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Compound Detail

CHEMBL137672

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O=C(CCCCCC/C(=N/O)c1ccccn1)Nc1ccccc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL137672
Phase Preclinical
Structure Type MOL
InChI Key FGLBTPDQYIBOBG-PYCFMQQDSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

325.4
MW (Da)
4.24
ALogP
4
HBA
2
HBD
74.6
PSA (Ų)
0.31
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 C19H23N3O2
MW 325.41
Aromatic Rings 2
Heavy Atoms 24
NP-Likeness -1.02

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