CHEMBL5828539 [413307]
CHEMBL5828539
| SMILES | COc1cc(OCCCN2CCC[C@H](C)C2)ccc1-n1c(C)nc2ccc(S(F)(F)(F)(F)F)cc2c1=O |
| InChIKey | ZAGVYXOPKNRPJA-KRWDZBQOSA-N |
Chemical Properties
| Hydrogen bond acceptors | 6 |
| Hydrogen bond donors | 0 |
| Rotatable bonds | 8 |
| Log P | 6.861 |
| Molecular weight (Da) | 547.2 |
| 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 |
CHEMBL5828539
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