Natural Product: NPC5707

Natural Product ID:  NPC5707
Common Name:   Uric Acid
IUPAC Name:   7,9-dihydro-3H-purine-2,6,8-trione
Synonyms:   Uric Acid
Molecular Formula:   C5H4N4O3
Standard InCHIKey:  LEHOTFFKMJEONL-UHFFFAOYSA-N
Standard 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)
Canonical SMILES:  Oc1nc(O)c2c(n1)[nH]c(n2)O
First Find Year:  
Max Developmental Stage:  
Synthetic Gene Cluster:   ;

  Species Source

Organism ID Organism Name Taxonomy Level Family SuperKingdom Isolation Part Collection Location Collection Time Reference
NPO1797 Homo sapiens Species Hominidae Eukaryota DOI[10.1038/nbt.2488]
NPO1797 Homo sapiens Species Hominidae Eukaryota blood serum PMID[25518943]
NPO1797 Homo sapiens Species Hominidae Eukaryota urine PMID[24023812]
NPO1797 Homo sapiens Species Hominidae Eukaryota saliva PMID[12535838]
NPO1797 Homo sapiens Species Hominidae Eukaryota bile PMID[11887176]
NPO1797 Homo sapiens Species Hominidae Eukaryota cerebrospinal fluid PMID[18953024]
NPO1797 Homo sapiens Species Hominidae Eukaryota amniotic fluid PMID[16139832]
NPO1797 Homo sapiens Species Hominidae Eukaryota blood PMID[11887176]
NPO20338 Mus musculus Species Muridae Eukaryota PMID[19425150]
NPO730 Escherichia coli Species Enterobacteriaceae Bacteria PMID[21988831]
NPO29703 Abri herba NA NA NA TCMSP*
NPO236 Sojae semen nigrum NA NA NA TCMSP*

  Biological Activity

Target ID Target Type Target Name Target Organism Activity Type Activity Relation Value Unit Reference
NPT875 Organism Bos taurus Bos taurus Inhibition = 5 % 8496914
NPT2 Others Unspecified Inhibition = 7 % 8496914
NPT2 Others Unspecified Inhibition = 0.5 % 8496914
NPT614 Tissue Plasma Rattus norvegicus Ratio = 0.78 18314329
NPT2 Others Unspecified Activity = 0.72 18819812
NPT2 Others Unspecified Activity = 0.02 18819812
NPT2 Others Unspecified IC50 = 113000 nM 20004571
NPT2 Others Unspecified IC50 = 96000 nM 20004571
NPT2 Others Unspecified IC50 = 60000 nM 20004571
NPT2 Others Unspecified IC50 = 101000 nM 20004571
NPT876 Individual Protein Guanine deaminase Homo sapiens Ki = 4340 nM 20716488
NPT2 Others Unspecified IC50 = 100000 nM 21840216
NPT669 Individual Protein Solute carrier family 22 member 8 Homo sapiens Ki = 275000 nM 14586168
NPT877 Individual Protein Solute carrier family 22 member 8 Mus musculus Activity = 19.9 % 14762099
NPT587 Tissue Liver microsome Rattus norvegicus IC50 > 300000 nM 24216095
NPT1 Others Radical scavenging activity Activity = 0.63 10'3/M/s 24216095
NPT2 Others Unspecified Ratio = 0 24507926
NPT2 Others Unspecified Ratio = 25.7 24507926
NPT35 Others n.a. Ratio = 436 24507926
NPT2 Others Unspecified Ratio = 222 24507926
NPT2 Others Unspecified Ratio = 0.894 24507926
NPT1 Others Radical scavenging activity Activity = 0.7 10'3/M/s 10.1039/C2MD20287E

  Similar Natural Products in NPASS

Similarity level is defined by Tanimoto coefficient (Tc) between two molecules. Tc lies between [0, 1] where '1' indicates the highest similarity. What is Tanimoto coefficient

●  The left chart: Distribution of similarity level between NPC5707 and all remaining natural products in the NPASS database.
●  The right table: Most similar natural products (Tc>=0.56 or Top200).

Similarity Score Similarity Level Natural Product ID
0.925 High Similarity NPC287876
0.9167 High Similarity NPC14330
0.8739 High Similarity NPC139776
0.8525 High Similarity NPC248007
0.7899 Intermediate Similarity NPC312187
0.7899 Intermediate Similarity NPC4837
0.7719 Intermediate Similarity NPC320256
0.7479 Intermediate Similarity NPC476564
0.7368 Intermediate Similarity NPC246193
0.7333 Intermediate Similarity NPC18335
0.7007 Intermediate Similarity NPC57279
0.7 Intermediate Similarity NPC293163
0.6967 Remote Similarity NPC59314
0.6933 Remote Similarity NPC52238
0.6911 Remote Similarity NPC476562
0.6887 Remote Similarity NPC313754
0.6887 Remote Similarity NPC54320
0.6887 Remote Similarity NPC311197
0.6803 Remote Similarity NPC87981
0.6803 Remote Similarity NPC174114
0.6718 Remote Similarity NPC189314
0.6718 Remote Similarity NPC68938
0.6667 Remote Similarity NPC41958
0.6582 Remote Similarity NPC261595
0.6541 Remote Similarity NPC321458
0.6541 Remote Similarity NPC324033
0.6489 Remote Similarity NPC313547
0.648 Remote Similarity NPC476561
0.6383 Remote Similarity NPC104011
0.6327 Remote Similarity NPC317821
0.6303 Remote Similarity NPC164845
0.6299 Remote Similarity NPC10466
0.6296 Remote Similarity NPC158847
0.6259 Remote Similarity NPC129756
0.625 Remote Similarity NPC476099
0.6241 Remote Similarity NPC199790
0.6225 Remote Similarity NPC164665
0.6222 Remote Similarity NPC240084
0.6207 Remote Similarity NPC321929
0.619 Remote Similarity NPC33996
0.6169 Remote Similarity NPC150853
0.6159 Remote Similarity NPC107374
0.6159 Remote Similarity NPC21448
0.6159 Remote Similarity NPC156461
0.6133 Remote Similarity NPC229974
0.6118 Remote Similarity NPC189068
0.6107 Remote Similarity NPC209525
0.6107 Remote Similarity NPC161659
0.6078 Remote Similarity NPC219313
0.6078 Remote Similarity NPC309832
0.6078 Remote Similarity NPC269827
0.6077 Remote Similarity NPC119133
0.6026 Remote Similarity NPC314152
0.6014 Remote Similarity NPC327579
0.6 Remote Similarity NPC136349
0.5924 Remote Similarity NPC185991
0.5924 Remote Similarity NPC211025
0.5924 Remote Similarity NPC85689
0.5912 Remote Similarity NPC248627
0.5886 Remote Similarity NPC472816
0.5886 Remote Similarity NPC328479
0.5886 Remote Similarity NPC321814
0.587 Remote Similarity NPC278549
0.5858 Remote Similarity NPC313897
0.5854 Remote Similarity NPC290449
0.5849 Remote Similarity NPC212551
0.5849 Remote Similarity NPC302778
0.5849 Remote Similarity NPC164952
0.5849 Remote Similarity NPC130586
0.5846 Remote Similarity NPC75844
0.5839 Remote Similarity NPC148385
0.5839 Remote Similarity NPC239737
0.5833 Remote Similarity NPC121222
0.5833 Remote Similarity NPC163105
0.5813 Remote Similarity NPC174802
0.5802 Remote Similarity NPC195140
0.5786 Remote Similarity NPC252603
0.5776 Remote Similarity NPC224076
0.5746 Remote Similarity NPC27699
0.5741 Remote Similarity NPC226245
0.5741 Remote Similarity NPC316618
0.5741 Remote Similarity NPC93365
0.5725 Remote Similarity NPC63433
0.5723 Remote Similarity NPC161224
0.5706 Remote Similarity NPC313514
0.5687 Remote Similarity NPC207633
0.5669 Remote Similarity NPC51000
0.5662 Remote Similarity NPC329046
0.5638 Remote Similarity NPC324009
0.56 Remote Similarity NPC319221

  Similar Clinical/Approved Drugs

Similarity level is defined by Tanimoto coefficient (Tc) between two molecules.

●  The left chart: Distribution of similarity level between NPC5707 and all drugs/candidates.
●  The right table: Most similar clinical/approved drugs (Tc>=0.56 or Top200).

Similarity Score Similarity Level Drug ID Developmental Stage
1.0 High Similarity NPD8830 Phase 3
0.925 High Similarity NPD8829 Clinical (unspecified phase)
0.8871 High Similarity NPD9083 Clinical (unspecified phase)
0.8525 High Similarity NPD9084 Phase 2
0.7376 Intermediate Similarity NPD1730 Discontinued
0.7333 Intermediate Similarity NPD8836 Approved
0.7027 Intermediate Similarity NPD213 Clinical (unspecified phase)
0.7027 Intermediate Similarity NPD214 Approved
0.6967 Remote Similarity NPD8837 Clinical (unspecified phase)
0.6887 Remote Similarity NPD217 Approved
0.6887 Remote Similarity NPD220 Clinical (unspecified phase)
0.6887 Remote Similarity NPD218 Approved
0.6887 Remote Similarity NPD219 Phase 3
0.6887 Remote Similarity NPD216 Approved
0.6718 Remote Similarity NPD8831 Approved
0.6718 Remote Similarity NPD8833 Approved
0.6582 Remote Similarity NPD247 Clinical (unspecified phase)
0.6569 Remote Similarity NPD9408 Phase 3
0.6475 Remote Similarity NPD870 Clinical (unspecified phase)
0.6434 Remote Similarity NPD9484 Clinical (unspecified phase)
0.6429 Remote Similarity NPD9633 Phase 3
0.6418 Remote Similarity NPD237 Clinical (unspecified phase)
0.6418 Remote Similarity NPD9360 Approved
0.6383 Remote Similarity NPD248 Discontinued
0.6336 Remote Similarity NPD9375 Discontinued
0.6286 Remote Similarity NPD9366 Approved
0.6233 Remote Similarity NPD9551 Approved
0.6233 Remote Similarity NPD9550 Approved
0.6207 Remote Similarity NPD8827 Approved
0.6194 Remote Similarity NPD9374 Approved
0.6167 Remote Similarity NPD9102 Approved
0.6167 Remote Similarity NPD9103 Approved
0.6159 Remote Similarity NPD249 Approved
0.6159 Remote Similarity NPD250 Approved
0.6084 Remote Similarity NPD9571 Approved
0.6078 Remote Similarity NPD195 Approved
0.6078 Remote Similarity NPD186 Discovery
0.6077 Remote Similarity NPD9291 Approved
0.6045 Remote Similarity NPD9373 Approved
0.6026 Remote Similarity NPD185 Approved
0.6014 Remote Similarity NPD9607 Approved
0.6014 Remote Similarity NPD307 Approved
0.6 Remote Similarity NPD548 Clinical (unspecified phase)
0.6 Remote Similarity NPD193 Suspended
0.5971 Remote Similarity NPD9409 Discontinued
0.5962 Remote Similarity NPD3708 Phase 2
0.5949 Remote Similarity NPD1750 Clinical (unspecified phase)
0.5949 Remote Similarity NPD1369 Phase 2
0.5948 Remote Similarity NPD166 Approved
0.5942 Remote Similarity NPD9606 Approved
0.5938 Remote Similarity NPD2624 Phase 2
0.5924 Remote Similarity NPD283 Approved
0.5909 Remote Similarity NPD4054 Clinical (unspecified phase)
0.5894 Remote Similarity NPD3695 Approved
0.5894 Remote Similarity NPD3696 Approved
0.5882 Remote Similarity NPD9704 Approved
0.5849 Remote Similarity NPD242 Approved
0.5849 Remote Similarity NPD338 Approved
0.5849 Remote Similarity NPD3107 Discontinued
0.5846 Remote Similarity NPD8566 Approved
0.5844 Remote Similarity NPD7158 Phase 1
0.5839 Remote Similarity NPD2646 Discontinued
0.5839 Remote Similarity NPD1732 Phase 3
0.5828 Remote Similarity NPD516 Clinical (unspecified phase)
0.5813 Remote Similarity NPD339 Approved
0.5811 Remote Similarity NPD209 Clinical (unspecified phase)
0.5786 Remote Similarity NPD9292 Approved
0.5786 Remote Similarity NPD9288 Approved
0.5786 Remote Similarity NPD9289 Approved
0.5786 Remote Similarity NPD76 Approved
0.5779 Remote Similarity NPD4240 Approved
0.5776 Remote Similarity NPD169 Phase 2
0.5758 Remote Similarity NPD9626 Clinical (unspecified phase)
0.5746 Remote Similarity NPD9071 Phase 3
0.5746 Remote Similarity NPD8571 Phase 3
0.5742 Remote Similarity NPD171 Discontinued
0.5741 Remote Similarity NPD546 Clinical (unspecified phase)
0.5724 Remote Similarity NPD515 Phase 1
0.5724 Remote Similarity NPD8826 Approved
0.5706 Remote Similarity NPD7138 Phase 2
0.5669 Remote Similarity NPD8838 Approved
0.5608 Remote Similarity NPD796 Phase 2
0.56 Remote Similarity NPD1058 Discontinued

Structure

External Identifiers

PubChem CID   1175
ChEMBL   CHEMBL792
ZINC  

Physicochemical Properties

Molecular Weight:  168.03
ALogP:  -1.8013
MLogP:  1.24
XLogP:  -1.533
# Rotatable Bonds:  3
Polar Surface Area:  115.15
# H-Bond Aceptor:  4
# H-Bond Donor:  4
# Rings:  2
# Heavy Atoms:  12

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Similar NPs/Drugs