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Compound Detail

CHEMBL4787266

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C=CC(=O)Nc1cccc(-c2n[nH]c3cc([N+](=O)[O-])ccc23)c1

Basic Information

ChEMBL ID CHEMBL4787266
Phase Preclinical
Structure Type MOL
InChI Key CDCIERLLTZJQAZ-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

308.3
MW (Da)
3.26
ALogP
4
HBA
2
HBD
100.9
PSA (Ų)
0.44
QED
0
Ro5 Violations
4
Rot. Bonds

Drug Information

Molecule Type Unknown
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C16H12N4O3
MW 308.30
Aromatic Rings 3
Heavy Atoms 23
NP-Likeness -1.63

Activity Summary

IC50 1 meas. best 7.85

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Dual specificity mitogen-activated protein kinase kinase 7
CHEMBL3530
IC50 7.85 7.85 14.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Dual specificity mitogen-activated protein kinase kinase 7 IC50 = 14.0 nM 7.85 Inhibition of MEK7 (unknown origin) 32389527

Literature References

PubMed DOI Target Context # Activities
32389527 10.1016/j.bmcl.2020.127203 Dual specificity mitogen-activated protein kinase kinase 7 1

Data from ChEMBL 36 via Core Engine