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Compound Detail

CHEMBL493325

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Brc1ccc2ncnc(N3CCN(Cc4ccc5c(c4)OCO5)CC3)c2c1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL493325
Phase Preclinical
Structure Type MOL
InChI Key XYYCMFDGHSYCOP-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

427.3
MW (Da)
3.44
ALogP
6
HBA
0
HBD
50.7
PSA (Ų)
0.64
QED
0
Ro5 Violations
3
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C20H19BrN4O2
MW 427.30
Aromatic Rings 3
Heavy Atoms 27
NP-Likeness -1.36

Literature References

PubMed DOI Target Context # Activities
19243939 10.1016/j.bmcl.2009.01.087 Huntingtin 1

Data from ChEMBL 36 via Core Engine