relugolix
| SMILES | CONC(=O)Nc1ccc(cc1)c1sc2c(c1CN(C)C)c(=O)n(c(=O)n2Cc1c(F)cccc1F)c1ccc(nn1)OC |
| InChIKey | AOMXMOCNKJTRQP-UHFFFAOYSA-N |
Chemical properties
| Hydrogen bond acceptors | 11 |
| Hydrogen bond donors | 2 |
| Rotatable bonds | 9 |
| Molecular weight (Da) | 623.2 |
Drug properties
| Molecular type | Small molecule |
| Physiological/Surrogate | Surrogate |
| Approved drug | Yes |
Database connections
Bioactivities
| Receptor | Activity | Source | |||||||
|---|---|---|---|---|---|---|---|---|---|
| GTP | Uniprot | Species | Family | Class | Type | Min | Avg | Max | Database |
| GnRH1 | GNRHR | Human | Gonadotrophin-releasing hormone | A | pKd | 9.08 | 9.25 | 9.43 | ChEMBL |
| Receptor | Activity | Source | |||||||
|---|---|---|---|---|---|---|---|---|---|
| GTP | Uniprot | Species | Family | Class | Type | Min | Avg | Max | Database |
| GnRH1 | GNRHR | Human | Gonadotrophin-releasing hormone | A | pIC50 | 9.48 | 9.48 | 9.48 | Guide to Pharmacology |
| GnRH1 | GNRHR | Rat | Gonadotrophin-releasing hormone | A | pIC50 | 9.48 | 9.48 | 9.48 | Guide to Pharmacology |
| GnRH1 | GNRHR | Rat | Gonadotrophin-releasing hormone | A | pIC50 | 9.49 | 9.49 | 9.49 | ChEMBL |
| GnRH1 | GNRHR | Human | Gonadotrophin-releasing hormone | A | pIC50 | 7.75 | 9.18 | 10.1 | ChEMBL |
| GnRH1 | GNRHR | Human | Gonadotrophin-releasing hormone | A | pIC50 | 8.0 | 8.0 | 8.0 | Drug Central |
| GnRH1 | GNRHR | Rat | Gonadotrophin-releasing hormone | A | pIC50 | 8.02 | 8.02 | 8.02 | Drug Central |