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Compound Detail

CHEMBL40042

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C=CCOc1ccc(Oc2ccccc2)cc1Br
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL40042
Phase Preclinical
Structure Type MOL
InChI Key MIEQWDZKGFHBET-UHFFFAOYSA-N
0
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

305.2
MW (Da)
4.81
ALogP
2
HBA
0
HBD
18.5
PSA (Ų)
0.74
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 C15H13BrO2
MW 305.17
Aromatic Rings 2
Heavy Atoms 18
NP-Likeness -0.57

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