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Compound Detail

CHEMBL39195

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C=CCOc1ccc(Oc2ccc(C(=O)c3ccccc3)cc2)cc1

Basic Information

ChEMBL ID CHEMBL39195
Phase Preclinical
Structure Type MOL
InChI Key PKSDYQZBQQHTJI-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

330.4
MW (Da)
5.27
ALogP
3
HBA
0
HBD
35.5
PSA (Ų)
0.44
QED
1
Ro5 Violations
7
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C22H18O3
MW 330.38
Aromatic Rings 3
Heavy Atoms 25
NP-Likeness -0.40

Literature References

PubMed DOI Target Context # Activities
9554887 10.1021/jm970860z Trypanosoma cruzi 1

Data from ChEMBL 36 via Core Engine