tertatolol
| SMILES | OC(COc1cccc2c1SCCC2)CNC(C)(C)C |
| InChIKey | HTWFXPCUFWKXOP-UHFFFAOYSA-N |
Chemical properties
| Hydrogen bond acceptors | 4 |
| Hydrogen bond donors | 2 |
| Rotatable bonds | 5 |
| Molecular weight (Da) | 295.2 |
Drug properties
| Molecular type | Small molecule |
| Endogenous/Surrogate | Surrogate |
| Approved drug | Yes |
Database connections
| Ligand site mutations | β3 |
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 | 7.57 | 7.62 | 7.68 | ChEMBL |
| GnRH1 | GNRHR | Human | Gonadotrophin-releasing hormone | A | pIC50 | 7.68 | 7.68 | 7.68 | Guide to Pharmacology |
| CB1 | CNR1 | Human | Cannabinoid | A | pIC50 | 5.47 | 5.47 | 5.47 | ChEMBL |
| GnRH1 | GNRHR | Rat | Gonadotrophin-releasing hormone | A | pIC50 | 7.62 | 7.62 | 7.62 | ChEMBL |