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

CHEMBL573609

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)CCCNc1ccc(/N=N/c2c(F)cccc2F)cc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL573609
Phase Preclinical
Structure Type MOL
InChI Key AOWSXBMELKBWEQ-QURGRASLSA-N
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
13
Publications
0
Known Names

Molecular Properties

318.4
MW (Da)
4.74
ALogP
4
HBA
1
HBD
40.0
PSA (Ų)
0.59
QED
0
Ro5 Violations
7
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C17H20F2N4
MW 318.37
Aromatic Rings 2
Heavy Atoms 23
NP-Likeness -1.34

Activity Summary

EC50 2 meas. best 5.0

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Yellow fever virus
CHEMBL613731
 EC50 5.0 5.0 10000.0 1
Mammalian orthoreovirus 1
CHEMBL612927
 EC50 4.92 4.92 12000.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Yellow fever virus EC50 = 10000.0 nM 5.0 Antiviral activity against Yellow fever virus infected in BHK-21 cells assessed ... 19482481
Mammalian orthoreovirus 1 EC50 = 12000.0 nM 4.92 Antiviral activity against Reovirus-1 infected in BHK-21 cells assessed as inhib... 19482481

Literature References

PubMed DOI Target Context # Activities
19482481 10.1016/j.bmc.2009.05.020 ADMET 2
19482481 10.1016/j.bmc.2009.05.020 Human alphaherpesvirus 1 1
19482481 10.1016/j.bmc.2009.05.020 Respiratory syncytial virus 1
19482481 10.1016/j.bmc.2009.05.020 Coxsackievirus B2 1
19482481 10.1016/j.bmc.2009.05.020 Vero 1
19482481 10.1016/j.bmc.2009.05.020 Mammalian orthoreovirus 1 1
19482481 10.1016/j.bmc.2009.05.020 Yellow fever virus 1
19482481 10.1016/j.bmc.2009.05.020 Bovine viral diarrhea virus 1 1
19482481 10.1016/j.bmc.2009.05.020 MT4 1
19482481 10.1016/j.bmc.2009.05.020 Human immunodeficiency virus 1 1
19482481 10.1016/j.bmc.2009.05.020 Vesicular stomatitis virus 1
19482481 10.1016/j.bmc.2009.05.020 Vaccinia virus 1
19482481 10.1016/j.bmc.2009.05.020 Poliovirus 1 1

Data from ChEMBL 36 via Core Engine