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Compound Detail

CHEMBL2385513

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O=C(O)c1cc(-c2ccc(C(F)(F)F)cc2)nc2ccc(Cl)cc12

Basic Information

ChEMBL ID CHEMBL2385513
Phase Preclinical
Structure Type MOL
InChI Key DLJABFIFJHENJO-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

351.7
MW (Da)
5.27
ALogP
2
HBA
1
HBD
50.2
PSA (Ų)
0.68
QED
1
Ro5 Violations
2
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C17H9ClF3NO2
MW 351.71
Aromatic Rings 3
Heavy Atoms 24
NP-Likeness -1.33

Activity Summary

EC50 1 meas. best 4.45

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Vesicular stomatitis virus
CHEMBL613739
EC50 4.45 4.45 35300.0 1

Activity Data Samples

Top measurements by pChEMBL value

Literature References

PubMed DOI Target Context # Activities
23930152 10.1021/ml300464h Vesicular stomatitis virus 1

Data from ChEMBL 36 via Core Engine