n1 |
| InChIKey | ZURKCDFHOPDMMB-VEXWJQHLSA-N |
Chemical properties
| Hydrogen bond acceptors | 13 |
| Hydrogen bond donors | 1 |
| Rotatable bonds | 12 |
| Molecular weight (Da) | 610.2 |
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 | 7.82 | 8.81 | 9.8 | ChEMBL |