HYDROXYUREA

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Trade Names
Synonyms
Status
Molecule Category UNKNOWN
UNII X6Q56QN5QC
EPA CompTox DTXSID6025438

Structure

InChI Key VSNHCAURESNICA-UHFFFAOYSA-N
Smiles NC(=O)NO
InChI
InChI=1S/CH4N2O2/c2-1(4)3-5/h5H,(H3,2,3,4)

Physicochemical Descriptors

Property Name Value
Molecular Formula CH4N2O2
Molecular Weight 76.05
AlogP -0.96
Hydrogen Bond Acceptor 2.0
Hydrogen Bond Donor 3.0
Number of Rotational Bond 0.0
Polar Surface Area 75.35
Molecular species NEUTRAL
Aromatic Rings 0.0
Heavy Atoms 5.0

Metabolites Network

visNetwork

Bioactivity

Mechanism of Action Action Reference
Ribonucleoside-diphosphate reductase RR1 inhibitor INHIBITOR PubMed DailyMed
Targets EC50(nM) IC50(nM) Kd(nM) Ki(nM) Inhibition(%)
Enzyme Lyase
- - - 23000 -
Transporter Electrochemical transporter SLC superfamily of solute carriers SLC21/SLCO family of organic anion transporting polypeptides
- - - - 113
Assay Description Organism Bioactivity Reference
Percent inhibition of growth of human cervical carcinoma (HeLa) cells in culture at 10 micro g/mL of the compound Homo sapiens 63.5 %
Percent inhibition of growth of human cervical carcinoma (HeLa) cells in culture at 25 micro g/mL of the compound Homo sapiens 77.0 %
Percent inhibition of growth of human cervical carcinoma (HeLa) cells in culture at 50 micro g/mL of the compound Homo sapiens 90.0 %
Percent inhibition of growth of human cervical carcinoma (HeLa) cells in culture at 5 micro g/mL of the compound Homo sapiens 34.3 %
Antileishmanial activity against Leishmania mexicana MHOM/MX/00/Tab3 infected in BALB/c mouse macrophage assessed as growth inhibition at 1 ug/ml after 6 days by hemocytometer Leishmania mexicana 96.0 %
Antileishmanial activity against Leishmania mexicana MHOM/MX/00/Tab3 infected in BALB/c mouse macrophage assessed as growth inhibition at 10 ug/ml after 6 days by hemocytometer Leishmania mexicana 100.0 %
Antileishmanial activity against Leishmania mexicana MHOM/MX/00/Tab3 infected in BALB/c mouse macrophage assessed as growth inhibition at 100 ug/ml after 6 days by hemocytometer Leishmania mexicana 100.0 %
Antileishmanial activity against Leishmania mexicana MNYC/BZ/62/M379 infected in BALB/c mouse macrophage assessed as growth inhibition at 1 ug/ml after 6 days by hemocytometer Leishmania mexicana 94.0 %
Antileishmanial activity against Leishmania mexicana MNYC/BZ/62/M379 infected in BALB/c mouse macrophage assessed as growth inhibition at 10 ug/ml after 6 days by hemocytometer Leishmania mexicana 100.0 %
Antileishmanial activity against Leishmania mexicana MNYC/BZ/62/M379 infected in BALB/c mouse macrophage assessed as growth inhibition at 100 ug/ml after 6 days by hemocytometer Leishmania mexicana 100.0 %
Antileishmanial activity against Leishmania mexicana infected in BALB/c mouse macrophage assessed as growth inhibition at 0.01 ug/ml after 3 days by hemocytometer Leishmania mexicana 44.0 %
Antileishmanial activity against Leishmania mexicana infected in BALB/c mouse macrophage assessed as growth inhibition at 0.01 ug/ml after 12 days by hemocytometer Leishmania mexicana 67.0 %
Antileishmanial activity against Leishmania mexicana infected in BALB/c mouse macrophage assessed as growth inhibition at 0.1 ug/ml after 3 days by hemocytometer Leishmania mexicana 72.0 %
Antileishmanial activity against Leishmania mexicana infected in BALB/c mouse macrophage assessed as growth inhibition at 0.1 ug/ml after 12 days by hemocytometer Leishmania mexicana 85.0 %
Antileishmanial activity against Leishmania mexicana infected in BALB/c mouse macrophage assessed as growth inhibition at 1 ug/ml after 3 days by hemocytometer Leishmania mexicana 87.0 %
Antileishmanial activity against Leishmania mexicana infected in BALB/c mouse macrophage assessed as growth inhibition at 1 ug/ml after 12 days by hemocytometer Leishmania mexicana 94.0 %
Antileishmanial activity against Leishmania mexicana infected in BALB/c mouse macrophage assessed as growth inhibition at 10 ug/ml after 3 days by hemocytometer Leishmania mexicana 93.0 %
Antileishmanial activity against Leishmania mexicana infected in BALB/c mouse macrophage assessed as growth inhibition at 10 ug/ml after 12 days by hemocytometer Leishmania mexicana 98.0 %
Inhibition of sodium fluorescein uptake in OATP1B1-transfected CHO cells at an equimolar substrate-inhibitor concentration of 10 uM Cricetulus griseus 87.55 %
Inhibition of sodium fluorescein uptake in OATP1B3-transfected CHO cells at an equimolar substrate-inhibitor concentration of 10 uM Cricetulus griseus 113.37 %
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 5.93 %
SARS-CoV-2 3CL-Pro protease inhibition percentage at 20µM by FRET kind of response from peptide substrate Severe acute respiratory syndrome coronavirus 2 32.2 %
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 0.09 % 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 0.09 %

Cross References

Resources Reference
ChEBI 44423
ChEMBL CHEMBL467
DrugBank DB01005
DrugCentral 1399
FDA SRS X6Q56QN5QC
Human Metabolome Database HMDB0015140
Guide to Pharmacology 6822
KEGG C07044
PDB NHY
PharmGKB PA449942
PubChem 3657
SureChEMBL SCHEMBL4004
ZINC ZINC000008034120
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