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Compound Detail

CHEMBL4574207

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CCc1ccccc1S(=O)(=O)c1cnc(CN)s1.Cl

Basic Information

ChEMBL ID CHEMBL4574207
Phase Preclinical
Structure Type MOL
InChI Key UCIHUJAYGNPFGL-UHFFFAOYSA-N
Parent Compound CHEMBL4596936
Active Moiety CHEMBL4596936
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

282.4
MW (Da)
2.00
ALogP
5
HBA
1
HBD
73.0
PSA (Ų)
0.93
QED
0
Ro5 Violations
4
Rot. Bonds

Drug Information

Molecule Type Unknown
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C12H15ClN2O2S2
MW 318.85
Aromatic Rings 2
Heavy Atoms 18
NP-Likeness -1.47

Activity Summary

IC50 1 meas. best 7.13

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Lysyl oxidase homolog 2
CHEMBL3714029
IC50 7.13 7.13 74.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Lysyl oxidase homolog 2 IC50 = 74.0 nM 7.13 Inhibition of LOXL2 (unknown origin) using H2O2 substrate incubated for 20 hrs b... -

Data from ChEMBL 36 via Core Engine