CHEMBL161594 [117821]
CHEMBL161594
| SMILES | c1ccc(C2CCN(C[C@@H]3[C@@H](c4ccccc4)CN4O[C@H](c5ccccc5)C[C@@H]34)CC2)cc1 |
| InChIKey | XCTHXSXPXQNXKY-XAZDILKDSA-N |
Chemical Properties
| Hydrogen bond acceptors | 3 |
| Hydrogen bond donors | 0 |
| Rotatable bonds | 5 |
| Log P | 6.027 |
| Molecular weight (Da) | 438.3 |
| 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 |
CHEMBL161594
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