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Compound Detail

CHEMBL4546347

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COC(=O)CN(c1ccc(N(CC(=O)OC)S(=O)(=O)c2ccc(NC(C)=O)cc2)c2ccccc12)S(=O)(=O)c1ccc(NC(C)=O)cc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL4546347
Phase Preclinical
Structure Type MOL
InChI Key DUPJJLGYFOKHCJ-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

696.8
MW (Da)
3.49
ALogP
10
HBA
2
HBD
185.6
PSA (Ų)
0.21
QED
1
Ro5 Violations
12
Rot. Bonds

Drug Information

Molecule Type Unknown
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C32H32N4O10S2
MW 696.76
Aromatic Rings 4
Heavy Atoms 48
NP-Likeness -0.85

Literature References

PubMed DOI Target Context # Activities
27660687 10.1021/acsmedchemlett.5b00407 Keap1/Nrf2 5
27660687 10.1021/acsmedchemlett.5b00407 No relevant target 3

Data from ChEMBL 36 via Core Engine