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Compound Detail

CHEMBL4522151

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CNC(=O)c1cccc(S(=O)(=O)c2ccc(CN)s2)c1.Cl
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL4522151
Phase Preclinical
Structure Type MOL
InChI Key NEIBUENRHMBYLP-UHFFFAOYSA-N
Parent Compound CHEMBL4597051
Active Moiety CHEMBL4597051
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

310.4
MW (Da)
1.40
ALogP
5
HBA
2
HBD
89.3
PSA (Ų)
0.89
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 C13H15ClN2O3S2
MW 346.86
Aromatic Rings 2
Heavy Atoms 20
NP-Likeness -1.89

Activity Summary

IC50 1 meas. best 5.8

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Unchecked
CHEMBL612545
 IC50 5.8 5.8 1600.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Unchecked IC50 = 1600.0 nM 5.8 Inhibition of pig skin LOX incubated for 45 mins by Amplex red dye based and HRP... -

Data from ChEMBL 36 via Core Engine