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Compound Detail

CHEMBL343377

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O=C(CCCCCCC(=O)Nc1nccs1)Nc1ccccc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL343377
Phase Preclinical
Structure Type MOL
InChI Key RFEFMPTWMIKCRC-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

331.4
MW (Da)
4.06
ALogP
4
HBA
2
HBD
71.1
PSA (Ų)
0.68
QED
0
Ro5 Violations
9
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C17H21N3O2S
MW 331.44
Aromatic Rings 2
Heavy Atoms 23
NP-Likeness -1.51

Literature References

PubMed DOI Target Context # Activities
14643318 10.1016/j.bmcl.2003.09.048 Histone deacetylase 2

Data from ChEMBL 36 via Core Engine