CHEMBL1080882 [20458]
CHEMBL1080882
| SMILES | CCc1ccc(CC[C@@H]2c3c(C)nn(CC)c3CCN2[C@@H](C(=O)NC)c2ccccc2)cc1 |
| InChIKey | PPAKYKQRBNRNGC-SHQCIBLASA-N |
Chemical Properties
| Hydrogen bond acceptors | 4 |
| Hydrogen bond donors | 1 |
| Rotatable bonds | 8 |
| Log P | 4.793 |
| Molecular weight (Da) | 444.3 |
| Stereochemistry info | partial |
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 |
CHEMBL1080882
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