BAY-899
| SMILES | O=C(Nc1cnc(Oc2ccc(F)cc2)nc1)N1CCc2ncccc2[C@@H]1c1ccc(F)cc1 |
| InChIKey | VKQBTIMLSDGNLG-QHCPKHFHSA-N |
Chemical properties
| Hydrogen bond acceptors | 5 |
| Hydrogen bond donors | 1 |
| Rotatable bonds | 4 |
| Molecular weight (Da) | 459.2 |
Drug properties
| Molecular type | Small molecule |
| Physiological/Surrogate | Surrogate |
| Approved drug | No |
Database connections
Sankey plot
Compound is not listed as a drug.
Bioactivities
| Receptor | Activity | Source | |||||||
|---|---|---|---|---|---|---|---|---|---|
| GTP | Uniprot | Species | Family | Class | Type | Min | Avg | Max | Database |
| κ | OPRK | Human | Opioid | A | pKi | 5.12 | 5.12 | 5.12 | ChEMBL |
| Receptor | Activity | Source | |||||||
|---|---|---|---|---|---|---|---|---|---|
| GTP | Uniprot | Species | Family | Class | Type | Min | Avg | Max | Database |
| LH | LSHR | Rat | Glycoprotein hormone | A | pIC50 | 7.34 | 7.34 | 7.34 | ChEMBL |
| LH | LSHR | Human | Glycoprotein hormone | A | pIC50 | 6.73 | 6.73 | 6.73 | ChEMBL |
| TSH | TSHR | Human | Glycoprotein hormone | A | pIC50 | 4.62 | 4.62 | 4.62 | ChEMBL |