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Compound Detail

CHEMBL4595272

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Cn1c(S(=O)(=O)c2ccc3ccccc3c2)cnc1CN

Basic Information

ChEMBL ID CHEMBL4595272
Phase Preclinical
Structure Type MOL
InChI Key SFRWWHDTNVELTA-UHFFFAOYSA-N
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

301.4
MW (Da)
1.86
ALogP
5
HBA
1
HBD
78.0
PSA (Ų)
0.80
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 C15H15N3O2S
MW 301.37
Aromatic Rings 3
Heavy Atoms 21
NP-Likeness -1.06

Activity Summary

IC50 2 meas. best 4.72

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Lysyl oxidase homolog 2
CHEMBL3714029
IC50 4.72 4.72 19000.0 2

Activity Data Samples

Top measurements by pChEMBL value

Data from ChEMBL 36 via Core Engine