CHEMBL3646958 [253588]
CHEMBL3646958
| SMILES | CO[C@@H]1CCN(c2nc(-c3c(C(F)(F)F)cnc4[nH]ccc34)nc3c2CN(c2cc(C(C)C)ccc2C)CC3)[C@H](C)C1 |
| InChIKey | ROCAJYBCXJBSEA-IFMALSPDSA-N |
Chemical Properties
| Hydrogen bond acceptors | 6 |
| Hydrogen bond donors | 1 |
| Rotatable bonds | 5 |
| Log P | 7.037 |
| Molecular weight (Da) | 578.3 |
| 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 |
CHEMBL3646958
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