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

CHEMBL5273609

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
Nc1ncnn2c([C@@H]3N[C@H](CO)[C@@H](O)[C@H]3O)ccc12
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL5273609
Phase Preclinical
Structure Type MOL
InChI Key FTOYHDILRSXLKF-NZENMJELSA-N
11
Targets
28
Activities
1
Assay Types
0
PK Parameters
20
Publications
0
Known Names

Molecular Properties

265.3
MW (Da)
-1.96
ALogP
8
HBA
5
HBD
128.9
PSA (Ų)
0.43
QED
0
Ro5 Violations
2
Rot. Bonds

Drug Information

Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C11H15N5O3
MW 265.27
Aromatic Rings 2
Heavy Atoms 19
NP-Likeness 0.37

Activity Summary

EC50 28 meas. best 6.7

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Oropouche virus
CHEMBL5291624
 EC50 6.7 6.555 200.0 2
Influenza B virus
CHEMBL613129
 EC50 6.58 6.54 260.0 2
Punta Toro virus
CHEMBL613741
 EC50 6.57 6.535 270.0 2
Junin virus
CHEMBL4523072
 EC50 6.55 6.41 280.0 2
Influenza A virus
CHEMBL613740
 EC50 6.55 6.4663 280.0 8
Pichinde virus
CHEMBL613742
 EC50 6.52 6.47 300.0 2
Middle East respiratory syndrome-related coronavirus
CHEMBL4296578
 EC50 6.5 5.5 320.0 2
Zika virus
CHEMBL4296612
 EC50 6.5 6.46 320.0 2
dengue virus type 2
CHEMBL613966
 EC50 6.5 6.46 320.0 2
Tacaribe virus
CHEMBL613131
 EC50 6.48 6.455 330.0 2
Yellow fever virus
CHEMBL613731
 EC50 6.43 6.365 370.0 2

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Oropouche virus EC50 = 200.0 nM 6.7 Antiviral activity against Oro-pouche virus infected in African green monkey Ver... 37077387
Influenza B virus EC50 = 260.0 nM 6.58 Antiviral activity against Influenza B virus infected in dog MDCK cells assessed... 37077387
Punta Toro virus EC50 = 270.0 nM 6.57 Antiviral activity against Punta Toro virus infected in African green monkey Ver... 37077387
Influenza A virus EC50 = 280.0 nM 6.55 Antiviral activity against Influenza A virus H1N1 infected in dog MDCK cells ass... 37077387
Junin virus EC50 = 280.0 nM 6.55 Antiviral activity against Junin virus infected in African green monkey Vero E6 ... 37077387
Pichinde virus EC50 = 300.0 nM 6.52 Antiviral activity against Pichinde virus infected in African green monkey Vero ... 37077387
Influenza A virus EC50 = 310.0 nM 6.51 Antiviral activity against Influenza A virus H3N2 infected in dog MDCK cells ass... 37077387
Punta Toro virus EC50 = 320.0 nM 6.5 Antiviral activity against Punta Toro virus infected in African green monkey Ver... 37077387
Influenza B virus EC50 = 320.0 nM 6.5 Antiviral activity against Influenza B virus infected in dog MDCK cells assessed... 37077387
Influenza A virus EC50 = 320.0 nM 6.5 Antiviral activity against Influenza A virus H3N2 infected in dog MDCK cells ass... 37077387
Influenza A virus EC50 = 320.0 nM 6.5 Antiviral activity against Influenza A virus H1N1 infected in dog MDCK cells ass... 37077387
Middle East respiratory syndrome-related coronavirus EC50 = 320.0 nM 6.5 Antiviral activity against MERS-CoV infected in African green monkey Vero 76 cel... 37077387
Zika virus EC50 = 320.0 nM 6.5 Antiviral activity against Zika virus infected in African green monkey Vero 76 c... 37077387
dengue virus type 2 EC50 = 320.0 nM 6.5 Antiviral activity against DENV-2 infected in human Huh-7 cells assessed as redu... 37077387
Influenza A virus EC50 = 320.0 nM 6.5 Antiviral activity against Influenza A virus H1N1 infected in dog MDCK cells ass... 37077387
Tacaribe virus EC50 = 330.0 nM 6.48 Antiviral activity against Tacaribe virus infected in African green monkey Vero ... 37077387
Yellow fever virus EC50 = 370.0 nM 6.43 Antiviral activity against Yellow fever virus infected in human Huh-7 cells asse... 37077387
Tacaribe virus EC50 = 370.0 nM 6.43 Antiviral activity against Tacaribe virus infected in African green monkey Vero ... 37077387
Zika virus EC50 = 380.0 nM 6.42 Antiviral activity against Zika virus infected in African green monkey Vero 76 c... 37077387
Pichinde virus EC50 = 380.0 nM 6.42 Antiviral activity against Pichinde virus infected in African green monkey Vero ... 37077387

Literature References

PubMed DOI Target Context # Activities
37077387 10.1021/acsmedchemlett.3c00048 ADMET 47
37077387 10.1021/acsmedchemlett.3c00048 Influenza A virus 11
37077387 10.1021/acsmedchemlett.3c00048 Vero 76 10
37077387 10.1021/acsmedchemlett.3c00048 Vero C1008 9
37077387 10.1021/acsmedchemlett.3c00048 MDCK 9
37077387 10.1021/acsmedchemlett.3c00048 Huh-7 4
37077387 10.1021/acsmedchemlett.3c00048 Vero 4
37077387 10.1021/acsmedchemlett.3c00048 Rift Valley fever virus 3
37077387 10.1021/acsmedchemlett.3c00048 Influenza B virus 3
37077387 10.1021/acsmedchemlett.3c00048 Zika virus 2
37077387 10.1021/acsmedchemlett.3c00048 Middle East respiratory syndrome-related coronavirus 2
37077387 10.1021/acsmedchemlett.3c00048 Junin virus 2
37077387 10.1021/acsmedchemlett.3c00048 La Crosse virus 2
37077387 10.1021/acsmedchemlett.3c00048 Oropouche virus 2
37077387 10.1021/acsmedchemlett.3c00048 Pichinde virus 2
37077387 10.1021/acsmedchemlett.3c00048 Punta Toro virus 2
37077387 10.1021/acsmedchemlett.3c00048 Tacaribe virus 2
37077387 10.1021/acsmedchemlett.3c00048 Yellow fever virus 2
37077387 10.1021/acsmedchemlett.3c00048 dengue virus type 2 2
37077387 10.1021/acsmedchemlett.3c00048 Heartland virus 1

Data from ChEMBL 36 via Core Engine