CHEMBL2112908 [160382]
CHEMBL2112908
| SMILES | N#Cc1cc(C(=O)N/N=C/c2cn(C(=O)CC3CCCC3)c3ccccc23)ccc1O |
| InChIKey | QBBCNWBRHZVOJU-VULFUBBASA-N |
Chemical Properties
| Hydrogen bond acceptors | 6 |
| Hydrogen bond donors | 2 |
| Rotatable bonds | 5 |
| Log P | 4.203 |
| Molecular weight (Da) | 414.2 |
| 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 |
CHEMBL2112908
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