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Compound Detail

CHEMBL48926

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CN(C)c1nc(C(F)(F)F)nc2c1ncn2Cc1ccc(Br)cc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL48926
Phase Preclinical
Structure Type MOL
InChI Key SJNSPNDULBFGNL-UHFFFAOYSA-N
1
Targets
16
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

400.2
MW (Da)
3.72
ALogP
5
HBA
0
HBD
46.8
PSA (Ų)
0.67
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 C15H13BrF3N5
MW 400.20
Aromatic Rings 3
Heavy Atoms 24
NP-Likeness -1.46

Activity Summary

IC50 16 meas. best 7.52

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Human rhinovirus sp.
CHEMBL612470
 IC50 7.52 5.5019 30.0 16

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Human rhinovirus sp. IC50 = 30.0 nM 7.52 Antiviral activity against rhinoviral-1B serotype in a plaque inhibition assay u... 2547069
Human rhinovirus sp. IC50 = 700.0 nM 6.16 Antiviral activity against rhinoviral 9 serotype in a plaque inhibition assay us... 2547069
Human rhinovirus sp. IC50 = 760.0 nM 6.12 Antiviral activity against rhinoviral-1A serotype in a plaque inhibition assay u... 2547069
Human rhinovirus sp. IC50 = 1200.0 nM 5.92 Antiviral activity against rhinoviral 16 serotype in a plaque inhibition assay u... 2547069
Human rhinovirus sp. IC50 = 3200.0 nM 5.5 Antiviral activity against rhinoviral 29 serotype in a plaque inhibition assay u... 2547069
Human rhinovirus sp. IC50 = 4600.0 nM 5.34 Antiviral activity against rhinoviral 30 serotype in a plaque inhibition assay u... 2547069
Human rhinovirus sp. IC50 = 5000.0 nM 5.3 Antiviral activity against rhinoviral 21 serotype in a plaque inhibition assay u... 2547069
Human rhinovirus sp. IC50 = 5500.0 nM 5.26 Antiviral activity against rhinoviral 31 serotype in a plaque inhibition assay u... 2547069
Human rhinovirus sp. IC50 = 5700.0 nM 5.24 Antiviral activity against rhinoviral 15 serotype in a plaque inhibition assay u... 2547069
Human rhinovirus sp. IC50 = 7300.0 nM 5.14 Antiviral activity against rhinoviral 2 serotype in a plaque inhibition assay us... 2547069
Human rhinovirus sp. IC50 = 7600.0 nM 5.12 Antiviral activity against rhinoviral 4 serotype in a plaque inhibition assay us... 2547069
Human rhinovirus sp. IC50 = 7500.0 nM 5.12 Antiviral activity against rhinoviral 18 serotype in a plaque inhibition assay u... 2547069
Human rhinovirus sp. IC50 = 8000.0 nM 5.1 Antiviral activity against rhinoviral 3 serotype in a plaque inhibition assay us... 2547069
Human rhinovirus sp. IC50 = 8100.0 nM 5.09 Antiviral activity against rhinoviral 14 serotype in a plaque inhibition assay u... 2547069
Human rhinovirus sp. IC50 = 8300.0 nM 5.08 Antiviral activity against rhinoviral 8 serotype in a plaque inhibition assay us... 2547069
Human rhinovirus sp. IC50 = 9500.0 nM 5.02 Antiviral activity against rhinoviral 12 serotype in a plaque inhibition assay u... 2547069

Literature References

PubMed DOI Target Context # Activities
2547069 10.1021/jm00128a016 Human rhinovirus sp. 19

Data from ChEMBL 36 via Core Engine