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Compound Detail

CHEMBL3415186

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Cc1cn(Cn2cnc(-c3cnn(C)c3)c2-c2ccc([N+](=O)[O-])cc2)nn1

Basic Information

ChEMBL ID CHEMBL3415186
Phase Preclinical
Structure Type MOL
InChI Key GTOATASLSLQVCO-UHFFFAOYSA-N
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

364.4
MW (Da)
2.26
ALogP
9
HBA
0
HBD
109.5
PSA (Ų)
0.40
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 C17H16N8O2
MW 364.37
Aromatic Rings 4
Heavy Atoms 27
NP-Likeness -2.03

Activity Summary

IC50 2 meas. best 5.86

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Bromodomain adjacent to zinc finger domain protein 2A
CHEMBL3108642
IC50 5.86 5.86 1380.0 1
Bromodomain adjacent to zinc finger domain protein 2B
CHEMBL1741220
IC50 5.61 5.61 2450.0 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