T-98475
| SMILES | CC(OC(=O)c1cn(Cc2c(F)cccc2F)c2c(c1=O)c(CN(Cc1ccccc1)C)c(s2)c1ccc(cc1)NC(=O)C(C)C)C |
| InChIKey | RANJJVIMTOIWIN-UHFFFAOYSA-N |
Chemical properties
| Hydrogen bond acceptors | 7 |
| Hydrogen bond donors | 1 |
| Rotatable bonds | 11 |
| Molecular weight (Da) | 657.2 |
Drug properties
| Molecular type | Small molecule |
| Endogenous/Surrogate | Surrogate |
| Approved drug | No |
Database connections
Bioactivities
| Receptor | Activity | Source | |||||||
|---|---|---|---|---|---|---|---|---|---|
| GTP | Uniprot | Species | Family | Class | Type | Min | Avg | Max | Database |
| GnRH1 | GNRHR | Rat | Gonadotrophin-releasing hormone | A | pKi | 7.22 | 7.22 | 7.22 | ChEMBL |
| GnRH1 | GNRHR | Human | Gonadotrophin-releasing hormone | A | pKi | 9.7 | 9.8 | 10.0 | ChEMBL |
| Receptor | Activity | Source | |||||||
|---|---|---|---|---|---|---|---|---|---|
| GTP | Uniprot | Species | Family | Class | Type | Min | Avg | Max | Database |
| GnRH1 | GNRHR | Rat | Gonadotrophin-releasing hormone | A | pIC50 | 7.22 | 7.62 | 9.22 | ChEMBL |
| GnRH1 | GNRHR | Human | Gonadotrophin-releasing hormone | A | pIC50 | 7.22 | 9.07 | 9.7 | ChEMBL |
| GnRH1 | GNRHR | Human | Gonadotrophin-releasing hormone | A | pIC50 | 9.7 | 9.7 | 9.7 | Guide to Pharmacology |