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Compound Detail

CHEMBL220300

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Oc1cccc(/C=N/c2ccc(/N=C/c3cccc(O)c3)c3ccccc23)c1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL220300
Phase Preclinical
Structure Type MOL
InChI Key SPQBMTYXGDKPIZ-RYQLWAFASA-N
0
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

366.4
MW (Da)
5.75
ALogP
4
HBA
2
HBD
65.2
PSA (Ų)
0.45
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 C24H18N2O2
MW 366.42
Aromatic Rings 4
Heavy Atoms 28
NP-Likeness -0.33

Activity Summary

IC50 1 meas.

Literature References

PubMed DOI Target Context # Activities
17181175 10.1021/jm060566j NAD-dependent protein deacetylase sirtuin-2 2

Data from ChEMBL 36 via Core Engine