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Compound Detail

CHEMBL4469996

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CCOC(=O)c1ccc2[nH]c(-c3ccc(OC(F)(F)F)cc3)nc2c1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL4469996
Phase Preclinical
Structure Type MOL
InChI Key XAHGTSUCGMHRTI-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
3
Publications
0
Known Names

Molecular Properties

350.3
MW (Da)
4.31
ALogP
4
HBA
1
HBD
64.2
PSA (Ų)
0.71
QED
0
Ro5 Violations
4
Rot. Bonds

Drug Information

Molecule Type Unknown
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C17H13F3N2O3
MW 350.30
Aromatic Rings 3
Heavy Atoms 25
NP-Likeness -1.24

Literature References

PubMed DOI Target Context # Activities
32904142 10.1039/C9MD00323A NAD-dependent protein deacetylase sirtuin-1 1
32904142 10.1039/C9MD00323A NAD-dependent protein deacetylase sirtuin-2 1
32904142 10.1039/C9MD00323A NAD-dependent protein deacetylase sirtuin-3, mitochondrial 1

Data from ChEMBL 36 via Core Engine