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Compound Detail

CHEMBL222147

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Oc1ccccc1/C=N/c1ccc(OCCCCOc2ccc(/N=C/c3ccccc3O)cc2)cc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL222147
Phase Preclinical
Structure Type MOL
InChI Key PRARJPZXRGDHOE-RWRHWQIFSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

480.6
MW (Da)
6.84
ALogP
6
HBA
2
HBD
83.6
PSA (Ų)
0.18
QED
1
Ro5 Violations
11
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C30H28N2O4
MW 480.56
Aromatic Rings 4
Heavy Atoms 36
NP-Likeness -0.46

Literature References

PubMed DOI Target Context # Activities
15566299 10.1021/jm049933m NAD-dependent protein deacetylase sirtuin-2 1

Data from ChEMBL 36 via Core Engine