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Compound Detail

CHEMBL242426

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N#Cc1cnc2c(OCC(O)CO)cc(NCc3c[nH]cn3)cc2c1Nc1ccc(F)c(Cl)c1

Basic Information

ChEMBL ID CHEMBL242426
Phase Preclinical
Structure Type MOL
InChI Key HUANMHJBGDCOPW-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
4
Publications
0
Known Names

Molecular Properties

482.9
MW (Da)
3.71
ALogP
8
HBA
5
HBD
139.1
PSA (Ų)
0.24
QED
0
Ro5 Violations
9
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C23H20ClFN6O3
MW 482.90
Aromatic Rings 4
Heavy Atoms 34
NP-Likeness -1.30

Activity Summary

IC50 1 meas. best 6.08

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Mitogen-activated protein kinase kinase kinase 8
CHEMBL4899
IC50 6.08 6.08 830.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Mitogen-activated protein kinase kinase kinase 8 IC50 = 830.0 nM 6.08 Inhibition of Tpl2 by ELISA 17715908

Literature References

PubMed DOI Target Context # Activities
17715908 10.1021/jm070436q Mitogen-activated protein kinase kinase kinase 8 1
17715908 10.1021/jm070436q Epidermal growth factor receptor 1
17715908 10.1021/jm070436q Monocyte 1
17715908 10.1021/jm070436q Blood 1

Data from ChEMBL 36 via Core Engine