CHEMBL1457697 [81163]
CHEMBL1457697
| SMILES | Cc1ccc2[nH]c(/C(C#N)=C/c3c[nH]nc3-c3ccc(F)cc3)nc2c1 |
| InChIKey | VKFNKSVMQQGUMN-NTEUORMPSA-N |
Chemical Properties
| Hydrogen bond acceptors | 3 |
| Hydrogen bond donors | 2 |
| Rotatable bonds | 3 |
| Log P | 4.465 |
| Molecular weight (Da) | 343.1 |
| Stereochemistry info | unspecified |
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 |
CHEMBL1457697
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