Skip to main content
Free research Free research Free compound review with research home and workspace preview
Quick search ChEMBL 36
Compound Detail

CHEMBL222448

Enter ChEMBL ID:
Free Research Context This compound will appear in recent viewed items on the research home for this browser.
Research home View demo workspace
O=C(O)/C=C/C(=O)Nc1cccc(NC(=O)c2ccccc2O)c1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL222448
Phase Preclinical
Structure Type MOL
InChI Key OCPJHUJTVSPFBE-CMDGGOBGSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

326.3
MW (Da)
2.22
ALogP
4
HBA
4
HBD
115.7
PSA (Ų)
0.63
QED
0
Ro5 Violations
5
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C17H14N2O5
MW 326.31
Aromatic Rings 2
Heavy Atoms 24
NP-Likeness -0.80

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