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Compound Detail

CHEMBL4741377

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CC(=O)Nc1nc2ccc(C(N)=O)cc2s1

Basic Information

ChEMBL ID CHEMBL4741377
Phase Preclinical
Structure Type MOL
InChI Key JYKFJDOJASDJSM-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

235.3
MW (Da)
1.35
ALogP
4
HBA
2
HBD
85.1
PSA (Ų)
0.82
QED
0
Ro5 Violations
2
Rot. Bonds

Drug Information

Molecule Type Unknown
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C10H9N3O2S
MW 235.27
Aromatic Rings 2
Heavy Atoms 16
NP-Likeness -2.52

Activity Summary

IC50 1 meas. best 4.8

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Dual specificity tyrosine-phosphorylation-regulated kinase 1A
CHEMBL2292
IC50 4.8 4.8 15700.0 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