CHEMBL5962295 [442593]
CHEMBL5962295
| SMILES | C[C@H](O)CNC(=O)c1nc(NCc2cncc(C(F)(F)F)c2)nc2ccsc12 |
| InChIKey | DELGZQJBARMTBK-VIFPVBQESA-N |
Chemical Properties
| Hydrogen bond acceptors | 7 |
| Hydrogen bond donors | 3 |
| Rotatable bonds | 6 |
| Log P | 2.828 |
| Molecular weight (Da) | 411.1 |
| 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 |
CHEMBL5962295
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