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Compound Detail

CHEMBL553298

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CC(C)c1cccc2c1C(=O)C(COC(=O)c1c(Cl)ccc(S(=O)(=O)N3CCN(C)CC3)c1Cl)S2(=O)=O.Cl
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL553298
Phase Preclinical
Structure Type MOL
InChI Key IWSABOLPWGVBEQ-UHFFFAOYSA-N
Parent Compound CHEMBL1194782
Active Moiety CHEMBL1194782
0
Targets
1
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

589.5
MW (Da)
3.25
ALogP
8
HBA
0
HBD
118.1
PSA (Ų)
0.47
QED
1
Ro5 Violations
6
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C24H27Cl3N2O7S2
MW 625.98
Aromatic Rings 2
Heavy Atoms 37
NP-Likeness -1.05

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