CHEMBL5835338 [413969]
CHEMBL5835338
| SMILES | COc1cccc(OC)c1-n1c(NS(=O)(=O)[C@H](C)[C@@](C)(F)c2ncc(C#N)cn2)nnc1-c1nc(C)cs1 |
| InChIKey | QWDBQDPMYFQBRP-QKFKETGDSA-N |
Chemical Properties
| Hydrogen bond acceptors | 12 |
| Hydrogen bond donors | 1 |
| Rotatable bonds | 9 |
| Log P | 3.393 |
| Molecular weight (Da) | 558.1 |
| Stereochemistry info | full |
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 |
CHEMBL5835338
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