CHEMBL429598 [332189]
CHEMBL429598
| SMILES | CC(=O)N1C2C=C(CN3[C@@H]4CC[C@H]3C[C@H](Nc3ccc5c(F)cc(OC(C)C)cc5n3)C4)CC1CCC2 |
| InChIKey | ZMMPHXRLDYXXHX-XFCYHYGDSA-N |
Chemical Properties
| Hydrogen bond acceptors | 5 |
| Hydrogen bond donors | 1 |
| Rotatable bonds | 6 |
| Log P | 5.668 |
| Molecular weight (Da) | 506.3 |
| Stereochemistry info | partial |
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 |
CHEMBL429598
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