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Compound Detail

CHEMBL539031

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CC(C)c1cccc2c1C(=O)C(COC(=O)c1c(Cl)ccc(OCCN3CCOCC3)c1Cl)S2(=O)=O.Cl
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL539031
Phase Preclinical
Structure Type MOL
InChI Key WBUFSQVIPZEYFZ-UHFFFAOYSA-N
Parent Compound CHEMBL1189581
Active Moiety CHEMBL1189581
0
Targets
1
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

556.5
MW (Da)
4.02
ALogP
8
HBA
0
HBD
99.2
PSA (Ų)
0.45
QED
1
Ro5 Violations
8
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C25H28Cl3NO7S
MW 592.92
Aromatic Rings 2
Heavy Atoms 36
NP-Likeness -0.91

Activity Summary

Ki 1 meas.

Literature References

PubMed DOI Target Context # Activities
8064791 10.1021/jm00043a001 Cricetinae gen. sp. 3
8064791 10.1021/jm00043a001 Neutrophil elastase 2

Data from ChEMBL 36 via Core Engine