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name Structure Reference Source Properties Activities Metabolism

Uric Acid

AlkaPlorer ID: AK010397

Synonym: None

IUPAC Name: 7,9-dihydro-3H-purine-2,6,8-trione

Structure

SMILES: OC1=NC(O)=C2N=C(O)NC2=N1

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InChI: InChI=1S/C5H4N4O3/c10-3-1-2(7-4(11)6-1)8-5(12)9-3/h(H4,6,7,8,9,10,11,12)

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InChIKey: LEHOTFFKMJEONL-UHFFFAOYSA-N

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Source

Species Genus Family Order Class Phylum Kingdom Domain
Mus musculus Mus Muridae Rodentia Mammalia Chordata Metazoa Eukaryota

Properties Information

Molecule Weight: 168.112

TPSA？: 115.15000000000002

MolLogP？: -0.5303000000000002

Number of H-Donors: 4

Number of H-Acceptors: 6

RingCount: 2

Activities Information

Organism Target Name Standard Type Standard Value Standard Units doi
Bos taurus Bos taurus Inhibition 5.0 % 10.1021/jm00062a020
Homo sapiens Guanine deaminase Ki 4340.0 nM 10.1016/j.bmc.2010.07.054
Homo sapiens Histone deacetylase 6 Inhibition 2.57 % 10.6019/CHEMBL4808148
Homo sapiens Histone deacetylase 6 Inhibition 12.1 % 10.6019/CHEMBL4808148
Homo sapiens HL-60 Activity nan None 10.1016/j.bmc.2013.10.021
Homo sapiens HL-60 Activity nan None 10.1039/C2MD20287E
Homo sapiens Solute carrier family 22 member 6 Activity nan None 10.1006/bbrc.1998.9978
Homo sapiens Solute carrier family 22 member 6 Activity nan None 10.1152/ajprenal.1999.276.1.f122
Homo sapiens Solute carrier family 22 member 6 Km 947000.0 nM 10.1046/j.1523-1755.2003.00710.x
Homo sapiens Solute carrier family 22 member 8 Activity nan None 10.1006/bbrc.1998.9978
Homo sapiens Solute carrier family 22 member 8 Activity nan None 10.1124/mol.59.5.1277
Homo sapiens Solute carrier family 22 member 8 Activity nan None 10.1159/000074539
Homo sapiens Solute carrier family 22 member 8 Ki 275000.0 nM 10.1159/000074539
Homo sapiens Solute carrier family 2, facilitated glucose transporter member 9 EC50 300000.0 nM 10.5281/zenodo.7360607
Homo sapiens Solute carrier family 2, facilitated glucose transporter member 9 EC50 nan None 10.5281/zenodo.7360607
Mus musculus Solute carrier family 22 member 8 Activity 19.9 % 10.1124/jpet.103.063370
Rattus norvegicus Liver microsome IC50 300000.0 nM 10.1016/j.bmc.2013.10.021
Rattus norvegicus Plasma Ratio 0.78 None 10.1016/j.bmcl.2008.02.038
Rattus norvegicus Rattus norvegicus Insulin release 1.65 ng/islet/h 10.1016/j.bmcl.2004.12.003
Rattus norvegicus Rattus norvegicus Insulin release 1.66 ng/islet/h 10.1016/j.bmcl.2004.12.003
Rattus norvegicus Rattus norvegicus Insulin release 1.68 ng/islet/h 10.1016/j.bmcl.2004.12.003
Rattus norvegicus Rattus norvegicus Insulin release 1.7 ng/islet/h 10.1016/j.bmcl.2004.12.003
Rattus norvegicus Rattus norvegicus pKa 5.4 None 10.1016/j.bmcl.2004.12.003
Rattus norvegicus Solute carrier family 22 member 6 Activity nan None 10.1074/jbc.272.30.18526
Rattus norvegicus Solute carrier family 22 member 6 Activity nan None 10.1074/jbc.272.48.30088
Severe acute respiratory syndrome coronavirus 2 Replicase polyprotein 1ab Inhibition 13.02 % 10.6019/CHEMBL4495564
Severe acute respiratory syndrome coronavirus 2 SARS-CoV-2 Inhibition -0.03 % 10.6019/CHEMBL4495565
Severe acute respiratory syndrome coronavirus 2 SARS-CoV-2 Inhibition 29.83 % 10.21203/rs.3.rs-23951/v1
None NON-PROTEIN TARGET Activity 0.02 None 10.1016/j.bmc.2008.09.024
None NON-PROTEIN TARGET Activity 0.72 None 10.1016/j.bmc.2008.09.024
None NON-PROTEIN TARGET K 0.0 /M/s 10.1016/j.bmcl.2014.01.045
None NON-PROTEIN TARGET K 2.31 10'6/M/s 10.1016/j.bmcl.2014.01.045
None NON-PROTEIN TARGET K 9.3 10'9/M/s 10.1016/j.bmcl.2014.01.045
None NON-PROTEIN TARGET K 10.7 10'3/M/s 10.1016/j.bmcl.2014.01.045
None NON-PROTEIN TARGET Ratio 0.0 None 10.1016/j.bmcl.2014.01.045
None NON-PROTEIN TARGET Ratio 0.894 None 10.1016/j.bmcl.2014.01.045
None NON-PROTEIN TARGET Ratio 25.7 None 10.1016/j.bmcl.2014.01.045
None NON-PROTEIN TARGET Ratio 222.0 None 10.1016/j.bmcl.2014.01.045
None NON-PROTEIN TARGET Ratio AUC 1.52 None 10.1016/j.bmcl.2008.02.038
None No relevant target K 2.3 10'7/M/s 10.1016/j.ejmech.2017.03.061
None No relevant target K 9.52 10'9/M/s 10.1016/j.ejmech.2017.03.061
None No relevant target K 9.9 10'6/M/s 10.1016/j.bmcl.2014.01.045
None No relevant target K 10.6 10'3/M/s 10.1016/j.ejmech.2017.03.061
None No relevant target K 106.0 10'5/M/s 10.1016/j.ejmech.2017.03.061
None No relevant target log KOW nan None 10.1016/j.bmc.2013.10.021
None No relevant target LogP -2.91 None 10.1021/jm00062a020
None No relevant target pKa 5.75 None 10.1021/acsmedchemlett.0c00176
None No relevant target Ratio 436.0 None 10.1016/j.bmcl.2014.01.045
None No relevant target Solubility 53.0 ug.mL-1 10.1039/C2MD20287E
None Nucleic Acid K ass 0.0 M-1 10.1021/jm9904708
None Radical scavenging activity Activity 0.63 10'3/M/s 10.1016/j.bmc.2013.10.021
None Radical scavenging activity Activity 0.7 10'3/M/s 10.1039/C2MD20287E
None Unchecked IC50 60000.0 nM 10.1016/j.bmcl.2009.11.017
None Unchecked IC50 96000.0 nM 10.1016/j.bmcl.2009.11.017
None Unchecked IC50 100000.0 nM 10.1016/j.bmcl.2011.07.054
None Unchecked IC50 101000.0 nM 10.1016/j.bmcl.2009.11.017
None Unchecked IC50 113000.0 nM 10.1016/j.bmcl.2009.11.017
None Unchecked Inhibition 0.5 % 10.1021/jm00062a020
None Unchecked Inhibition 7.0 % 10.1021/jm00062a020
None Unchecked Ki(app) nan None 10.1016/j.ejmech.2010.09.055
None Unchecked RC10 4.5 uM 10.1021/jm00062a020

Metabolism Information

AKRT ID Reaction Reaction Link ID
AKRT016344 N=c1[nH]c(=O)c2[nH]c(=O)[nH]c2[nH]1>>O=c1[nH]c(=O)c2[nH]c(=O)[nH]c2[nH]1 enzymemap_79228
AKRT021107 Nc1nc2[nH]c(=O)[nH]c2c(=O)[nH]1>>O=c1[nH]c(=O)c2[nH]c(=O)[nH]c2[nH]1 RXN-11455
AKRT023839 O=P(O)(O)OC[C@H]1O[C@H](OP(=O)(O)OP(=O)(O)O)[C@H](O)[C@@H]1O.O=c1[nH]c(=O)c2[nH]c(=O)[nH]c2[nH]1>>O=c1[nH]c2c(=O)[nH]c(=O)n([C@@H]3O[C@H](COP(=O)(O)O)[C@@H](O)[C@H]3O)c2[nH]1 enzymemap_38619
AKRT023847 O=P(O)(O)OC[C@H]1O[C@H](OP(=O)(O)OP(=O)(O)O)[C@H](O)[C@@H]1O.O=c1nc2[nH]c(=O)[nH]c2c(O)[nH]1>>O=c1[nH]c2c(=O)[nH]c(=O)n([C@@H]3O[C@H](COP(=O)(O)O)[C@@H](O)[C@H]3O)c2[nH]1 enzymemap_38619
AKRT023867 O=P(O)(O)O[C@H]1O[C@H](CO)[C@@H](O)[C@H]1O.O=c1[nH]c(=O)c2[nH]c(=O)[nH]c2[nH]1>>O=c1[nH]c(=O)c2[nH]c(=O)n(C3OC(CO)C(O)C3O)c2[nH]1 MNXR147731
AKRT023868 O=P(O)(O)O[C@H]1O[C@H](CO)[C@@H](O)[C@H]1O.O=c1[nH]c(=O)c2[nH]c(=O)[nH]c2[nH]1>>O=c1[nH]c(=O)c2[nH]c(=O)n([C@@H]3O[C@H](COP(=O)(O)O)[C@@H](O)[C@H]3O)c2[nH]1 MNXR134323
AKRT023869 O=P(O)(O)O[C@H]1O[C@H](CO)[C@@H](O)[C@H]1O.O=c1[nH]c(=O)c2[nH]c(=O)[nH]c2[nH]1>>O=c1[nH]c2c(=O)[nH]c(=O)n([C@@H]3O[C@H](CO)[C@@H](O)[C@H]3O)c2[nH]1 R02646
AKRT024105 O=c1[nH]c(=O)c2[nH]c(=O)[nH]c2[nH]1>>NC(=O)NC1NC(=O)NC1=O MNXR136544
AKRT024106 O=c1[nH]c(=O)c2[nH]c(=O)[nH]c2[nH]1>>NC(=O)N[C@H]1NC(=O)NC1=O MNXR177710
AKRT024107 O=c1[nH]c(=O)c2[nH]c(=O)[nH]c2[nH]1>>NC(N)=O MNXR103755
AKRT024108 O=c1[nH]c(=O)c2[nH]c(=O)[nH]c2[nH]1>>Nc1nc2[nH]c(=O)[nH]c2c(=O)[nH]1 RXN-11455
AKRT024109 O=c1[nH]c(=O)c2[nH]c(=O)[nH]c2[nH]1>>O=C1N=C2N=C(O)NC2(O)C(=O)N1 R02106
AKRT024110 O=c1[nH]c(=O)c2[nH]c(=O)[nH]c2[nH]1>>O=C1N=C2NC(=O)NC2(O)C(=O)N1 51532
AKRT024111 O=c1[nH]c(=O)c2[nH]c(=O)[nH]c2[nH]1>>O=C1N=C2NC(=O)N[C@@]2(O)C(=O)N1 URATE-OXIDASE-RXN
AKRT024112 O=c1[nH]c(=O)c2[nH]c(=O)[nH]c2[nH]1>>O=C1NC(=O)C(=O)C(=O)N1 MNXR103755
AKRT024113 O=c1[nH]c(=O)c2[nH]c(=O)[nH]c2[nH]1>>O=C=O MNXR136544
AKRT024114 O=c1[nH]c(=O)c2[nH]c(=O)[nH]c2[nH]1>>O=c1[nH]c(=O)c2nc[nH]c2[nH]1 RXN0-901
AKRT024115 O=c1[nH]c(=O)c2[nH]c(=O)[nH]c2[nH]1>>O=c1[nH]cnc2nc[nH]c12 MNXR130893
AKRT024116 O=c1[nH]c(=O)c2[nH]c(=O)[nH]c2[nH]1>>OC1=NCNc2nc(O)[nH]c21 MNXR177306
AKRT024118 O=c1[nH]c(=O)c2[nH]cnc2[nH]1>>O=c1[nH]c(=O)c2[nH]c(=O)[nH]c2[nH]1 R02103
AKRT024125 O=c1[nH]c(=O)c2nc[nH]c2[nH]1>>O=c1[nH]c(=O)c2[nH]c(=O)[nH]c2[nH]1 XANTHINE-OXIDASE-RXN
AKRT024150 O=c1[nH]c2[nH]cnc(=O)c2[nH]1>>O=c1[nH]c(=O)c2[nH]c(=O)[nH]c2[nH]1 RXN-8752
AKRT024151 O=c1[nH]c2c(=O)[nH]c(=O)n([C@@H]3O[C@H](CO)[C@@H](O)[C@H]3O)c2[nH]1>>O=c1[nH]c(=O)c2[nH]c(=O)[nH]c2[nH]1 R02646
AKRT024152 O=c1[nH]c2c(=O)[nH]c(=O)n([C@@H]3O[C@H](CO)[C@@H](O)[C@H]3O)c2[nH]1>>O=c1nc2[nH]c(=O)[nH]c2c(O)[nH]1 enzymemap_38536
AKRT024153 O=c1[nH]c2nc[nH]c(=O)c2[nH]1>>O=c1[nH]c(=O)c2[nH]c(=O)[nH]c2[nH]1 68028