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Compound Detail

CHEMBL426391

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Oc1ccc(CCc2nnc(S)n2-c2ccc(Cl)cc2)cc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL426391
Phase Preclinical
Structure Type MOL
InChI Key IGDSMAJKVWYPLI-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

331.8
MW (Da)
3.70
ALogP
5
HBA
2
HBD
50.9
PSA (Ų)
0.72
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 C16H14ClN3OS
MW 331.83
Aromatic Rings 3
Heavy Atoms 22
NP-Likeness -1.43

Literature References

PubMed DOI Target Context # Activities
15566299 10.1021/jm049933m NAD-dependent protein deacetylase sirtuin-2 1

Data from ChEMBL 36 via Core Engine