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Compound Detail

CHEMBL4748767

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O=C(O)c1ccc(-c2n[nH]c3ccccc23)cc1

Basic Information

ChEMBL ID CHEMBL4748767
Phase Preclinical
Structure Type MOL
InChI Key NYIVQYRLZKFCMF-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

238.2
MW (Da)
2.93
ALogP
2
HBA
2
HBD
66.0
PSA (Ų)
0.72
QED
0
Ro5 Violations
2
Rot. Bonds

Drug Information

Molecule Type Unknown
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C14H10N2O2
MW 238.25
Aromatic Rings 3
Heavy Atoms 18
NP-Likeness -0.84

Activity Summary

IC50 1 meas. best 6.72

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Dual specificity mitogen-activated protein kinase kinase 4
CHEMBL2897
IC50 6.72 6.72 190.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Dual specificity mitogen-activated protein kinase kinase 4 IC50 = 190.0 nM 6.72 Inhibition of MEK4 (unknown origin) 32389527

Literature References

PubMed DOI Target Context # Activities
32389527 10.1016/j.bmcl.2020.127203 Dual specificity mitogen-activated protein kinase kinase 4 2

Data from ChEMBL 36 via Core Engine