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Compound Detail

CHEMBL41970

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Cn1nc(C(C)(C)C)cc1NC(=O)Nc1ccc(Oc2ccccc2)cc1

Basic Information

ChEMBL ID CHEMBL41970
Phase Preclinical
Structure Type MOL
InChI Key HFVZEWHYOCNZGL-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

364.4
MW (Da)
5.15
ALogP
4
HBA
2
HBD
68.2
PSA (Ų)
0.67
QED
1
Ro5 Violations
4
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C21H24N4O2
MW 364.45
Aromatic Rings 3
Heavy Atoms 27
NP-Likeness -1.68

Activity Summary

IC50 1 meas. best 6.57

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Mitogen-activated protein kinase 14
CHEMBL260
IC50 6.57 6.57 270.0 1

Activity Data Samples

Top measurements by pChEMBL value

Literature References

PubMed DOI Target Context # Activities
12039561 10.1016/s0960-894x(02)00238-x Mitogen-activated protein kinase 14 1

Data from ChEMBL 36 via Core Engine