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Compound Detail

CHEMBL224844

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O=C(Nc1ccc(COc2ccccc2)cc1)Nc1cccc(C(=O)O)c1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL224844
Phase Preclinical
Structure Type MOL
InChI Key VTTXQJYYGCSRQS-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

362.4
MW (Da)
4.61
ALogP
3
HBA
3
HBD
87.7
PSA (Ų)
0.60
QED
0
Ro5 Violations
6
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C21H18N2O4
MW 362.39
Aromatic Rings 3
Heavy Atoms 27
NP-Likeness -1.10

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