MRS2690 [5402]
MRS2690
| SMILES | O=c1ccn([C@@H]2O[C@H](COP(=O)(O[Na])OP(=O)(O[Na])O[C@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)[C@@H](O)[C@H]2O)c(=S)[nH]1 |
| InChIKey | TYVFMVSNSGMZPA-QBNUFUENSA-L |
Chemical Properties
| Hydrogen bond acceptors | 18 |
| Hydrogen bond donors | 7 |
| Rotatable bonds | 11 |
| Log P | -3.209 |
| Molecular weight (Da) | 626.0 |
| Stereochemistry info | partial |
Database connections
Bioactivities
| Receptor | Activity | Source | |||||||
|---|---|---|---|---|---|---|---|---|---|
| Protein | Gene | Species | Family | Class | Type | Min | Avg | Max | Database |
| Receptor | Activity | Source | |||||||
|---|---|---|---|---|---|---|---|---|---|
| Protein | Gene | Species | Family | Class | Type | Min | Avg | Max | Database |
MRS2690
Drug properties
| Molecular type | Small molecule |
| Physiological/Surrogate | Surrogate |
| Approved drug | No |
Distribution across phases (no. indications)
Phase I
0
Phase II
0
Phase III
0
Phase IV
0