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Compound Detail

CHEMBL114725

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O=C(CCc1ccc(C(=O)C(F)(F)F)cc1)Nc1ccccc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL114725
Phase Preclinical
Structure Type MOL
InChI Key LFAPZYSBVAVANK-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

321.3
MW (Da)
4.00
ALogP
2
HBA
1
HBD
46.2
PSA (Ų)
0.85
QED
0
Ro5 Violations
5
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C17H14F3NO2
MW 321.30
Aromatic Rings 2
Heavy Atoms 23
NP-Likeness -1.05

Literature References

PubMed DOI Target Context # Activities
14613312 10.1021/jm0303094 Histone deacetylase 1
12419380 10.1016/s0960-894x(02)00754-0 Histone deacetylase (HDAC1 and HDAC2) 1

Data from ChEMBL 36 via Core Engine