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Compound Detail

CHEMBL5592058

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CN(C)S(=O)(=O)c1ccc(N2CCCC2)c(C(=O)Nc2ccc(F)cc2)c1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL5592058
Phase Preclinical
Structure Type MOL
InChI Key SQAKPAJVCQUKSE-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

391.5
MW (Da)
2.93
ALogP
4
HBA
1
HBD
69.7
PSA (Ų)
0.85
QED
0
Ro5 Violations
5
Rot. Bonds

Drug Information

Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C19H22FN3O3S
MW 391.47
Aromatic Rings 2
Heavy Atoms 27
NP-Likeness -2.32

Activity Summary

EC50 1 meas. best 5.86

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Unchecked
CHEMBL612545
 EC50 5.86 5.86 1390.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Unchecked EC50 = 1390.0 nM 5.86 Inhibition of STT3A/STT3B mediated N-linked glycosylation in human H1-HeLa cells... 39136957

Literature References

PubMed DOI Target Context # Activities
39136957 10.1021/acs.jmedchem.4c01402 Unchecked 1

Data from ChEMBL 36 via Core Engine