CHEMBL3952099 [296881]
CHEMBL3952099
| SMILES | C[C@@H]1CN(c2sc(C(F)(F)F)nc2-c2nc3cc(C4(O)CC4)ccc3[nH]2)CCN1C(=O)Cn1cnc2cccnc21 |
| InChIKey | FXONERUOVVIUTD-OAHLLOKOSA-N |
Chemical Properties
| Hydrogen bond acceptors | 9 |
| Hydrogen bond donors | 2 |
| Rotatable bonds | 5 |
| Log P | 4.169 |
| Molecular weight (Da) | 582.2 |
| 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 |
CHEMBL3952099
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