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Compound Detail

CHEMBL270534

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O=c1c(O)c(-c2cccc(C(F)(F)F)c2)oc2ccccc12
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL270534
Phase Preclinical
Structure Type MOL
InChI Key HQPOPVVDYTZGKQ-UHFFFAOYSA-N
0
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

306.2
MW (Da)
4.18
ALogP
3
HBA
1
HBD
50.4
PSA (Ų)
0.73
QED
0
Ro5 Violations
1
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C16H9F3O3
MW 306.24
Aromatic Rings 3
Heavy Atoms 22
NP-Likeness -0.06

Activity Summary

EC50 1 meas.

Literature References

PubMed DOI Target Context # Activities
18307286 10.1021/jm070352h Aorta 5

Data from ChEMBL 36 via Core Engine