URACIL

/static/temp/default.svg Search structure
Synonyms
Status
Molecule Category UNKNOWN
UNII 56HH86ZVCT
EPA CompTox DTXSID4021424

Structure

InChI Key ISAKRJDGNUQOIC-UHFFFAOYSA-N
Smiles O=c1cc[nH]c(=O)[nH]1
InChI
InChI=1S/C4H4N2O2/c7-3-1-2-5-4(8)6-3/h1-2H,(H2,5,6,7,8)

Physicochemical Descriptors

Property Name Value
Molecular Formula C4H4N2O2
Molecular Weight 112.09
AlogP -0.94
Hydrogen Bond Acceptor 2.0
Hydrogen Bond Donor 2.0
Number of Rotational Bond 0.0
Polar Surface Area 65.72
Molecular species NEUTRAL
Aromatic Rings 1.0
Heavy Atoms 8.0
Assay Description Organism Bioactivity Reference
Antiviral activity against Influenza A virus H5N1 Vietnam/1203/2004H infected in MDCK cells Influenza A virus (A/Viet Nam/1203/2004(H5N1)) 25.0 ug.mL-1
Antiviral activity against Influenza B virus Florida/4/2006 infected in MDCK cells Influenza B virus (B/Florida/4/2006) 34.0 ug.mL-1
Cytotoxicity against MDCK cells Canis lupus familiaris 100.0 ug.mL-1
Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging Homo sapiens 3.18 %
Inhibition of Streptococcus pyogenes SrtA deltaN81 mutant expressed in Escherichia coli BL21(DE3) at 100 uM using Abz-LPETA-Dap(Dnp) as substrate preincubated for 10 mins followed by substrate addition measured every min for 2.5 hrs by fluorimetric assay relative to control Streptococcus pyogenes 2.7 %
SARS-CoV-2 3CL-Pro protease inhibition percentage at 20µM by FRET kind of response from peptide substrate Severe acute respiratory syndrome coronavirus 2 30.84 % SARS-CoV-2 3CL-Pro protease inhibition percentage at 20µM by FRET kind of response from peptide substrate Severe acute respiratory syndrome coronavirus 2 4.11 %
Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging Chlorocebus sabaeus -0.17 % Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging Chlorocebus sabaeus -0.23 % Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging Chlorocebus sabaeus -0.23 % Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging Chlorocebus sabaeus -0.17 %

Cross References

Resources Reference
ChEBI 17568
ChEMBL CHEMBL566
DrugBank DB03419
FDA SRS 56HH86ZVCT
Human Metabolome Database HMDB0000300
Guide to Pharmacology 4560
KEGG C00106
PDB URA
PubChem 1174
SureChEMBL SCHEMBL8235
ZINC ZINC000000895045
CONTENTS