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Compound Detail

CHEMBL289357

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Cn1nc(C(C)(C)C)cc1NC(=O)Nc1ccc(Nc2ccncc2)cc1

Basic Information

ChEMBL ID CHEMBL289357
Phase Preclinical
Structure Type MOL
InChI Key YQNWOWVFDPJBQU-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

364.4
MW (Da)
4.50
ALogP
5
HBA
3
HBD
83.9
PSA (Ų)
0.64
QED
0
Ro5 Violations
4
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C20H24N6O
MW 364.45
Aromatic Rings 3
Heavy Atoms 27
NP-Likeness -1.79

Activity Summary

IC50 1 meas. best 6.38

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Mitogen-activated protein kinase 14
CHEMBL260
IC50 6.38 6.38 420.0 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