CHEMBL5865025
| SMILES | COc1cccc(OC)c1-n1c(NS(=O)(=O)[C@@H](C)[C@H](C)c2ncc(F)c([C@@H]3COCCO3)n2)nnc1-c1cccc(OCC(O)(C(F)(F)F)C(F)(F)F)n1 |
| InChIKey | ABUJXGZXWOPYQX-HOIFWPIMSA-N |
Chemical properties
| Hydrogen bond acceptors | 14 |
| Hydrogen bond donors | 2 |
| Rotatable bonds | 13 |
| Molecular weight (Da) | 795.2 |
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 | 6.48 | 6.64 | 6.8 | ChEMBL |