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Compound Detail

CHEMBL253174

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NC1=CC=C2SN=C3c4ccccc4C(=O)C1C23

Basic Information

ChEMBL ID CHEMBL253174
Phase Preclinical
Structure Type MOL
InChI Key KVVZPLOTMXGPIE-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

254.3
MW (Da)
2.31
ALogP
4
HBA
1
HBD
55.5
PSA (Ų)
0.72
QED
0
Ro5 Violations
0
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C14H10N2OS
MW 254.31
Aromatic Rings 1
Heavy Atoms 18
NP-Likeness -0.05

Activity Summary

IC50 1 meas. best 6.4

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Mitogen-activated protein kinase 10
CHEMBL2637
IC50 6.4 6.4 400.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Mitogen-activated protein kinase 10 IC50 = 400.0 nM 6.4 Inhibition of JNK3 17451961

Literature References

PubMed DOI Target Context # Activities
17451961 10.1016/j.bmc.2007.03.062 Mitogen-activated protein kinase 10 1

Data from ChEMBL 36 via Core Engine