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Compound Detail

CHEMBL2017117

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COc1ccc(-c2oc3cc(O)ccc3c(=O)c2O)cc1O
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL2017117
Phase Preclinical
Structure Type MOL
InChI Key QVYSSMFEUBQBEU-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

300.3
MW (Da)
2.59
ALogP
6
HBA
3
HBD
100.1
PSA (Ų)
0.67
QED
0
Ro5 Violations
2
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

Natural Product First in Class Prodrug

Extended Properties

Molecular Formula C16H12O6
MW 300.27
Aromatic Rings 3
Heavy Atoms 22
NP-Likeness 1.19

Literature References

PubMed DOI Target Context # Activities
22450131 10.1016/j.bmcl.2012.02.088 Pancreatic triacylglycerol lipase 2

Data from ChEMBL 36 via Core Engine