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Compound Detail

CHEMBL325098

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CC(C)c1cccc2c1C(=O)N(COc1c(Cl)cccc1Cl)S2(=O)=O
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL325098
Phase Preclinical
Structure Type MOL
InChI Key JPUUPRZEVPEVMO-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

400.3
MW (Da)
4.30
ALogP
4
HBA
0
HBD
63.7
PSA (Ų)
0.77
QED
0
Ro5 Violations
4
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C17H15Cl2NO4S
MW 400.28
Aromatic Rings 2
Heavy Atoms 25
NP-Likeness -1.01

Literature References

PubMed DOI Target Context # Activities
- 10.1016/0960-894X(95)00028-R Neutrophil elastase 2

Data from ChEMBL 36 via Core Engine