WIN55212-2
| SMILES | O=C(c1c(C)n2c3c1cccc3OC[C@H]2CN1CCOCC1)c1cccc2c1cccc2 |
| InChIKey | HQVHOQAKMCMIIM-HXUWFJFHSA-N |
Chemical properties
| Hydrogen bond acceptors | 5 |
| Hydrogen bond donors | 0 |
| Rotatable bonds | 4 |
| Molecular weight (Da) | 426.2 |
Drug properties
| Molecular type | Small molecule |
| Endogenous/Surrogate | Surrogate |
| Approved drug | Yes |
Database connections
| Structure pdb | 6PT0 |
Bioactivities
| Receptor | Activity | Source | |||||||
|---|---|---|---|---|---|---|---|---|---|
| GTP | Uniprot | Species | Family | Class | Type | Min | Avg | Max | Database |
| GnRH1 | GNRHR | Human | Gonadotrophin-releasing hormone | A | pKd | 9.52 | 9.96 | 10.4 | Guide to Pharmacology |
| GnRH1 | GNRHR | Human | Gonadotrophin-releasing hormone | A | pKi | 9.4 | 9.7 | 10.0 | Guide to Pharmacology |
| LH | LSHR | Human | Glycoprotein hormone | A | pKd | 8.07 | 8.07 | 8.07 | Drug Central |
| Receptor | Activity | Source | |||||||
|---|---|---|---|---|---|---|---|---|---|
| GTP | Uniprot | Species | Family | Class | Type | Min | Avg | Max | Database |
| GnRH1 | GNRHR | Human | Gonadotrophin-releasing hormone | A | pEC50 | 10.52 | 10.52 | 10.52 | Guide to Pharmacology |
| GnRH1 | GNRHR | Mouse | Gonadotrophin-releasing hormone | A | pEC50 | 9.34 | 9.7 | 10.05 | Guide to Pharmacology |
| GnRH1 | GNRHR | Human | Gonadotrophin-releasing hormone | A | pEC50 | 7.98 | 7.98 | 7.98 | Drug Central |
| GnRH1 | GNRHR | Mouse | Gonadotrophin-releasing hormone | A | pEC50 | 8.0 | 8.0 | 8.0 | Drug Central |