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Compound Detail

CHEMBL255609

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CC(=O)c1ccc(-c2cc(=S)ss2)cc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL255609
Phase Preclinical
Structure Type MOL
InChI Key KZYOLWNJIYAJIT-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

252.4
MW (Da)
4.41
ALogP
4
HBA
0
HBD
17.1
PSA (Ų)
0.45
QED
0
Ro5 Violations
2
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C11H8OS3
MW 252.38
Aromatic Rings 2
Heavy Atoms 15
NP-Likeness -0.50

Literature References

PubMed DOI Target Context # Activities
18294844 10.1016/j.bmcl.2008.02.007 Histone deacetylase 3
18294844 10.1016/j.bmcl.2008.02.007 A549 1

Data from ChEMBL 36 via Core Engine