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Compound Detail

CHEMBL4465683

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Cl.NCc1ncc(S(=O)(=O)c2ccc3c(c2)CCCC3)s1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL4465683
Phase Preclinical
Structure Type MOL
InChI Key DWSAFNMAYNCTCV-UHFFFAOYSA-N
Parent Compound CHEMBL4598392
Active Moiety CHEMBL4598392
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

308.4
MW (Da)
2.31
ALogP
5
HBA
1
HBD
73.0
PSA (Ų)
0.94
QED
0
Ro5 Violations
3
Rot. Bonds

Drug Information

Molecule Type Unknown
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C14H17ClN2O2S2
MW 344.89
Aromatic Rings 2
Heavy Atoms 20
NP-Likeness -1.42

Activity Summary

IC50 1 meas. best 7.0

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Lysyl oxidase homolog 2
CHEMBL3714029
 IC50 7.0 7.0 100.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Lysyl oxidase homolog 2 IC50 = 100.0 nM 7.0 Inhibition of LOXL2 (unknown origin) using H2O2 substrate incubated for 20 hrs b... -

Data from ChEMBL 36 via Core Engine