CHEMBL5560417
| SMILES | COc1cc(C#N)c(O[C@H]2CC[C@@](C)(C(=O)O)CC2)cc1C(=O)N[C@@H]1[C@H]2CC[C@H](C2)[C@@H]1C(=O)NC12CC(F)(C1)C2 |
| InChIKey | ZVAVUQOWYWHESE-PDHPKJPMSA-N |
Chemical properties
| Hydrogen bond acceptors | 6 |
| Hydrogen bond donors | 3 |
| Rotatable bonds | 8 |
| Molecular weight (Da) | 553.3 |
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 |
| RXFP1 | RXFP1 | Rat | Relaxin family peptide | A | pEC50 | 4.98 | 4.98 | 4.98 | ChEMBL |
| RXFP1 | RXFP1 | Human | Relaxin family peptide | A | pEC50 | 7.6 | 7.6 | 7.6 | ChEMBL |