CHEMBL186505 [139195]
CHEMBL186505
| SMILES | CCNC(=O)c1ccc(/C(C#N)=C2\C[C@H]3CC[C@@H](C2)N3Cc2ccoc2)cc1 |
| InChIKey | BKCDCSOAOQZEDS-NDOXEMHTSA-N |
Chemical Properties
| Hydrogen bond acceptors | 4 |
| Hydrogen bond donors | 1 |
| Rotatable bonds | 5 |
| Log P | 4.133 |
| Molecular weight (Da) | 375.2 |
| Stereochemistry info | full |
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 |
CHEMBL186505
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