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Compound Detail

CHEMBL3105174

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CCOC(=O)c1ccc2c(c1)nc(-c1ccc(OC(F)(F)F)cc1)n2CCO
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL3105174
Phase Preclinical
Structure Type MOL
InChI Key CLFKZGFBKRWXFZ-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

394.4
MW (Da)
3.77
ALogP
6
HBA
1
HBD
73.6
PSA (Ų)
0.64
QED
0
Ro5 Violations
6
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C19H17F3N2O4
MW 394.35
Aromatic Rings 3
Heavy Atoms 28
NP-Likeness -1.27

Literature References

PubMed DOI Target Context # Activities
24387981 10.1016/j.bmc.2013.12.029 NAD-dependent protein deacetylase sirtuin-2 2
24387981 10.1016/j.bmc.2013.12.029 NAD-dependent protein deacetylase sirtuin-1 2

Data from ChEMBL 36 via Core Engine