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

CHEMBL611034

DESMETHYLDEHYDROALTENUSIN
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
CC12C=C(O)C(=O)C=C1c1cc(O)cc(O)c1C(=O)O2

Basic Information

ChEMBL ID CHEMBL611034
Name DESMETHYLDEHYDROALTENUSIN
Phase Preclinical
Structure Type MOL
InChI Key HKBOKSSAYTZITB-UHFFFAOYSA-N
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

274.2
MW (Da)
1.43
ALogP
6
HBA
3
HBD
104.1
PSA (Ų)
0.62
QED
0
Ro5 Violations
0
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

Natural Product First in Class Prodrug

Extended Properties

Molecular Formula C14H10O6
MW 274.23
Aromatic Rings 1
Heavy Atoms 20
NP-Likeness 2.41

Activity Summary

IC50 2 meas. best 6.05

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Unchecked
CHEMBL612545
IC50 6.05 6.05 890.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Unchecked IC50 = 890.0 nM 6.05 Inhibition of calf thymus DNA polymerase alpha by [3H]dTTP incorporation assay 19767211

Literature References

PubMed DOI Target Context # Activities
19767211 10.1016/j.bmc.2009.08.051 Unchecked 3
19767211 10.1016/j.bmc.2009.08.051 DNA polymerase beta 1

Data from ChEMBL 36 via Core Engine