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

CHEMBL593617

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
O=C(NCCCCNC(=O)c1ccccc1O)c1ccccc1O
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL593617
Phase Preclinical
Structure Type MOL
InChI Key WIKQEUHLUWLDPP-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
18
Publications
0
Known Names

Molecular Properties

328.4
MW (Da)
2.04
ALogP
4
HBA
4
HBD
98.7
PSA (Ų)
0.58
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 C18H20N2O4
MW 328.37
Aromatic Rings 2
Heavy Atoms 24
NP-Likeness -0.43

Activity Summary

EC50 1 meas. best 4.96

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Hepatitis C virus
CHEMBL379
 EC50 4.96 4.96 11000.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Hepatitis C virus EC50 = 11000.0 nM 4.96 Antiviral activity against HCV genotype 1b I389luc-ubi-neo/NS3-3'/5.1 replicons ... 25617695

Literature References

PubMed DOI Target Context # Activities
25617695 10.1016/j.ejmech.2015.01.033 Human respirovirus 3 1
25617695 10.1016/j.ejmech.2015.01.033 NON-PROTEIN TARGET 1
25617695 10.1016/j.ejmech.2015.01.033 Felid alphaherpesvirus 1 1
25617695 10.1016/j.ejmech.2015.01.033 Feline coronavirus 1
25617695 10.1016/j.ejmech.2015.01.033 Punta Toro virus 1
25617695 10.1016/j.ejmech.2015.01.033 Influenza A virus 1
25617695 10.1016/j.ejmech.2015.01.033 Influenza A virus H3N2 1
25617695 10.1016/j.ejmech.2015.01.033 Sindbis virus 1
25617695 10.1016/j.ejmech.2015.01.033 Reovirus sp. 1
19884012 10.1016/j.bmc.2009.10.037 3-oxoacyl-[acyl-carrier-protein] synthase 3 1
25617695 10.1016/j.ejmech.2015.01.033 Respiratory syncytial virus 1
25617695 10.1016/j.ejmech.2015.01.033 Coxsackievirus B4 1
25617695 10.1016/j.ejmech.2015.01.033 Vesicular stomatitis virus 1
25617695 10.1016/j.ejmech.2015.01.033 Vaccinia virus 1
25617695 10.1016/j.ejmech.2015.01.033 ADMET 1
25617695 10.1016/j.ejmech.2015.01.033 Hepatitis C virus 1
25617695 10.1016/j.ejmech.2015.01.033 CCRF-CEM 1
25617695 10.1016/j.ejmech.2015.01.033 Human immunodeficiency virus 1 1

Data from ChEMBL 36 via Core Engine