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Compound Detail

CHEMBL1532203

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COc1ccc2sc(NC(C)=O)nc2c1

Basic Information

ChEMBL ID CHEMBL1532203
Phase Preclinical
Structure Type MOL
InChI Key ZKNFVQNHIHCHEW-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

222.3
MW (Da)
2.26
ALogP
4
HBA
1
HBD
51.2
PSA (Ų)
0.85
QED
0
Ro5 Violations
2
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C10H10N2O2S
MW 222.27
Aromatic Rings 2
Heavy Atoms 15
NP-Likeness -2.24

Activity Summary

IC50 1 meas. best 6.4

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Dual specificity tyrosine-phosphorylation-regulated kinase 1A
CHEMBL2292
IC50 6.4 6.4 400.0 1

Activity Data Samples

Top measurements by pChEMBL value

Literature References

PubMed DOI Target Context # Activities
27736065 10.1021/acs.jmedchem.6b01086 Dual specificity tyrosine-phosphorylation-regulated kinase 1A 2

Data from ChEMBL 36 via Core Engine