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

CHEMBL313497

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=C1CCc2c(ccc3ccc4c(c23)CCC(=O)O4)O1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL313497
Phase Preclinical
Structure Type MOL
InChI Key TZDMNFIBGIMXDA-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

268.3
MW (Da)
2.54
ALogP
4
HBA
0
HBD
52.6
PSA (Ų)
0.54
QED
0
Ro5 Violations
0
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C16H12O4
MW 268.27
Aromatic Rings 2
Heavy Atoms 20
NP-Likeness 0.59

Literature References

PubMed DOI Target Context # Activities
15115404 10.1021/jm030473r NAD-dependent histone deacetylase SIR2 2

Data from ChEMBL 36 via Core Engine