CHEMBL5812826 [411883]
CHEMBL5812826
| SMILES | COc1cccc(-c2nnc(NS(=O)(=O)C[C@@H](O)c3ccc(C#N)cc3S(C)(=O)=O)n2-c2c(OC)cccc2OC)n1 |
| InChIKey | MXWWMIPXMIWXQN-LJQANCHMSA-N |
Chemical Properties
| Hydrogen bond acceptors | 13 |
| Hydrogen bond donors | 2 |
| Rotatable bonds | 11 |
| Log P | 2.106 |
| Molecular weight (Da) | 614.1 |
| 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 |
CHEMBL5812826
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