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Compound Detail

CHEMBL371286

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CC(NC(=O)c1ccccc1/N=C/c1cccc2ccccc12)c1ccccc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL371286
Phase Preclinical
Structure Type MOL
InChI Key SYHTVRDIFOPKDP-OVVQPSECSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
3
Publications
0
Known Names

Molecular Properties

378.5
MW (Da)
6.08
ALogP
2
HBA
1
HBD
41.5
PSA (Ų)
0.42
QED
1
Ro5 Violations
5
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C26H22N2O
MW 378.48
Aromatic Rings 4
Heavy Atoms 29
NP-Likeness -1.07

Literature References

PubMed DOI Target Context # Activities
16302818 10.1021/jm050100l NAD-dependent histone deacetylase SIR2 2
16302818 10.1021/jm050100l NAD-dependent protein deacetylase sirtuin-1 2
16302818 10.1021/jm050100l NAD-dependent protein deacetylase sirtuin-2 2

Data from ChEMBL 36 via Core Engine