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Compound Detail

CHEMBL2334582

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Nc1ncc2c(n1)-c1c([nH]c3ccc(Cl)cc13)CCCC2

Basic Information

ChEMBL ID CHEMBL2334582
Phase Preclinical
Structure Type MOL
InChI Key ORNNWYLUVGSWRD-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

298.8
MW (Da)
3.74
ALogP
3
HBA
2
HBD
67.6
PSA (Ų)
0.66
QED
0
Ro5 Violations
0
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C16H15ClN4
MW 298.78
Aromatic Rings 3
Heavy Atoms 21
NP-Likeness -0.90

Activity Summary

IC50 1 meas. best 4.68

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Mitogen-activated protein kinase kinase kinase 14
CHEMBL5888
IC50 4.68 4.68 21000.0 1

Activity Data Samples

Top measurements by pChEMBL value

Literature References

PubMed DOI Target Context # Activities
23374866 10.1016/j.bmcl.2013.01.012 Mitogen-activated protein kinase kinase kinase 14 1

Data from ChEMBL 36 via Core Engine