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Compound Detail

CHEMBL1814445

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COc1cccc(/C=C2\Oc3cc(O)cc(O)c3C2=O)c1OC
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL1814445
Phase Preclinical
Structure Type MOL
InChI Key XZAYICRXYYFYDI-NSIKDUERSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
4
Publications
0
Known Names

Molecular Properties

314.3
MW (Da)
2.73
ALogP
6
HBA
2
HBD
85.2
PSA (Ų)
0.85
QED
0
Ro5 Violations
3
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C17H14O6
MW 314.29
Aromatic Rings 2
Heavy Atoms 23
NP-Likeness 0.46

Literature References

PubMed DOI Target Context # Activities
21699179 10.1021/jm200242p Unchecked 2
21699179 10.1021/jm200242p Huh-7 1
21699179 10.1021/jm200242p HEK293 1
38052378 10.1016/j.bmcl.2023.129574 Pancreatic triacylglycerol lipase 1

Data from ChEMBL 36 via Core Engine