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Compound Detail

CHEMBL4441170

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Cl.Cl.NCc1ccc(S(=O)(=O)c2cnn(-c3ccccc3)c2)s1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL4441170
Phase Preclinical
Structure Type MOL
InChI Key GSTXUXCUXOMXMV-UHFFFAOYSA-N
Parent Compound CHEMBL4597542
Active Moiety CHEMBL4597542
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

319.4
MW (Da)
2.23
ALogP
6
HBA
1
HBD
78.0
PSA (Ų)
0.80
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 C14H15Cl2N3O2S2
MW 392.33
Aromatic Rings 3
Heavy Atoms 21
NP-Likeness -2.20

Activity Summary

IC50 1 meas. best 6.0

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Lysyl oxidase homolog 2
CHEMBL3714029
 IC50 6.0 6.0 1000.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Lysyl oxidase homolog 2 IC50 = 1000.0 nM 6.0 Inhibition of LOXL2 (unknown origin) using H2O2 substrate incubated for 20 hrs b... -

Data from ChEMBL 36 via Core Engine