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Compound Detail

CHEMBL2037272

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CC(=O)Nc1ccc(/C=C/c2nc3cc(C(F)(F)F)ccc3[nH]2)cc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL2037272
Phase Preclinical
Structure Type MOL
InChI Key JSNXXLHOIRDSHE-RUDMXATFSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

345.3
MW (Da)
4.71
ALogP
2
HBA
2
HBD
57.8
PSA (Ų)
0.72
QED
0
Ro5 Violations
3
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C18H14F3N3O
MW 345.32
Aromatic Rings 3
Heavy Atoms 25
NP-Likeness -1.37

Activity Summary

EC50 1 meas. best 6.0

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
NON-PROTEIN TARGET
CHEMBL3879801
 EC50 6.0 6.0 1000.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
NON-PROTEIN TARGET EC50 = 1000.0 nM 6.0 Antiviral activity against Human respiratory syncytial virus A2 ATCC VR-1540 inf... 22513121

Literature References

PubMed DOI Target Context # Activities
22513121 10.1016/j.ejmech.2012.03.038 NON-PROTEIN TARGET 1

Data from ChEMBL 36 via Core Engine