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Compound Detail

CHEMBL4597286

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NCc1ncc(S(=O)(=O)c2cc(C(=O)O)cc(-c3ccccc3)c2)o1

Basic Information

ChEMBL ID CHEMBL4597286
Phase Preclinical
Structure Type MOL
InChI Key RZARXQSOCKZNCP-UHFFFAOYSA-N
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

358.4
MW (Da)
2.33
ALogP
6
HBA
2
HBD
123.5
PSA (Ų)
0.72
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 C17H14N2O5S
MW 358.38
Aromatic Rings 3
Heavy Atoms 25
NP-Likeness -0.78

Activity Summary

IC50 2 meas. best 5.96

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Lysyl oxidase homolog 2
CHEMBL3714029
IC50 5.96 5.96 1100.0 2

Activity Data Samples

Top measurements by pChEMBL value

Data from ChEMBL 36 via Core Engine