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Compound Detail

CHEMBL203792

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Nc1ccccc1Nc1cc(-c2ccnc(Nc3ccccc3N)c2)ccn1

Basic Information

ChEMBL ID CHEMBL203792
Phase Preclinical
Structure Type MOL
InChI Key HCYVXZBPVNQTND-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

368.4
MW (Da)
4.80
ALogP
6
HBA
4
HBD
101.9
PSA (Ų)
0.38
QED
0
Ro5 Violations
5
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C22H20N6
MW 368.44
Aromatic Rings 4
Heavy Atoms 28
NP-Likeness -0.42

Activity Summary

IC50 1 meas. best 6.97

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Mitogen-activated protein kinase 10
CHEMBL2637
IC50 6.97 6.97 108.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Mitogen-activated protein kinase 10 IC50 = 108.0 nM 6.97 Inhibition of JNK3 16337120

Literature References

PubMed DOI Target Context # Activities
16337120 10.1016/j.bmcl.2005.11.039 Mitogen-activated protein kinase 10 1

Data from ChEMBL 36 via Core Engine