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

CHEMBL2089253

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
CCOc1nc(Nc2ccccc2)cc(N)c1C#N

Basic Information

ChEMBL ID CHEMBL2089253
Phase Preclinical
Structure Type MOL
InChI Key SDLRWVPQOBBMSJ-UHFFFAOYSA-N
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

254.3
MW (Da)
2.68
ALogP
5
HBA
2
HBD
84.0
PSA (Ų)
0.88
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 C14H14N4O
MW 254.29
Aromatic Rings 2
Heavy Atoms 19
NP-Likeness -1.43

Activity Summary

IC50 2 meas. best 6.64

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Small ribosomal subunit protein eS27
CHEMBL1932893
IC50 6.64 6.64 228.0 1
Mitogen-activated protein kinase 8
CHEMBL2276
IC50 5.99 5.99 1035.0 1

Activity Data Samples

Top measurements by pChEMBL value

Literature References

PubMed DOI Target Context # Activities
24900510 10.1021/ml3000879 Small ribosomal subunit protein eS27 1
24900510 10.1021/ml3000879 Mitogen-activated protein kinase 8 1

Data from ChEMBL 36 via Core Engine