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Compound Detail

CHEMBL1940472

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CC(C)c1nc2c(Cl)c3ncccc3cc2[nH]c1=O
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL1940472
Phase Preclinical
Structure Type MOL
InChI Key YVLHHQVCPCBZRW-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
20
Publications
0
Known Names

Molecular Properties

273.7
MW (Da)
3.25
ALogP
3
HBA
1
HBD
58.6
PSA (Ų)
0.69
QED
0
Ro5 Violations
1
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C14H12ClN3O
MW 273.72
Aromatic Rings 3
Heavy Atoms 19
NP-Likeness -0.58

Activity Summary

EC50 1 meas. best 4.0

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
NON-PROTEIN TARGET
CHEMBL3879801
 EC50 4.0 4.0 100000.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
NON-PROTEIN TARGET EC50 = 100000.0 nM 4.0 Antiviral activity against Bovine viral diarrhea virus 1-NADL infected in MDBK c... 22047799

Literature References

PubMed DOI Target Context # Activities
26479028 10.1016/j.ejmech.2015.10.002 ADMET 3
22047799 10.1016/j.bmc.2011.10.009 NON-PROTEIN TARGET 2
22047799 10.1016/j.bmc.2011.10.009 Human orthopneumovirus 1
27161176 10.1016/j.ejmech.2016.03.080 NON-PROTEIN TARGET 1
26479028 10.1016/j.ejmech.2015.10.002 Coxsackievirus B5 1
26479028 10.1016/j.ejmech.2015.10.002 NON-PROTEIN TARGET 1
26479028 10.1016/j.ejmech.2015.10.002 Yellow fever virus 1
26479028 10.1016/j.ejmech.2015.10.002 Bovine viral diarrhea virus 1 1
26479028 10.1016/j.ejmech.2015.10.002 MT4 1
26479028 10.1016/j.ejmech.2015.10.002 Human immunodeficiency virus 1 1
22047799 10.1016/j.bmc.2011.10.009 Human alphaherpesvirus 1 1
22047799 10.1016/j.bmc.2011.10.009 Vesicular stomatitis Indiana virus 1
22047799 10.1016/j.bmc.2011.10.009 MT4 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

Data from ChEMBL 36 via Core Engine