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Compound Detail

CHEMBL3262113

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COc1cc(/C=C2\Oc3c(OC)cccc3C2=O)cc(OC)c1OC
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL3262113
Phase Preclinical
Structure Type MOL
InChI Key QIESMIUREKQIFR-ZSOIEALJSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
3
Publications
0
Known Names

Molecular Properties

342.4
MW (Da)
3.34
ALogP
6
HBA
0
HBD
63.2
PSA (Ų)
0.78
QED
0
Ro5 Violations
5
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C19H18O6
MW 342.35
Aromatic Rings 2
Heavy Atoms 25
NP-Likeness -0.03

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

Data from ChEMBL 36 via Core Engine