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Compound Detail

CHEMBL1392784

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COc1ccc(CN/C(C)=C(/C#N)C(N)=O)cc1OC

Basic Information

ChEMBL ID CHEMBL1392784
Phase Preclinical
Structure Type MOL
InChI Key WDXWUJDVGIHLTH-LUAWRHEFSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

275.3
MW (Da)
1.08
ALogP
5
HBA
2
HBD
97.4
PSA (Ų)
0.60
QED
0
Ro5 Violations
6
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C14H17N3O3
MW 275.31
Aromatic Rings 1
Heavy Atoms 20
NP-Likeness -0.75

Activity Summary

IC50 1 meas. best 5.08

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Mitogen-activated protein kinase 10
CHEMBL2637
IC50 5.08 5.08 8417.0 1

Activity Data Samples

Top measurements by pChEMBL value

Data from ChEMBL 36 via Core Engine