Compound Detail
CHEMBL4176664
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COc1ccc(S(=O)(=O)N(CC(=O)O)C(=O)c2ccccc2C(=O)N(CC(=O)O)S(=O)(=O)c2ccc(OC)cc2)cc1
Basic Information
| ChEMBL ID | CHEMBL4176664 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | JRWBAUACLIBNLB-UHFFFAOYSA-N |
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
620.6
MW (Da)
1.54
ALogP
10
HBA
2
HBD
202.0
PSA (Ų)
0.30
QED
1
Ro5 Violations
12
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 30122040 | 10.1021/acs.jmedchem.8b01133 | Kelch-like ECH-associated protein 1 | 1 |
| 30122040 | 10.1021/acs.jmedchem.8b01133 | Keap1/Nrf2 | 1 |
| 30122040 | 10.1021/acs.jmedchem.8b01133 | No relevant target | 1 |
Data from ChEMBL 36 via Core Engine