CHEMBL189236 [139756]
CHEMBL189236
| SMILES | COc1ccc(-n2nc(Sc3ccc(Cl)cc3)cc(CC[C@@H](C)NC[C@@H]3CNCC[C@H]3c3ccc(F)cc3)c2=O)cc1 |
| InChIKey | PWXFIVWHBYGMBN-RUPBQJJESA-N |
Chemical Properties
| Hydrogen bond acceptors | 7 |
| Hydrogen bond donors | 2 |
| Rotatable bonds | 11 |
| Log P | 6.489 |
| Molecular weight (Da) | 606.2 |
| 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 |
CHEMBL189236
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