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Compound Detail

CHEMBL390332

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N#C/C(=C\c1ccc(-c2cccc(Cl)c2Cl)o1)C(=O)Nc1cccc2ncccc12
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL390332
Phase Preclinical
Structure Type MOL
InChI Key RFDDNINWPNXLOG-WYMLVPIESA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
3
Publications
0
Known Names

Molecular Properties

434.3
MW (Da)
6.35
ALogP
4
HBA
1
HBD
78.9
PSA (Ų)
0.30
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 C23H13Cl2N3O2
MW 434.28
Aromatic Rings 4
Heavy Atoms 30
NP-Likeness -1.66

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