CHEMBL5887729 [428444]
CHEMBL5887729
| SMILES | COc1ncccc1-c1nnc(NS(=O)(=O)[C@@H](C)[C@H](C)c2ncc(F)cn2)n1-c1cn(C)c2ccccc12 |
| InChIKey | OOXBJRSZWJAZON-HOTGVXAUSA-N |
Chemical Properties
| Hydrogen bond acceptors | 10 |
| Hydrogen bond donors | 1 |
| Rotatable bonds | 8 |
| Log P | 3.693 |
| Molecular weight (Da) | 536.2 |
| Stereochemistry info | partial |
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 |
CHEMBL5887729
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