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Compound Detail

CHEMBL4785607

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COc1ccccc1C(=O)/C=C1\Nc2ccccc2NC1=O

Basic Information

ChEMBL ID CHEMBL4785607
Phase Preclinical
Structure Type MOL
InChI Key DSGAIZZRSFFBNV-UVTDQMKNSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
4
Publications
0
Known Names

Molecular Properties

294.3
MW (Da)
2.83
ALogP
4
HBA
2
HBD
67.4
PSA (Ų)
0.67
QED
0
Ro5 Violations
3
Rot. Bonds

Drug Information

Molecule Type Unknown
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C17H14N2O3
MW 294.31
Aromatic Rings 2
Heavy Atoms 22
NP-Likeness -0.33

Activity Summary

IC50 1 meas. best 5.84

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Mitogen-activated protein kinase 10
CHEMBL2637
IC50 5.84 5.84 1430.0 1

Activity Data Samples

Top measurements by pChEMBL value

Literature References

PubMed DOI Target Context # Activities
32603981 10.1016/j.ejmech.2020.112445 Mitogen-activated protein kinase 8 3
32603981 10.1016/j.ejmech.2020.112445 Mitogen-activated protein kinase 9 3
32603981 10.1016/j.ejmech.2020.112445 Mitogen-activated protein kinase 10 2
32603981 10.1016/j.ejmech.2020.112445 Discoidin domain-containing receptor 2 1

Data from ChEMBL 36 via Core Engine