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Compound Detail

CHEMBL583179

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[O-][n+]1n[nH]c2c(Cl)c3ncccc3cc21
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL583179
Phase Preclinical
Structure Type MOL
InChI Key JWFZNGCLGLDNIO-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
20
Publications
0
Known Names

Molecular Properties

220.6
MW (Da)
1.40
ALogP
3
HBA
1
HBD
68.5
PSA (Ų)
0.46
QED
0
Ro5 Violations
0
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C9H5ClN4O
MW 220.62
Aromatic Rings 3
Heavy Atoms 15
NP-Likeness -0.82

Activity Summary

EC50 1 meas. best 4.07

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Coxsackievirus B5
CHEMBL613555
 EC50 4.07 4.07 86000.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Coxsackievirus B5 EC50 = 86000.0 nM 4.07 Antiviral activity against Human coxsackievirus B5 Ohio-1 infected in african gr... 22047799

Literature References

PubMed DOI Target Context # Activities
19775780 10.1016/j.ejmech.2009.08.012 Human immunodeficiency virus 1 4
22047799 10.1016/j.bmc.2011.10.009 NON-PROTEIN TARGET 2
22047799 10.1016/j.bmc.2011.10.009 MT4 1
22047799 10.1016/j.bmc.2011.10.009 Human alphaherpesvirus 1 1
22047799 10.1016/j.bmc.2011.10.009 Poliovirus 1 1
22047799 10.1016/j.bmc.2011.10.009 Coxsackievirus B5 1
22047799 10.1016/j.bmc.2011.10.009 Vero 1
22047799 10.1016/j.bmc.2011.10.009 Reovirus sp. 1
22047799 10.1016/j.bmc.2011.10.009 Yellow fever virus 1
22047799 10.1016/j.bmc.2011.10.009 BHK-21 1
22047799 10.1016/j.bmc.2011.10.009 ADMET 1
22047799 10.1016/j.bmc.2011.10.009 Human immunodeficiency virus 1 1
19775780 10.1016/j.ejmech.2009.08.012 Bovine viral diarrhea virus 1 1
19775780 10.1016/j.ejmech.2009.08.012 MT4 1
19775780 10.1016/j.ejmech.2009.08.012 Vaccinia virus 1
19775780 10.1016/j.ejmech.2009.08.012 Mammalian orthoreovirus 1 1
19775780 10.1016/j.ejmech.2009.08.012 Vesicular stomatitis virus 1
19775780 10.1016/j.ejmech.2009.08.012 Respiratory syncytial virus 1
19775780 10.1016/j.ejmech.2009.08.012 Poliovirus 1 1
19775780 10.1016/j.ejmech.2009.08.012 Coxsackievirus B2 1

Data from ChEMBL 36 via Core Engine