CHEMBL5876850 [427515]
CHEMBL5876850
| SMILES | COc1cccc(-c2nnc(NS(=O)(=O)[C@@H](C)[C@@H](O)c3cnc(C)nc3)n2-c2c(OC)cccc2OC)n1 |
| InChIKey | GRWSTNHTOKAHAB-RCDICMHDSA-N |
Chemical Properties
| Hydrogen bond acceptors | 12 |
| Hydrogen bond donors | 2 |
| Rotatable bonds | 10 |
| Log P | 2.317 |
| Molecular weight (Da) | 541.2 |
| Stereochemistry info | full |
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 |
CHEMBL5876850
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