NBI-42902
| SMILES | COc1cccc(c1F)c1c(=O)n(C[C@@H](c2ccccc2)N)c(=O)n(c1C)Cc1c(F)cccc1F |
| InChIKey | CJUWBZDJMYYRDG-QFIPXVFZSA-N |
Chemical properties
| Hydrogen bond acceptors | 6 |
| Hydrogen bond donors | 1 |
| Rotatable bonds | 7 |
| Molecular weight (Da) | 495.2 |
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 | pKi | 8.46 | 9.14 | 9.25 | ChEMBL |
| GnRH1 | GNRHR | Human | Gonadotrophin-releasing hormone | A | pKi | 9.0 | 9.23 | 9.5 | Guide to Pharmacology |
| GnRH1 | GNRHR | Human | Gonadotrophin-releasing hormone | A | pKd | 9.7 | 9.7 | 9.7 | Guide to Pharmacology |
| Receptor | Activity | Source | |||||||
|---|---|---|---|---|---|---|---|---|---|
| GTP | Uniprot | Species | Family | Class | Type | Min | Avg | Max | Database |
| GnRH1 | GNRHR | Human | Gonadotrophin-releasing hormone | A | pIC50 | 5.28 | 8.34 | 9.3 | ChEMBL |