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Compound Detail

CHEMBL2332049

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NC(=O)c1cc2ncnc(Cl)c2s1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL2332049
Phase Preclinical
Structure Type MOL
InChI Key UGHXFHLQVJRWID-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
3
Publications
0
Known Names

Molecular Properties

213.7
MW (Da)
1.44
ALogP
4
HBA
1
HBD
68.9
PSA (Ų)
0.73
QED
0
Ro5 Violations
1
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C7H4ClN3OS
MW 213.65
Aromatic Rings 2
Heavy Atoms 13
NP-Likeness -1.52

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