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Compound Detail

CHEMBL293644

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Cn1nc(C(C)(C)C)cc1NC(=O)Nc1cccc(-c2ccccc2)c1

Basic Information

ChEMBL ID CHEMBL293644
Phase Preclinical
Structure Type MOL
InChI Key NUHPZXWHNZOAKE-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

348.4
MW (Da)
5.03
ALogP
3
HBA
2
HBD
59.0
PSA (Ų)
0.70
QED
1
Ro5 Violations
3
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C21H24N4O
MW 348.45
Aromatic Rings 3
Heavy Atoms 26
NP-Likeness -1.80

Activity Summary

IC50 1 meas. best 6.1

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Mitogen-activated protein kinase 14
CHEMBL260
IC50 6.1 6.1 797.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Mitogen-activated protein kinase 14 IC50 = 797.0 nM 6.1 Inhibition of mitogen-activated protein kinase p38 alpha 2 10999468

Literature References

PubMed DOI Target Context # Activities
10999468 10.1016/s0960-894x(00)00272-9 Mitogen-activated protein kinase 14 1

Data from ChEMBL 36 via Core Engine