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Compound Detail

CHEMBL552879

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O=C(CCCCCCC(=S)NO)Nc1ccccc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL552879
Phase Preclinical
Structure Type MOL
InChI Key ACTCIZNGYQFLMA-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

280.4
MW (Da)
3.27
ALogP
3
HBA
3
HBD
61.4
PSA (Ų)
0.39
QED
0
Ro5 Violations
8
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C14H20N2O2S
MW 280.39
Aromatic Rings 1
Heavy Atoms 19
NP-Likeness -0.85

Literature References

PubMed DOI Target Context # Activities
18247554 10.1021/jm7011408 Histone deacetylase 1
18247554 10.1021/jm7011408 Histone deacetylase 8 1

Data from ChEMBL 36 via Core Engine