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

CHEMBL3415182

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
Cc1cn(CCn2cnc(-c3cnn(C)c3)c2-c2ccc(C#N)cc2)nn1

Basic Information

ChEMBL ID CHEMBL3415182
Phase Preclinical
Structure Type MOL
InChI Key YPRKVQKJNRKXFN-UHFFFAOYSA-N
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

358.4
MW (Da)
2.42
ALogP
8
HBA
0
HBD
90.1
PSA (Ų)
0.55
QED
0
Ro5 Violations
5
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C19H18N8
MW 358.41
Aromatic Rings 4
Heavy Atoms 27
NP-Likeness -2.17

Activity Summary

IC50 2 meas. best 6.22

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Bromodomain adjacent to zinc finger domain protein 2A
CHEMBL3108642
IC50 6.22 6.22 600.0 1
Bromodomain adjacent to zinc finger domain protein 2B
CHEMBL1741220
IC50 5.97 5.97 1070.0 1

Activity Data Samples

Top measurements by pChEMBL value

Literature References

PubMed DOI Target Context # Activities
25719566 10.1021/jm501963e Bromodomain adjacent to zinc finger domain protein 2A 1
25719566 10.1021/jm501963e Bromodomain adjacent to zinc finger domain protein 2B 1

Data from ChEMBL 36 via Core Engine