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Compound Detail

CHEMBL4554612

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O=[N+]([O-])c1cccc(-c2nnc(/N=C/c3ccc(Cl)cc3Cl)s2)c1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL4554612
Phase Preclinical
Structure Type MOL
InChI Key LIDZYZRDFHFDGC-QGMBQPNBSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

379.2
MW (Da)
5.17
ALogP
6
HBA
0
HBD
81.3
PSA (Ų)
0.36
QED
1
Ro5 Violations
4
Rot. Bonds

Drug Information

Molecule Type Unknown
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C15H8Cl2N4O2S
MW 379.23
Aromatic Rings 3
Heavy Atoms 24
NP-Likeness -2.24

Activity Summary

IC50 1 meas. best 5.64

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Alpha glucosidase
CHEMBL3833502
 IC50 5.64 5.64 2300.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Alpha glucosidase IC50 = 2300.0 nM 5.64 Inhibition of alpha-glucosidase (unknown origin) using p-nitrophenyl-alpha-d-glu... 31112894

Literature References

PubMed DOI Target Context # Activities
31112894 10.1016/j.ejmech.2019.04.025 Alpha glucosidase 1

Data from ChEMBL 36 via Core Engine