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Compound Detail

CHEMBL3415176

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Cc1cn(CCn2cnc(-c3ccccc3)c2-c2ccc(C#N)cc2)nn1

Basic Information

ChEMBL ID CHEMBL3415176
Phase Preclinical
Structure Type MOL
InChI Key OAPIWVHFYSEARE-UHFFFAOYSA-N
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

354.4
MW (Da)
3.69
ALogP
6
HBA
0
HBD
72.3
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 C21H18N6
MW 354.42
Aromatic Rings 4
Heavy Atoms 27
NP-Likeness -1.71

Activity Summary

IC50 2 meas. best 4.58

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Bromodomain adjacent to zinc finger domain protein 2B
CHEMBL1741220
IC50 4.58 4.58 26000.0 1
Bromodomain adjacent to zinc finger domain protein 2A
CHEMBL3108642
IC50 4.29 4.29 51000.0 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 2B 1
25719566 10.1021/jm501963e Bromodomain adjacent to zinc finger domain protein 2A 1

Data from ChEMBL 36 via Core Engine