CHEMBL5914687 [431149]
CHEMBL5914687
| SMILES | C[C@@H]1CN(c2ccc(C(F)(F)F)c3c2CN(c2cnc(C4CC4)nc2)CC3)CCN1C(=O)Cn1ncc2cccnc21 |
| InChIKey | PVVHGPJRFSLCDE-LJQANCHMSA-N |
Chemical Properties
| Hydrogen bond acceptors | 8 |
| Hydrogen bond donors | 0 |
| Rotatable bonds | 5 |
| Log P | 4.418 |
| Molecular weight (Da) | 576.3 |
| 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 |
CHEMBL5914687
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