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Compound Detail

CHEMBL3262116

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COc1cc(/C=C2\Oc3cc(O)ccc3C2=O)cc(OC)c1OC
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL3262116
Phase Preclinical
Structure Type MOL
InChI Key BJFMTVYSEMXVAK-NSIKDUERSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
4
Publications
0
Known Names

Molecular Properties

328.3
MW (Da)
3.03
ALogP
6
HBA
1
HBD
74.2
PSA (Ų)
0.87
QED
0
Ro5 Violations
4
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

Natural Product First in Class Prodrug

Extended Properties

Molecular Formula C18H16O6
MW 328.32
Aromatic Rings 2
Heavy Atoms 24
NP-Likeness 0.37

Literature References

PubMed DOI Target Context # Activities
24813880 10.1016/j.ejmech.2014.04.076 Unchecked 2
24813880 10.1016/j.ejmech.2014.04.076 Plasmodium falciparum 1
24813880 10.1016/j.ejmech.2014.04.076 HEK-293T 1
38052378 10.1016/j.bmcl.2023.129574 Pancreatic triacylglycerol lipase 1

Data from ChEMBL 36 via Core Engine