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Compound Detail

CHEMBL289056

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Cn1nc(C(C)(C)C)cc1NC(=O)Nc1ccc(Oc2ccc(C(C)(C)C)cc2)cc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL289056
Phase Preclinical
Structure Type MOL
InChI Key YDSSZIUQYFXSNF-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

420.6
MW (Da)
6.45
ALogP
4
HBA
2
HBD
68.2
PSA (Ų)
0.51
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 C25H32N4O2
MW 420.56
Aromatic Rings 3
Heavy Atoms 31
NP-Likeness -1.59

Activity Summary

IC50 1 meas. best 6.74

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Mitogen-activated protein kinase 14
CHEMBL260
 IC50 6.74 6.74 183.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Mitogen-activated protein kinase 14 IC50 = 183.0 nM 6.74 Inhibitory activity against Mitogen-activated protein kinase p38 alpha 2 12039561

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