MRS2768 [5407]
MRS2768
| SMILES | C[C@@H]1[C@H](C)[C@@H](COP(=O)(O)OP(=O)(O)OP(=O)(O)OP(=O)(O)Oc2ccccc2)O[C@H]1n1ccc(=O)[nH]c1=O |
| InChIKey | ACRDMMYBLHHSSD-KLZCAUPSSA-N |
Chemical Properties
| Hydrogen bond acceptors | 13 |
| Hydrogen bond donors | 5 |
| Rotatable bonds | 12 |
| Log P | 2.253 |
| Molecular weight (Da) | 636.0 |
| 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 |
MRS2768
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