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Compound Detail

CHEMBL5420199

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O=S(=O)(NCCc1c[nH]c2ccccc12)c1cc(F)ccc1Cl

Basic Information

ChEMBL ID CHEMBL5420199
Phase Preclinical
Structure Type MOL
InChI Key KUSWNNKZWMZVCC-UHFFFAOYSA-N
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

352.8
MW (Da)
3.48
ALogP
2
HBA
2
HBD
62.0
PSA (Ų)
0.74
QED
0
Ro5 Violations
5
Rot. Bonds

Drug Information

Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C16H14ClFN2O2S
MW 352.82
Aromatic Rings 3
Heavy Atoms 23
NP-Likeness -1.76

Activity Summary

IC50 2 meas. best 5.8

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Maltase-glucoamylase
CHEMBL2074
IC50 5.8 5.8 1600.0 1
Unchecked
CHEMBL612545
IC50 5.8 5.8 1600.0 1

Activity Data Samples

Top measurements by pChEMBL value

Literature References

PubMed DOI Target Context # Activities
36680985 10.1016/j.ejmech.2023.115119 Unchecked 1
38878516 10.1016/j.ejmech.2024.116589 Maltase-glucoamylase 1

Data from ChEMBL 36 via Core Engine