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Compound Detail

CHEMBL38870

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c1ccc(Cc2ccc(OCCOC3CCCCO3)cc2)cc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL38870
Phase Preclinical
Structure Type MOL
InChI Key HKSIHVWLLWFLMZ-UHFFFAOYSA-N
0
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

312.4
MW (Da)
4.20
ALogP
3
HBA
0
HBD
27.7
PSA (Ų)
0.72
QED
0
Ro5 Violations
7
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C20H24O3
MW 312.41
Aromatic Rings 2
Heavy Atoms 23
NP-Likeness -0.21

Activity Summary

IC50 1 meas.

Literature References

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

Data from ChEMBL 36 via Core Engine