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Compound Detail

CHEMBL3415181

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Cc1cn(CCn2cncc2-c2ccc(C#N)cc2)nn1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL3415181
Phase Preclinical
Structure Type MOL
InChI Key LYXPBOVOLCOITB-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

278.3
MW (Da)
2.02
ALogP
6
HBA
0
HBD
72.3
PSA (Ų)
0.73
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 C15H14N6
MW 278.32
Aromatic Rings 3
Heavy Atoms 21
NP-Likeness -1.73

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