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Compound Detail

CHEMBL342952

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CCOc1ccc(NC(=O)Nc2cc(C(C)(C)C)nn2-c2ccc(C)cc2)c2ccccc12
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL342952
Phase Preclinical
Structure Type MOL
InChI Key HJRHYYHTTKMKLG-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

442.6
MW (Da)
6.67
ALogP
4
HBA
2
HBD
68.2
PSA (Ų)
0.36
QED
1
Ro5 Violations
5
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C27H30N4O2
MW 442.56
Aromatic Rings 4
Heavy Atoms 33
NP-Likeness -1.74

Activity Summary

Kd 1 meas. best 7.96

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Mitogen-activated protein kinase 14
CHEMBL2336
 Kd 7.96 7.96 11.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Mitogen-activated protein kinase 14 Kd = 11.0 nM 7.96 Kd value and murine Mitogen-activated protein kinase p38 alpha complex was calcu... 14561087

Literature References

PubMed DOI Target Context # Activities
14561087 10.1021/jm030121k Mitogen-activated protein kinase 14 2

Data from ChEMBL 36 via Core Engine