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Compound Detail

CHEMBL225971

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N#C/C(=C\c1ccc(-c2ccccc2Cl)o1)C(=O)Nc1cccc2cccnc12

Basic Information

ChEMBL ID CHEMBL225971
Phase Preclinical
Structure Type MOL
InChI Key XPCOAVYCHRMBET-DTQAZKPQSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
3
Publications
0
Known Names

Molecular Properties

399.8
MW (Da)
5.69
ALogP
4
HBA
1
HBD
78.9
PSA (Ų)
0.35
QED
1
Ro5 Violations
4
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C23H14ClN3O2
MW 399.84
Aromatic Rings 4
Heavy Atoms 29
NP-Likeness -1.70

Literature References

PubMed DOI Target Context # Activities
17588900 10.1126/science.1143780 NAD-dependent protein deacetylase sirtuin-1 1
17588900 10.1126/science.1143780 NAD-dependent protein deacetylase sirtuin-2 1
17588900 10.1126/science.1143780 NAD-dependent protein deacetylase sirtuin-3, mitochondrial 1

Data from ChEMBL 36 via Core Engine