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Compound Detail

CHEMBL1534367

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Nc1nnc(-c2ccc(Cl)cc2Cl)s1

Basic Information

ChEMBL ID CHEMBL1534367
Phase Preclinical
Structure Type MOL
InChI Key KNZULSYPOPMUED-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

246.1
MW (Da)
3.09
ALogP
4
HBA
1
HBD
51.8
PSA (Ų)
0.84
QED
0
Ro5 Violations
1
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C8H5Cl2N3S
MW 246.12
Aromatic Rings 2
Heavy Atoms 14
NP-Likeness -2.08

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