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Compound Detail

CHEMBL3415180

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Cc1cn(CCn2cnc(-c3cc(C)no3)c2-c2ccc(C#N)cc2)nn1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL3415180
Phase Preclinical
Structure Type MOL
InChI Key WTEMIPURYPCPAP-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

359.4
MW (Da)
2.99
ALogP
8
HBA
0
HBD
98.3
PSA (Ų)
0.54
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 C19H17N7O
MW 359.39
Aromatic Rings 4
Heavy Atoms 27
NP-Likeness -1.93

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