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Compound Detail

CHEMBL2385712

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O=C(O)c1cc(-c2ccc(Oc3cccc(F)c3)cc2)nc2ccc(F)cc12

Basic Information

ChEMBL ID CHEMBL2385712
Phase Preclinical
Structure Type MOL
InChI Key WEBJGBYOTXMIDA-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

377.4
MW (Da)
5.67
ALogP
3
HBA
1
HBD
59.4
PSA (Ų)
0.50
QED
1
Ro5 Violations
4
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C22H13F2NO3
MW 377.35
Aromatic Rings 4
Heavy Atoms 28
NP-Likeness -1.18

Activity Summary

EC50 1 meas. best 7.0

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Vesicular stomatitis virus
CHEMBL613739
EC50 7.0 7.0 100.0 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