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Compound Detail

CHEMBL380443

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CN(C)c1ccc2sc(/C=C/C=C/C(=O)NO)cc2c1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL380443
Phase Preclinical
Structure Type MOL
InChI Key KELSMUFJKPIMJI-GGWOSOGESA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

288.4
MW (Da)
3.04
ALogP
4
HBA
2
HBD
52.6
PSA (Ų)
0.39
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 C15H16N2O2S
MW 288.37
Aromatic Rings 2
Heavy Atoms 20
NP-Likeness -0.66

Literature References

PubMed DOI Target Context # Activities
16420064 10.1021/jm051010j Histone deacetylase 2
16420064 10.1021/jm051010j CCRF-CEM 1

Data from ChEMBL 36 via Core Engine