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Compound Detail

CHEMBL2338821

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CC(C)(C)C(=O)NCCC1CCN(c2ncnc3ccsc23)CC1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL2338821
Phase Preclinical
Structure Type MOL
InChI Key JGOJNINFLAGXME-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
3
Publications
0
Known Names

Molecular Properties

346.5
MW (Da)
3.46
ALogP
5
HBA
1
HBD
58.1
PSA (Ų)
0.92
QED
0
Ro5 Violations
4
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C18H26N4OS
MW 346.50
Aromatic Rings 2
Heavy Atoms 24
NP-Likeness -1.85

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