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Compound Detail

CHEMBL5416936

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O=C1N/C(=N\c2cccc(Cl)c2Cl)S/C1=C1\C(=O)Nc2ccc(F)cc21
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL5416936
Phase Preclinical
Structure Type MOL
InChI Key RILZQDMICBCVCA-OWBHPGMISA-N
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
9
Publications
0
Known Names

Molecular Properties

408.2
MW (Da)
4.35
ALogP
4
HBA
2
HBD
70.6
PSA (Ų)
0.69
QED
0
Ro5 Violations
1
Rot. Bonds

Drug Information

Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C17H8Cl2FN3O2S
MW 408.24
Aromatic Rings 2
Heavy Atoms 26
NP-Likeness -1.51

Activity Summary

IC50 2 meas. best 7.89

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Mitogen-activated protein kinase 10
CHEMBL2637
 IC50 7.89 7.89 13.0 2

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Mitogen-activated protein kinase 10 IC50 = 13.0 nM 7.89 Inhibition of JNK3 (unknown origin) by radiometric assay 36764123
Mitogen-activated protein kinase 10 IC50 = 13.0 nM 7.89 Inhibition of human JNK3 using ATF2 peptide as substrate incubated for 40 mins i... 36764123

Literature References

PubMed DOI Target Context # Activities
36764123 10.1016/j.ejmech.2023.115167 Mitogen-activated protein kinase 10 3
36764123 10.1016/j.ejmech.2023.115167 Mitogen-activated protein kinase 8 2
36764123 10.1016/j.ejmech.2023.115167 Mitogen-activated protein kinase 9 2
36764123 10.1016/j.ejmech.2023.115167 SH-SY5Y 2
36764123 10.1016/j.ejmech.2023.115167 Mitogen-activated protein kinase 3 1
36764123 10.1016/j.ejmech.2023.115167 Mitogen-activated protein kinase 1 1
36764123 10.1016/j.ejmech.2023.115167 Mitogen-activated protein kinase 14 1
36764123 10.1016/j.ejmech.2023.115167 HEK293 1
36764123 10.1016/j.ejmech.2023.115167 PC-12 1

Data from ChEMBL 36 via Core Engine