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

CHEMBL1774257

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)c1ccc(/C=N/N=c2\[nH]c(-c3ccc(F)cc3)cs2)cc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL1774257
Phase Preclinical
Structure Type MOL
InChI Key IJFDWALAFKFQNR-RGVLZGJSSA-N
4
Targets
4
Activities
1
Assay Types
0
PK Parameters
7
Publications
0
Known Names

Molecular Properties

340.4
MW (Da)
3.88
ALogP
4
HBA
1
HBD
43.8
PSA (Ų)
0.57
QED
0
Ro5 Violations
4
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C18H17FN4S
MW 340.43
Aromatic Rings 3
Heavy Atoms 24
NP-Likeness -1.91

Activity Summary

EC50 4 meas. best 5.2

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Hepatitis C virus
CHEMBL379
 EC50 5.2 5.2 6320.0 1
Human alphaherpesvirus 3
CHEMBL613132
 EC50 4.78 4.78 16600.0 1
NON-PROTEIN TARGET
CHEMBL3879801
 EC50 4.44 4.44 36000.0 1
Vaccinia virus
CHEMBL613493
 EC50 4.13 4.13 73600.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Hepatitis C virus EC50 = 6320.0 nM 5.2 Antiviral activity against Hepatitis C virus infected in human Huh7ET cells asse... 21376429
Human alphaherpesvirus 3 EC50 = 16600.0 nM 4.78 Antiviral activity against Varicella-zoster virus Ellen infected in 1 hr pretrea... 21376429
NON-PROTEIN TARGET EC50 = 36000.0 nM 4.44 Antiviral activity against Cowpox virus (Brighton Red) infected in human HFF cel... 21376429
Vaccinia virus EC50 = 73600.0 nM 4.13 Antiviral activity against Vaccinia virus Copenhagen infected in human HFF cells... 21376429

Literature References

PubMed DOI Target Context # Activities
21376429 10.1016/j.ejmech.2011.02.014 Unchecked 6
21376429 10.1016/j.ejmech.2011.02.014 HFF 4
21376429 10.1016/j.ejmech.2011.02.014 Hepatitis C virus 3
21376429 10.1016/j.ejmech.2011.02.014 Human alphaherpesvirus 3 2
21376429 10.1016/j.ejmech.2011.02.014 Human betaherpesvirus 5 2
21376429 10.1016/j.ejmech.2011.02.014 NON-PROTEIN TARGET 2
21376429 10.1016/j.ejmech.2011.02.014 Vaccinia virus 2

Data from ChEMBL 36 via Core Engine