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Compound Detail

CHEMBL2338819

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CC(C)(C)C(=O)NCCC1CCN(c2ncnc3cc(C(=O)O)sc23)CC1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL2338819
Phase Preclinical
Structure Type MOL
InChI Key LNUHGARTZKDJOD-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
3
Publications
0
Known Names

Molecular Properties

390.5
MW (Da)
3.16
ALogP
6
HBA
2
HBD
95.4
PSA (Ų)
0.81
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 C19H26N4O3S
MW 390.51
Aromatic Rings 2
Heavy Atoms 27
NP-Likeness -1.38

Literature References

PubMed DOI Target Context # Activities
23570514 10.1021/jm400204k NAD-dependent protein deacetylase sirtuin-3, mitochondrial 1
23570514 10.1021/jm400204k NAD-dependent protein deacetylase sirtuin-2 1
23570514 10.1021/jm400204k NAD-dependent protein deacetylase sirtuin-1 1

Data from ChEMBL 36 via Core Engine