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Compound Detail

CHEMBL4176126

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COc1ccc(S(=O)(=O)N(CC(=O)O)c2ccc(N(CC(=O)O)S(=O)(=O)c3ccc(OC)cc3)nc2)cc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL4176126
Phase Preclinical
Structure Type MOL
InChI Key OXSUFZKUDDMREY-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
3
Publications
0
Known Names

Molecular Properties

565.6
MW (Da)
1.66
ALogP
9
HBA
2
HBD
180.7
PSA (Ų)
0.33
QED
1
Ro5 Violations
12
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C23H23N3O10S2
MW 565.58
Aromatic Rings 3
Heavy Atoms 38
NP-Likeness -0.94

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