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Compound Detail

CHEMBL297874

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CN(C)c1nc(C(F)(F)F)nc2c1ncn2Cc1ccc(C#N)cc1

Basic Information

ChEMBL ID CHEMBL297874
Phase Preclinical
Structure Type MOL
InChI Key FYCBJADUORSXCJ-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

346.3
MW (Da)
2.83
ALogP
6
HBA
0
HBD
70.6
PSA (Ų)
0.73
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 C16H13F3N6
MW 346.32
Aromatic Rings 3
Heavy Atoms 25
NP-Likeness -1.68

Activity Summary

IC50 1 meas. best 6.52

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Human rhinovirus sp.
CHEMBL612470
IC50 6.52 6.52 300.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Human rhinovirus sp. IC50 = 300.0 nM 6.52 Antiviral activity against rhinoviral-1B serotype in a plaque inhibition assay u... 2547069

Literature References

PubMed DOI Target Context # Activities
2547069 10.1021/jm00128a016 Human rhinovirus sp. 1

Data from ChEMBL 36 via Core Engine