CHEMBL5742404 [405106]
CHEMBL5742404
| SMILES | COc1cnc([C@@H](C)[C@H](C)S(=O)(=O)Nc2nnc([C@@H]3COCCO3)n2-c2c(OC)cccc2OC)nc1 |
| InChIKey | FFPBTBGQFZVWPM-DOXZYTNZSA-N |
Chemical Properties
| Hydrogen bond acceptors | 12 |
| Hydrogen bond donors | 1 |
| Rotatable bonds | 10 |
| Log P | 2.105 |
| Molecular weight (Da) | 534.2 |
| 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 |
CHEMBL5742404
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