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Compound Detail

CHEMBL1344527

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CC(Sc1ccc2ccccc2n1)C(=O)O

Basic Information

ChEMBL ID CHEMBL1344527
Phase Preclinical
Structure Type MOL
InChI Key JLYPYACZXPBHLU-UHFFFAOYSA-N
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

233.3
MW (Da)
2.80
ALogP
3
HBA
1
HBD
50.2
PSA (Ų)
0.83
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 C12H11NO2S
MW 233.29
Aromatic Rings 2
Heavy Atoms 16
NP-Likeness -1.01

Activity Summary

IC50 2 meas. best 5.81

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Major prion protein
CHEMBL4869
IC50 5.81 5.81 1558.0 1
Mitogen-activated protein kinase 10
CHEMBL2637
IC50 5.31 5.31 4873.0 1

Activity Data Samples

Top measurements by pChEMBL value

Data from ChEMBL 36 via Core Engine