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Compound Detail

CHEMBL494129

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Clc1ccc2ncnc(NCCc3ccc(OCc4ccccc4)cc3)c2c1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL494129
Phase Preclinical
Structure Type MOL
InChI Key UILVKJBERRTBRW-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

389.9
MW (Da)
5.52
ALogP
4
HBA
1
HBD
47.0
PSA (Ų)
0.45
QED
1
Ro5 Violations
7
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C23H20ClN3O
MW 389.89
Aromatic Rings 4
Heavy Atoms 28
NP-Likeness -1.12

Literature References

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

Data from ChEMBL 36 via Core Engine