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Compound Detail

CHEMBL374739

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Oc1ccc(/C=N/c2ccc(Cc3ccc(/N=C/c4ccc(O)c(O)c4)cc3)cc2)cc1O
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL374739
Phase Preclinical
Structure Type MOL
InChI Key JVTGQUJALZMOKI-LPHFKDDMSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

438.5
MW (Da)
5.60
ALogP
6
HBA
4
HBD
105.6
PSA (Ų)
0.23
QED
1
Ro5 Violations
6
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C27H22N2O4
MW 438.48
Aromatic Rings 4
Heavy Atoms 33
NP-Likeness -0.14

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