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Compound Detail

CHEMBL190742

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N#C/C(=C1/Nc2ccccc2S1)c1ccnc(NCc2cccnc2)n1

Basic Information

ChEMBL ID CHEMBL190742
Phase Preclinical
Structure Type MOL
InChI Key DAWPHNTYTPLANE-NBVRZTHBSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

358.4
MW (Da)
3.89
ALogP
7
HBA
2
HBD
86.5
PSA (Ų)
0.68
QED
0
Ro5 Violations
4
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C19H14N6S
MW 358.43
Aromatic Rings 3
Heavy Atoms 26
NP-Likeness -1.51

Activity Summary

IC50 1 meas. best 6.47

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Mitogen-activated protein kinase 10
CHEMBL4092
IC50 6.47 6.47 337.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Mitogen-activated protein kinase 10 IC50 = 337.0 nM 6.47 Inhibition of rat c-Jun N-terminal kinase 3 15999997

Literature References

PubMed DOI Target Context # Activities
15999997 10.1021/jm0310986 Mitogen-activated protein kinase 10 1
15999997 10.1021/jm0310986 Jurkat 1

Data from ChEMBL 36 via Core Engine