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Compound Detail

CHEMBL113886

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O=C(CCCCCCC(O)C(F)(F)F)Nc1cccc(-c2ccccc2)c1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL113886
Phase Preclinical
Structure Type MOL
InChI Key DYOQICHYTHDWCR-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

379.4
MW (Da)
5.56
ALogP
2
HBA
2
HBD
49.3
PSA (Ų)
0.56
QED
1
Ro5 Violations
9
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C21H24F3NO2
MW 379.42
Aromatic Rings 2
Heavy Atoms 27
NP-Likeness -0.66

Literature References

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

Data from ChEMBL 36 via Core Engine