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Compound Detail

CHEMBL3601837

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COc1ccc(CCCc2cccc(O)c2)cc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL3601837
Phase Preclinical
Structure Type MOL
InChI Key VPUVUASMODAGIO-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

242.3
MW (Da)
3.58
ALogP
2
HBA
1
HBD
29.5
PSA (Ų)
0.87
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 C16H18O2
MW 242.32
Aromatic Rings 2
Heavy Atoms 18
NP-Likeness 0.23

Literature References

PubMed DOI Target Context # Activities
28256373 10.1016/j.bmcl.2017.02.038 RAW264.7 9
26235033 10.1021/acs.jnatprod.5b00114 Plasmodium falciparum 3

Data from ChEMBL 36 via Core Engine