Skip to main content
Free research Free research Free compound review with research home and workspace preview
Quick search ChEMBL 36
Compound Detail

CHEMBL222954

Enter ChEMBL ID:
Free Research Context This compound will appear in recent viewed items on the research home for this browser.
Research home View demo workspace
N#Cc1cnc2ccc(NCc3cccc(N)c3)cc2c1Nc1ccc(F)c(Cl)c1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL222954
Phase Preclinical
Structure Type MOL
InChI Key JYHWHJFSRNAZIQ-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

417.9
MW (Da)
5.84
ALogP
5
HBA
3
HBD
86.8
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 C23H17ClFN5
MW 417.88
Aromatic Rings 4
Heavy Atoms 30
NP-Likeness -1.92

Activity Summary

IC50 1 meas. best 6.85

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Mitogen-activated protein kinase kinase kinase 8
CHEMBL4899
 IC50 6.85 6.85 140.0 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 = 140.0 nM 6.85 Inhibition of Tpl2 kinase by ELISA 16973359

Literature References

PubMed DOI Target Context # Activities
16973359 10.1016/j.bmcl.2006.08.102 Mitogen-activated protein kinase kinase kinase 8 1

Data from ChEMBL 36 via Core Engine