Skip to main content
Free research Free research Free compound review with research home and workspace preview
Quick search ChEMBL 36
Compound Detail

CHEMBL299959

Enter ChEMBL ID:
Free Research Context This compound will appear in recent viewed items on the research home for this browser.
Research home View demo workspace
CN(C)c1nc(C(F)(F)F)nc2c1ncn2Cc1ccccc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL299959
Phase Preclinical
Structure Type MOL
InChI Key UHHZFFCYTMOYLZ-UHFFFAOYSA-N
4
Targets
13
Activities
1
Assay Types
0
PK Parameters
4
Publications
0
Known Names

Molecular Properties

321.3
MW (Da)
2.96
ALogP
5
HBA
0
HBD
46.8
PSA (Ų)
0.74
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 C15H14F3N5
MW 321.31
Aromatic Rings 3
Heavy Atoms 23
NP-Likeness -1.42

Activity Summary

IC50 13 meas. best 7.4

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Human rhinovirus sp.
CHEMBL612470
 IC50 7.4 5.722 40.0 10
NON-PROTEIN TARGET
CHEMBL3879801
 IC50 5.0 5.0 10000.0 1
Phosphodiesterase 4
CHEMBL2093863
 IC50 4.96 4.96 11000.0 1
Phosphodiesterase 3
CHEMBL2094125
 IC50 4.21 4.21 61000.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Human rhinovirus sp. IC50 = 40.0 nM 7.4 Antiviral activity against rhinoviral-1B serotype in a plaque inhibition assay u... 2547069
Human rhinovirus sp. IC50 = 460.0 nM 6.34 Antiviral activity against rhinoviral 9 serotype in a plaque inhibition assay us... 2547069
Human rhinovirus sp. IC50 = 960.0 nM 6.02 Antiviral activity against rhinoviral 16 serotype in a plaque inhibition assay u... 2547069
Human rhinovirus sp. IC50 = 1100.0 nM 5.96 Antiviral activity against rhinoviral-1A 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 = 3800.0 nM 5.42 Antiviral activity against rhinoviral 12 serotype in a plaque inhibition assay u... 2547069
Human rhinovirus sp. IC50 = 4800.0 nM 5.32 Antiviral activity against rhinoviral 15 serotype in a plaque inhibition assay u... 2547069
Human rhinovirus sp. IC50 = 8000.0 nM 5.1 Antiviral activity against rhinoviral 8 serotype in a plaque inhibition assay us... 2547069
Human rhinovirus sp. IC50 = 8000.0 nM 5.1 Antiviral activity against rhinoviral 14 serotype in a plaque inhibition assay u... 2547069
Human rhinovirus sp. IC50 = 8800.0 nM 5.06 Antiviral activity against rhinoviral 4 serotype in a plaque inhibition assay us... 2547069
NON-PROTEIN TARGET IC50 = 10000.0 nM 5.0 Antiviral activity against rhinoviral 18 serotype in a plaque inhibition assay u... 2547069
Phosphodiesterase 4 IC50 = 11000.0 nM 4.96 Inhibition of phosphodiesterase 4 at 1 uM cAMP 9191951
Phosphodiesterase 3 IC50 = 61000.0 nM 4.21 Inhibition of phosphodiesterase 3 at 1 uM cAMP 9191951

Literature References

PubMed DOI Target Context # Activities
2547069 10.1021/jm00128a016 Human rhinovirus sp. 17
2547069 10.1021/jm00128a016 NON-PROTEIN TARGET 2
9191951 10.1021/jm960827x Phosphodiesterase 3 1
9191951 10.1021/jm960827x Phosphodiesterase 4 1

Data from ChEMBL 36 via Core Engine