CHEMBL5995731 [448637]
CHEMBL5995731
| SMILES | CNc1nc(N2C[C@@H](C)N(C(=O)NCCC3CCN(Cc4ccccc4)CC3)[C@@H](C)C2)ncc1C#N |
| InChIKey | BWRFTYIRHOXERU-OYRHEFFESA-N |
Chemical Properties
| Hydrogen bond acceptors | 7 |
| Hydrogen bond donors | 2 |
| Rotatable bonds | 7 |
| Log P | 3.301 |
| Molecular weight (Da) | 490.3 |
| 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 |
CHEMBL5995731
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