CHEMBL239991 [182019]
CHEMBL239991
| SMILES | N#Cc1ccc2c(=O)n([C@@H]3O[C@H](COP(=O)(O)OP(=O)(O)OP(=O)(O)O)[C@@H](O)[C@H]3O)ccc2c1 |
| InChIKey | OZPJLFZMWYRSLN-RGCMKSIDSA-N |
Chemical Properties
| Hydrogen bond acceptors | 12 |
| Hydrogen bond donors | 6 |
| Rotatable bonds | 8 |
| Log P | -0.164 |
| Molecular weight (Da) | 542.0 |
| 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 |
CHEMBL239991
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