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

CHEMBL5285142

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
Cn1ncc2cc(CCc3nn[nH]n3)ccc21

Basic Information

ChEMBL ID CHEMBL5285142
Phase Preclinical
Structure Type MOL
InChI Key VMCCMDQEUZHYOI-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

228.3
MW (Da)
0.87
ALogP
5
HBA
1
HBD
72.3
PSA (Ų)
0.72
QED
0
Ro5 Violations
3
Rot. Bonds

Drug Information

Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C11H12N6
MW 228.26
Aromatic Rings 3
Heavy Atoms 17
NP-Likeness -1.53

Activity Summary

IC50 1 meas. best 5.5

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Catenin beta-1/Transcription factor 7
CHEMBL3885542
IC50 5.5 5.5 3140.0 1

Activity Data Samples

Top measurements by pChEMBL value

Literature References

PubMed DOI Target Context # Activities
33445154 10.1016/j.ejmech.2020.113149 Catenin beta-1/Transcription factor 7 1

Data from ChEMBL 36 via Core Engine