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Compound Detail

CHEMBL178542

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CS(=O)(=O)NCCCCCC(=O)Nc1ccccc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL178542
Phase Preclinical
Structure Type MOL
InChI Key DOJFCDQNFGWIDH-UHFFFAOYSA-N
0
Targets
2
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

284.4
MW (Da)
1.73
ALogP
3
HBA
2
HBD
75.3
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 C13H20N2O3S
MW 284.38
Aromatic Rings 1
Heavy Atoms 19
NP-Likeness -1.45

Activity Summary

IC50 2 meas.

Literature References

PubMed DOI Target Context # Activities
15715470 10.1021/jm049207j Histone deacetylase 2
15603949 10.1016/j.bmcl.2004.10.074 Histone deacetylase 2

Data from ChEMBL 36 via Core Engine