CHEMBL5842745 [424436]
CHEMBL5842745
| SMILES | CCCCc1nc(=O)c(S(=O)(=O)c2ccc(-c3cccc4c3C(=O)NC4)cc2)c(O)n1[C@H](c1cccc(C#N)c1)C1CC1 |
| InChIKey | KZCVEGYYHDAOLT-LJAQVGFWSA-N |
Chemical Properties
| Hydrogen bond acceptors | 8 |
| Hydrogen bond donors | 2 |
| Rotatable bonds | 9 |
| Log P | 4.906 |
| Molecular weight (Da) | 594.2 |
| Stereochemistry info | full |
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 |
CHEMBL5842745
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