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Compound Detail

CHEMBL301387

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

Basic Information

ChEMBL ID CHEMBL301387
Phase Preclinical
Structure Type MOL
InChI Key GYEJXOIWVTWOBU-UHFFFAOYSA-N
1
Targets
16
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

355.8
MW (Da)
3.61
ALogP
5
HBA
0
HBD
46.8
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 C15H13ClF3N5
MW 355.75
Aromatic Rings 3
Heavy Atoms 24
NP-Likeness -1.58

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 5.4981 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 = 730.0 nM 6.14 Antiviral activity against rhinoviral-1A serotype in a plaque inhibition assay u... 2547069
Human rhinovirus sp. IC50 = 900.0 nM 6.05 Antiviral activity against rhinoviral 9 serotype in a plaque inhibition assay us... 2547069
Human rhinovirus sp. IC50 = 2500.0 nM 5.6 Antiviral activity against rhinoviral 29 serotype in a plaque inhibition assay u... 2547069
Human rhinovirus sp. IC50 = 3300.0 nM 5.48 Antiviral activity against rhinoviral 15 serotype in a plaque inhibition assay u... 2547069
Human rhinovirus sp. IC50 = 4300.0 nM 5.37 Antiviral activity against rhinoviral 14 serotype in a plaque inhibition assay u... 2547069
Human rhinovirus sp. IC50 = 5300.0 nM 5.28 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 8 serotype in a plaque inhibition assay us... 2547069
Human rhinovirus sp. IC50 = 6100.0 nM 5.21 Antiviral activity against rhinoviral 4 serotype in a plaque inhibition assay us... 2547069
Human rhinovirus sp. IC50 = 6500.0 nM 5.19 Antiviral activity against rhinoviral 19 serotype in a plaque inhibition assay u... 2547069
Human rhinovirus sp. IC50 = 6500.0 nM 5.19 Antiviral activity against rhinoviral 30 serotype in a plaque inhibition assay u... 2547069
Human rhinovirus sp. IC50 = 6600.0 nM 5.18 Antiviral activity against rhinoviral 2 serotype in a plaque inhibition assay us... 2547069
Human rhinovirus sp. IC50 = 6900.0 nM 5.16 Antiviral activity against rhinoviral 3 serotype in a plaque inhibition assay us... 2547069
Human rhinovirus sp. IC50 = 7400.0 nM 5.13 Antiviral activity against rhinoviral 12 serotype in a plaque inhibition assay u... 2547069
Human rhinovirus sp. IC50 = 7400.0 nM 5.13 Antiviral activity against rhinoviral 21 serotype in a plaque inhibition assay u... 2547069
Human rhinovirus sp. IC50 = 8000.0 nM 5.1 Antiviral activity against rhinoviral 5 serotype in a plaque inhibition assay us... 2547069

Literature References

PubMed DOI Target Context # Activities
2547069 10.1021/jm00128a016 Human rhinovirus sp. 17
2547069 10.1021/jm00128a016 NON-PROTEIN TARGET 2

Data from ChEMBL 36 via Core Engine