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Compound Detail

CHEMBL4596103

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COc1ccc(S(=O)(=O)c2cnc(CN)s2)cc1-c1cnn(C)c1

Basic Information

ChEMBL ID CHEMBL4596103
Phase Preclinical
Structure Type MOL
InChI Key SQCKYLHXLPYWDR-UHFFFAOYSA-N
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

364.4
MW (Da)
1.84
ALogP
8
HBA
1
HBD
100.1
PSA (Ų)
0.74
QED
0
Ro5 Violations
5
Rot. Bonds

Drug Information

Molecule Type Unknown
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C15H16N4O3S2
MW 364.45
Aromatic Rings 3
Heavy Atoms 24
NP-Likeness -1.81

Activity Summary

IC50 2 meas. best 7.02

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Lysyl oxidase homolog 2
CHEMBL3714029
IC50 7.02 7.02 96.0 2

Activity Data Samples

Top measurements by pChEMBL value

Data from ChEMBL 36 via Core Engine