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Compound Detail

CHEMBL3423234

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FC(F)(F)c1ccc(-c2nn(-c3ccccc3)cc2CNc2ccc(Br)cc2)cc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL3423234
Phase Preclinical
Structure Type MOL
InChI Key JULVJQCOQXMCEC-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
13
Publications
0
Known Names

Molecular Properties

472.3
MW (Da)
6.93
ALogP
3
HBA
1
HBD
29.9
PSA (Ų)
0.34
QED
1
Ro5 Violations
5
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C23H17BrF3N3
MW 472.31
Aromatic Rings 4
Heavy Atoms 30
NP-Likeness -1.86

Activity Summary

EC50 1 meas. best 5.3

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Respiratory syncytial virus
CHEMBL612679
 EC50 5.3 5.3 5000.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Respiratory syncytial virus EC50 = 5000.0 nM 5.3 Antiviral activity against RSV infected in African green monkey Vero 76 cells af... 25913116

Literature References

PubMed DOI Target Context # Activities
25913116 10.1016/j.bmcl.2015.04.006 ADMET 3
25913116 10.1016/j.bmcl.2015.04.006 Bovine viral diarrhea virus 1 1
25913116 10.1016/j.bmcl.2015.04.006 Yellow fever virus 1
25913116 10.1016/j.bmcl.2015.04.006 Respiratory syncytial virus 1
25913116 10.1016/j.bmcl.2015.04.006 Unchecked 1
25913116 10.1016/j.bmcl.2015.04.006 MT4 1
25913116 10.1016/j.bmcl.2015.04.006 Human immunodeficiency virus 1 1
25913116 10.1016/j.bmcl.2015.04.006 NON-PROTEIN TARGET 1
25913116 10.1016/j.bmcl.2015.04.006 Coxsackievirus B5 1
25913116 10.1016/j.bmcl.2015.04.006 Enterovirus C 1
25913116 10.1016/j.bmcl.2015.04.006 Vaccinia virus 1
25913116 10.1016/j.bmcl.2015.04.006 Human alphaherpesvirus 1 1
25913116 10.1016/j.bmcl.2015.04.006 Vesicular stomatitis virus 1

Data from ChEMBL 36 via Core Engine