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Compound Detail

CHEMBL1897966

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CN(C)S(=O)(=O)c1ccc(N2CCCC2)c(C(=O)Nc2ccccc2)c1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL1897966
Phase Preclinical
Structure Type MOL
InChI Key NATUFGGKBOORCW-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

373.5
MW (Da)
2.79
ALogP
4
HBA
1
HBD
69.7
PSA (Ų)
0.87
QED
0
Ro5 Violations
5
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C19H23N3O3S
MW 373.48
Aromatic Rings 2
Heavy Atoms 26
NP-Likeness -2.10

Activity Summary

EC50 1 meas. best 5.3

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Unchecked
CHEMBL612545
 EC50 5.3 5.3 5011.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Unchecked EC50 = 5011.0 nM 5.3 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