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Compound Detail

CHEMBL3220468

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CNC(=O)c1ccccc1Nc1cc(Nc2ccc(N3CCOCC3)cc2OC)ncc1C#N

Basic Information

ChEMBL ID CHEMBL3220468
Phase Preclinical
Structure Type MOL
InChI Key JMHVADDHAXZSPT-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

458.5
MW (Da)
3.65
ALogP
8
HBA
3
HBD
111.5
PSA (Ų)
0.49
QED
0
Ro5 Violations
7
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C25H26N6O3
MW 458.52
Aromatic Rings 3
Heavy Atoms 34
NP-Likeness -1.62

Activity Summary

IC50 1 meas. best 6.29

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Mitogen-activated protein kinase 10
CHEMBL2637
IC50 6.29 6.29 510.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Mitogen-activated protein kinase 10 IC50 = 510.0 nM 6.29 Inhibition of JNK3 (unknown origin) using biotinylated ATF2 by HTRF method -

Literature References

PubMed DOI Target Context # Activities
- 10.1039/C1MD00219H Mitogen-activated protein kinase 9 1
- 10.1039/C1MD00219H Mitogen-activated protein kinase 10 1

Data from ChEMBL 36 via Core Engine