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Compound Detail

CHEMBL5397268

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N#CCc1cnc(-c2ccc(Cl)c(Cl)c2)n1-c1ccnc(N[C@H]2CCCNC2)n1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL5397268
Phase Preclinical
Structure Type MOL
InChI Key KDDPNNXAZURUGP-AWEZNQCLSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

428.3
MW (Da)
3.87
ALogP
7
HBA
2
HBD
91.5
PSA (Ų)
0.64
QED
0
Ro5 Violations
5
Rot. Bonds

Drug Information

Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C20H19Cl2N7
MW 428.33
Aromatic Rings 3
Heavy Atoms 29
NP-Likeness -1.35

Activity Summary

IC50 1 meas. best 4.88

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Mitogen-activated protein kinase 10
CHEMBL2637
 IC50 4.88 4.88 13300.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Mitogen-activated protein kinase 10 IC50 = 13300.0 nM 4.88 Inhibition of human JNK3 incubated for 40 mins in presence of ATP and [gamma33P-... 36343411

Literature References

PubMed DOI Target Context # Activities
36343411 10.1016/j.ejmech.2022.114894 Mitogen-activated protein kinase 10 1

Data from ChEMBL 36 via Core Engine