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

CHEMBL501943

DADAHOL A
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
COc1cc(C(O)C(COC(=O)/C=C/c2ccc(O)cc2)Oc2c(OC)cc(/C=C/COC(=O)/C=C/c3ccc(O)cc3)cc2OC)ccc1O
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL501943
Name DADAHOL A
Phase Preclinical
Structure Type MOL
InChI Key IKHAPHPJWABCCU-WGSZPKJISA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

698.7
MW (Da)
5.84
ALogP
12
HBA
4
HBD
170.4
PSA (Ų)
0.08
QED
3
Ro5 Violations
16
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

Natural Product First in Class Prodrug

Extended Properties

Molecular Formula C39H38O12
MW 698.72
Aromatic Rings 4
Heavy Atoms 51
NP-Likeness 0.83

Literature References

PubMed DOI Target Context # Activities
11858749 10.1021/np010451c Prostaglandin G/H synthase 1 1
11858749 10.1021/np010451c Prostaglandin G/H synthase 2 1

Data from ChEMBL 36 via Core Engine