MRS2179
| SMILES | CNc1ncnc2c1ncn2[C@H]1C[C@@H]([C@H](O1)COP(=O)(O)[O-])OP(=O)(O)[O-] |
| InChIKey | CCPLITQNIFLYQB-XLPZGREQSA-L |
Chemical properties
| Hydrogen bond acceptors | 12 |
| Hydrogen bond donors | 3 |
| Rotatable bonds | 7 |
| Molecular weight (Da) | 423.0 |
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 | Human | Gonadotrophin-releasing hormone | A | pKd | 7.66 | 8.1 | 8.54 | Guide to Pharmacology |
| GnRH1 | GNRHR | Human | Gonadotrophin-releasing hormone | A | pKi | 7.3 | 8.0 | 8.4 | Guide to Pharmacology |
| GnRH1 | GNRHR | Rat | Gonadotrophin-releasing hormone | A | pKi | 6.8 | 6.8 | 6.8 | Guide to Pharmacology |
| Receptor | Activity | Source | |||||||
|---|---|---|---|---|---|---|---|---|---|
| GTP | Uniprot | Species | Family | Class | Type | Min | Avg | Max | Database |
| GnRH1 | GNRHR | Human | Gonadotrophin-releasing hormone | A | pEC50 | 10.0 | 10.0 | 10.0 | Guide to Pharmacology |
| GnRH1 | GNRHR | Human | Gonadotrophin-releasing hormone | A | pIC50 | 8.6 | 8.6 | 8.6 | Guide to Pharmacology |
| GnRH1 | GNRHR | Rat | Gonadotrophin-releasing hormone | A | pIC50 | 7.7 | 7.7 | 7.7 | Guide to Pharmacology |
| GnRH1 | GNRHR | Mouse | Gonadotrophin-releasing hormone | A | pIC50 | 8.3 | 8.3 | 8.3 | Guide to Pharmacology |
| GnRH1 | GNRHR | Mouse | Gonadotrophin-releasing hormone | A | pEC50 | 7.77 | 7.85 | 7.92 | Guide to Pharmacology |