BAY1214784
| SMILES | ClC1=C(CNC(C2=CC=C3N(S(=O)(C4=CC=C(F)C=C4)=O)[C@@H](C5CC5)C6(CCS(CC6)(=O)=O)C3=C2)=O)N=CC(C(F)(F)F)=C1 |
| InChIKey | PZGSYNNVPNLHQG-SANMLTNESA-N |
Chemical properties
| Hydrogen bond acceptors | 6 |
| Hydrogen bond donors | 1 |
| Rotatable bonds | 6 |
| Molecular weight (Da) | 671.1 |
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 |
| GnRH1 | GNRHR | Human | Gonadotrophin-releasing hormone | A | pKd | 8.01 | 8.13 | 8.26 | ChEMBL |
| Receptor | Activity | Source | |||||||
|---|---|---|---|---|---|---|---|---|---|
| GTP | Uniprot | Species | Family | Class | Type | Min | Avg | Max | Database |
| GnRH1 | GNRHR | Human | Gonadotrophin-releasing hormone | A | pIC50 | 7.68 | 7.68 | 7.68 | Guide to Pharmacology |
| CB1 | CNR1 | Human | Cannabinoid | A | pIC50 | 5.46 | 5.46 | 5.47 | ChEMBL |
| GnRH1 | GNRHR | Human | Gonadotrophin-releasing hormone | A | pIC50 | 7.57 | 7.62 | 7.68 | ChEMBL |
| GnRH1 | GNRHR | Rat | Gonadotrophin-releasing hormone | A | pIC50 | 7.62 | 7.62 | 7.62 | ChEMBL |