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Compound Detail

CHEMBL111805

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CSCCCCCCC(=O)Nc1ccccc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL111805
Phase Preclinical
Structure Type MOL
InChI Key JFBCFMATMCVPKQ-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
3
Publications
0
Known Names

Molecular Properties

251.4
MW (Da)
3.94
ALogP
2
HBA
1
HBD
29.1
PSA (Ų)
0.71
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 C14H21NOS
MW 251.40
Aromatic Rings 1
Heavy Atoms 17
NP-Likeness -1.11

Literature References

PubMed DOI Target Context # Activities
15715470 10.1021/jm049207j Histone deacetylase 2
15149697 10.1016/j.bmcl.2004.03.063 Histone deacetylase 1
18247554 10.1021/jm7011408 Histone deacetylase 1

Data from ChEMBL 36 via Core Engine