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Compound Detail

CHEMBL1469807

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Cc1cc(C)nc(Nc2nc(-c3ccccc3)cs2)n1

Basic Information

ChEMBL ID CHEMBL1469807
Phase Preclinical
Structure Type MOL
InChI Key MEYHVGRXGIMJNL-UHFFFAOYSA-N
3
Targets
4
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

282.4
MW (Da)
3.96
ALogP
5
HBA
1
HBD
50.7
PSA (Ų)
0.79
QED
0
Ro5 Violations
3
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C15H14N4S
MW 282.37
Aromatic Rings 3
Heavy Atoms 20
NP-Likeness -1.98

Activity Summary

IC50 4 meas. best 6.06

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Sentrin-specific protease 8
CHEMBL1741207
IC50 6.06 5.77 865.0 2
Sentrin-specific protease 7
CHEMBL1741213
IC50 5.72 5.72 1890.0 1
Sentrin-specific protease 6
CHEMBL1741215
IC50 5.68 5.68 2100.0 1

Activity Data Samples

Top measurements by pChEMBL value

Data from ChEMBL 36 via Core Engine