Natural Product: NPC262926

Natural Product ID:  NPC262926
Common Name:   Deoxyguanosine
IUPAC Name:   2-amino-9-[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-3H-purin-6-one
Synonyms:   2'-Deoxyguanosine; Deoxyguanosine
Molecular Formula:   C10H13N5O4
Standard InCHIKey:  YKBGVTZYEHREMT-KVQBGUIXSA-N
Standard InCHI:  InChI=1S/C10H13N5O4/c11-10-13-8-7(9(18)14-10)12-3-15(8)6-1-4(17)5(2-16)19-6/h3-6,16-17H,1-2H2,(H3,11,13,14,18)/t4-,5+,6+/m0/s1
Canonical SMILES:  OC[C@H]1O[C@H](C[C@@H]1O)n1cnc2c1[nH]c(=N)nc2O
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
NPO25269 Ganoderma lucidum Species Ganodermataceae Eukaryota TM-MC*
NPO16609 Ganoderma sinense Species Ganodermataceae Eukaryota TM-MC*
NPO26293 Ginkgo biloba Species Ginkgoaceae Eukaryota TM-MC*
NPO25114 Linum usitatissimum Species Linaceae Eukaryota TM-MC*
NPO30675 Vibrio harveyi Species Vibrionaceae Bacteria PMID[25668560]
NPO1797 Homo sapiens Species Hominidae Eukaryota DOI[10.1038/nbt.2488]
NPO1797 Homo sapiens Species Hominidae Eukaryota saliva PMID[22308371]
NPO1797 Homo sapiens Species Hominidae Eukaryota blood PMID[16131572]
NPO1797 Homo sapiens Species Hominidae Eukaryota urine PMID[16613999]
NPO20338 Mus musculus Species Muridae Eukaryota PMID[19425150]
NPO730 Escherichia coli Species Enterobacteriaceae Bacteria PMID[21988831]
NPO2438 Euryale ferox Species Nymphaeaceae Eukaryota TM-MC*

  Biological Activity

Target ID Target Type Target Name Target Organism Activity Type Activity Relation Value Unit Reference
NPT190 Organism Human herpesvirus 1 Human herpesvirus 1 ED50 = 55 ug/ml 9216836
NPT1141 Organism Human herpesvirus 2 Human herpesvirus 2 ED50 = 78 ug/ml 9216836
NPT1749 Organism Human herpesvirus 3 Human herpesvirus 3 ED50 = 10.1 ug/ml 9216836
NPT1750 Organism Human herpesvirus 5 Human herpesvirus 5 ED50 = 16.8 ug/ml 9216836
NPT1353 Cell Line CCRF-HSB-2 Homo sapiens IC50 = 2.8 ug/ml 9216836
NPT1755 Individual Protein Thymidine kinase, cytosolic Homo sapiens ID50 = 0.3 nM 1331461
NPT2813 Cell Line Friend leukemia cell line ID50 = 0.29 nM 3861870
NPT116 Cell Line HL-60 Homo sapiens ID50 = 0.49 nM 3861870
NPT1755 Individual Protein Thymidine kinase, cytosolic Homo sapiens IC50 = 364000 nM 12213066
NPT1755 Individual Protein Thymidine kinase, cytosolic Homo sapiens IC50 = 115000 nM 12213066
NPT24 Organism Human immunodeficiency virus 1 Human immunodeficiency virus 1 ED50 = 0.158 nM 3172142
NPT25 Cell Line MT4 Homo sapiens CD50 > 0.5 nM 3172142
NPT3560 Individual Protein Deoxycytidine kinase Homo sapiens Ratio = 0.0138 /s/microM 18570408
NPT3560 Individual Protein Deoxycytidine kinase Homo sapiens Ratio = 0.0129 /s/microM 18570408
NPT2 Others Unspecified Ratio = 0.0051 /s/microM 18570408
NPT2 Others Unspecified Ratio = 0.0413 /s/microM 18570408
NPT2 Others Unspecified Potency = 11582.1 nM PubChem BioAssay data set
NPT51 Individual Protein Microtubule-associated protein tau Homo sapiens Potency = 501.2 nM PubChem BioAssay data set
NPT2 Others Unspecified Potency = 25118.9 nM PubChem BioAssay data set
NPT2 Others Unspecified Potency 20596.2 nM PubChem BioAssay data set
NPT64 Individual Protein ATPase family AAA domain-containing protein 5 Homo sapiens Potency 20587.8 nM PubChem BioAssay data set
NPT2 Others Unspecified Potency 6513.1 nM PubChem BioAssay data set
NPT2 Others Unspecified Potency 5804.8 nM PubChem BioAssay data set
NPT2 Others Unspecified Potency 3981.1 nM PubChem BioAssay data set
NPT2 Others Unspecified Potency 6309.6 nM PubChem BioAssay data set
NPT2 Others Unspecified Potency 10322.5 nM PubChem BioAssay data set
NPT861 Individual Protein Isocitrate dehydrogenase [NADP] cytoplasmic Homo sapiens Potency 29092.9 nM PubChem BioAssay data set
NPT73 Individual Protein Solute carrier organic anion transporter family member 1B1 Homo sapiens Inhibition = 85.51 % 23571415
NPT72 Individual Protein Solute carrier organic anion transporter family member 1B3 Homo sapiens Inhibition = 90.97 % 23571415
NPT2 Others Unspecified Potency 22387.2 nM PubChem BioAssay data set
NPT2 Others Unspecified Potency 15848.9 nM PubChem BioAssay data set
NPT839 Cell Line L6 Rattus norvegicus IC50 > 250000 nM 10.1039/C3MD00159H
NPT941 Cell Line HaCaT Homo sapiens IC50 > 250000 nM 10.1039/C3MD00159H
NPT76 Cell Line C6 Rattus norvegicus IC50 > 250000 nM 10.1039/C3MD00159H
NPT90 Cell Line DU-145 Homo sapiens IC50 > 250000 nM 10.1039/C3MD00159H
NPT83 Cell Line MCF7 Homo sapiens IC50 > 250000 nM 10.1039/C3MD00159H
NPT1291 Individual Protein Purine nucleoside phosphorylase Homo sapiens Activity = 65 % 31484

  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 NPC262926 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
0.9919 High Similarity NPC61198
0.9677 High Similarity NPC324009
0.96 High Similarity NPC319221
0.9535 High Similarity NPC186619
0.9389 High Similarity NPC211820
0.9389 High Similarity NPC251233
0.9389 High Similarity NPC318590
0.9318 High Similarity NPC89147
0.9318 High Similarity NPC274384
0.9318 High Similarity NPC177169
0.9318 High Similarity NPC317746
0.9248 High Similarity NPC64705
0.9248 High Similarity NPC232408
0.9147 High Similarity NPC320818
0.9008 High Similarity NPC30326
0.8862 High Similarity NPC327579
0.8741 High Similarity NPC74306
0.8741 High Similarity NPC315642
0.8367 Intermediate Similarity NPC14590
0.8214 Intermediate Similarity NPC21448
0.8214 Intermediate Similarity NPC107374
0.8214 Intermediate Similarity NPC156461
0.8156 Intermediate Similarity NPC164665
0.8156 Intermediate Similarity NPC189068
0.8099 Intermediate Similarity NPC219313
0.8099 Intermediate Similarity NPC309832
0.8099 Intermediate Similarity NPC269827
0.8071 Intermediate Similarity NPC229974
0.8058 Intermediate Similarity NPC161659
0.8058 Intermediate Similarity NPC209525
0.7945 Intermediate Similarity NPC321052
0.7943 Intermediate Similarity NPC314152
0.7929 Intermediate Similarity NPC317821
0.7905 Intermediate Similarity NPC52238
0.7877 Intermediate Similarity NPC85689
0.7877 Intermediate Similarity NPC185991
0.7877 Intermediate Similarity NPC211025
0.7852 Intermediate Similarity NPC54320
0.7852 Intermediate Similarity NPC313754
0.7852 Intermediate Similarity NPC311197
0.7823 Intermediate Similarity NPC321814
0.7823 Intermediate Similarity NPC472816
0.7793 Intermediate Similarity NPC121222
0.777 Intermediate Similarity NPC302778
0.777 Intermediate Similarity NPC212551
0.777 Intermediate Similarity NPC164952
0.777 Intermediate Similarity NPC130586
0.7733 Intermediate Similarity NPC239737
0.7718 Intermediate Similarity NPC174802
0.7687 Intermediate Similarity NPC326694
0.7687 Intermediate Similarity NPC150853
0.7667 Intermediate Similarity NPC224076
0.7635 Intermediate Similarity NPC161224
0.7616 Intermediate Similarity NPC316618
0.7616 Intermediate Similarity NPC226245
0.7584 Intermediate Similarity NPC207633
0.75 Intermediate Similarity NPC261595
0.75 Intermediate Similarity NPC136349
0.7483 Intermediate Similarity NPC129756
0.7452 Intermediate Similarity NPC324033
0.7452 Intermediate Similarity NPC321458
0.7372 Intermediate Similarity NPC323091
0.7351 Intermediate Similarity NPC328479
0.7328 Intermediate Similarity NPC313547
0.7226 Intermediate Similarity NPC195140
0.7172 Intermediate Similarity NPC33996
0.7165 Intermediate Similarity NPC59314
0.7073 Intermediate Similarity NPC189261
0.7054 Intermediate Similarity NPC119133
0.7012 Intermediate Similarity NPC326529
0.7 Intermediate Similarity NPC324484
0.6992 Remote Similarity NPC41958
0.6975 Remote Similarity NPC290959
0.6975 Remote Similarity NPC326082
0.697 Remote Similarity NPC324198
0.697 Remote Similarity NPC319100
0.6957 Remote Similarity NPC325906
0.6943 Remote Similarity NPC93365
0.6929 Remote Similarity NPC293163
0.6807 Remote Similarity NPC313897
0.6769 Remote Similarity NPC10466
0.6765 Remote Similarity NPC63433
0.6641 Remote Similarity NPC320256
0.6609 Remote Similarity NPC313514
0.6527 Remote Similarity NPC222174
0.6437 Remote Similarity NPC24589
0.642 Remote Similarity NPC78941
0.642 Remote Similarity NPC282458
0.6402 Remote Similarity NPC321393
0.6347 Remote Similarity NPC33382
0.6312 Remote Similarity NPC240084
0.631 Remote Similarity NPC125659
0.631 Remote Similarity NPC168702
0.6259 Remote Similarity NPC180462
0.6139 Remote Similarity NPC174020
0.6117 Remote Similarity NPC157821
0.6096 Remote Similarity NPC276373
0.6064 Remote Similarity NPC5802
0.6054 Remote Similarity NPC109322
0.6053 Remote Similarity NPC57279
0.601 Remote Similarity NPC250178
0.6 Remote Similarity NPC470141
0.6 Remote Similarity NPC60537
0.5956 Remote Similarity NPC476561
0.5933 Remote Similarity NPC144223
0.5924 Remote Similarity NPC210947
0.5921 Remote Similarity NPC287876
0.5909 Remote Similarity NPC51000
0.5906 Remote Similarity NPC248007
0.5886 Remote Similarity NPC185903
0.5882 Remote Similarity NPC470138
0.5874 Remote Similarity NPC327613
0.5864 Remote Similarity NPC103388
0.5855 Remote Similarity NPC14330
0.5833 Remote Similarity NPC470140
0.5823 Remote Similarity NPC470139
0.5817 Remote Similarity NPC246193
0.5813 Remote Similarity NPC8590
0.5802 Remote Similarity NPC327477
0.58 Remote Similarity NPC180493
0.5786 Remote Similarity NPC286696
0.5779 Remote Similarity NPC235501
0.5775 Remote Similarity NPC47936
0.5769 Remote Similarity NPC126634
0.5755 Remote Similarity NPC476099
0.5753 Remote Similarity NPC278549
0.5728 Remote Similarity NPC107160
0.5725 Remote Similarity NPC273327
0.5721 Remote Similarity NPC21461
0.5714 Remote Similarity NPC104011
0.5705 Remote Similarity NPC139776
0.5705 Remote Similarity NPC470142
0.5696 Remote Similarity NPC237812
0.5696 Remote Similarity NPC18223
0.5677 Remote Similarity NPC25465
0.5643 Remote Similarity NPC476562

  Similar Clinical/Approved Drugs

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

●  The left chart: Distribution of similarity level between NPC262926 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
0.9919 High Similarity NPD252 Clinical (unspecified phase)
0.968 High Similarity NPD194 Clinical (unspecified phase)
0.9516 High Similarity NPD9632 Phase 3
0.9457 High Similarity NPD549 Approved
0.8913 High Similarity NPD3086 Phase 3
0.8862 High Similarity NPD9607 Approved
0.8841 High Similarity NPD3085 Phase 1
0.878 High Similarity NPD9606 Approved
0.8741 High Similarity NPD582 Approved
0.8561 High Similarity NPD209 Clinical (unspecified phase)
0.8542 High Similarity NPD4074 Clinical (unspecified phase)
0.8537 High Similarity NPD9374 Approved
0.8413 Intermediate Similarity NPD307 Approved
0.8374 Intermediate Similarity NPD9373 Approved
0.8346 Intermediate Similarity NPD545 Clinical (unspecified phase)
0.8214 Intermediate Similarity NPD249 Approved
0.8214 Intermediate Similarity NPD250 Approved
0.8209 Intermediate Similarity NPD547 Clinical (unspecified phase)
0.8194 Intermediate Similarity NPD536 Clinical (unspecified phase)
0.8099 Intermediate Similarity NPD195 Approved
0.8099 Intermediate Similarity NPD186 Discovery
0.8 Intermediate Similarity NPD1431 Approved
0.8 Intermediate Similarity NPD1430 Approved
0.7943 Intermediate Similarity NPD185 Approved
0.7923 Intermediate Similarity NPD9409 Discontinued
0.7917 Intermediate Similarity NPD775 Approved
0.7891 Intermediate Similarity NPD1369 Phase 2
0.7891 Intermediate Similarity NPD1750 Clinical (unspecified phase)
0.7877 Intermediate Similarity NPD283 Approved
0.7857 Intermediate Similarity NPD9375 Discontinued
0.7852 Intermediate Similarity NPD218 Approved
0.7852 Intermediate Similarity NPD2624 Phase 2
0.7852 Intermediate Similarity NPD216 Approved
0.7852 Intermediate Similarity NPD217 Approved
0.7852 Intermediate Similarity NPD220 Clinical (unspecified phase)
0.7852 Intermediate Similarity NPD219 Phase 3
0.7832 Intermediate Similarity NPD166 Approved
0.7801 Intermediate Similarity NPD193 Suspended
0.777 Intermediate Similarity NPD338 Approved
0.777 Intermediate Similarity NPD242 Approved
0.777 Intermediate Similarity NPD213 Clinical (unspecified phase)
0.777 Intermediate Similarity NPD214 Approved
0.777 Intermediate Similarity NPD3107 Discontinued
0.7733 Intermediate Similarity NPD2646 Discontinued
0.7733 Intermediate Similarity NPD1732 Phase 3
0.7718 Intermediate Similarity NPD339 Approved
0.7667 Intermediate Similarity NPD169 Phase 2
0.766 Intermediate Similarity NPD1808 Phase 1
0.7643 Intermediate Similarity NPD1120 Approved
0.7643 Intermediate Similarity NPD1121 Approved
0.7635 Intermediate Similarity NPD353 Discontinued
0.7574 Intermediate Similarity NPD515 Phase 1
0.75 Intermediate Similarity NPD247 Clinical (unspecified phase)
0.75 Intermediate Similarity NPD548 Clinical (unspecified phase)
0.7405 Intermediate Similarity NPD9584 Phase 2
0.7368 Intermediate Similarity NPD9360 Approved
0.7351 Intermediate Similarity NPD9605 Phase 3
0.7256 Intermediate Similarity NPD4716 Approved
0.7239 Intermediate Similarity NPD237 Clinical (unspecified phase)
0.7233 Intermediate Similarity NPD2647 Phase 3
0.7212 Intermediate Similarity NPD4744 Clinical (unspecified phase)
0.7171 Intermediate Similarity NPD7842 Phase 2
0.7165 Intermediate Similarity NPD8837 Clinical (unspecified phase)
0.7117 Intermediate Similarity NPD5666 Phase 2
0.7109 Intermediate Similarity NPD9626 Clinical (unspecified phase)
0.7101 Intermediate Similarity NPD798 Discontinued
0.7063 Intermediate Similarity NPD7988 Suspended
0.7054 Intermediate Similarity NPD9291 Approved
0.7042 Intermediate Similarity NPD248 Discontinued
0.7024 Intermediate Similarity NPD1692 Approved
0.7 Intermediate Similarity NPD1816 Clinical (unspecified phase)
0.697 Remote Similarity NPD4171 Clinical (unspecified phase)
0.6959 Remote Similarity NPD2152 Clinical (unspecified phase)
0.6957 Remote Similarity NPD1776 Approved
0.6957 Remote Similarity NPD1777 Approved
0.6943 Remote Similarity NPD546 Clinical (unspecified phase)
0.6928 Remote Similarity NPD1412 Clinical (unspecified phase)
0.6901 Remote Similarity NPD870 Clinical (unspecified phase)
0.6813 Remote Similarity NPD516 Clinical (unspecified phase)
0.677 Remote Similarity NPD3083 Approved
0.6744 Remote Similarity NPD5684 Clinical (unspecified phase)
0.6744 Remote Similarity NPD5682 Phase 3
0.6744 Remote Similarity NPD6417 Clinical (unspecified phase)
0.6744 Remote Similarity NPD5683 Clinical (unspecified phase)
0.6692 Remote Similarity NPD9417 Phase 3
0.6692 Remote Similarity NPD9416 Phase 3
0.6667 Remote Similarity NPD2630 Approved
0.6667 Remote Similarity NPD2632 Approved
0.6667 Remote Similarity NPD2631 Clinical (unspecified phase)
0.6667 Remote Similarity NPD1368 Approved
0.6629 Remote Similarity NPD4054 Clinical (unspecified phase)
0.6609 Remote Similarity NPD7138 Phase 2
0.6531 Remote Similarity NPD282 Approved
0.651 Remote Similarity NPD1119 Phase 2
0.6456 Remote Similarity NPD3708 Phase 2
0.6438 Remote Similarity NPD1355 Clinical (unspecified phase)
0.6438 Remote Similarity NPD1356 Approved
0.6438 Remote Similarity NPD1354 Approved
0.6395 Remote Similarity NPD9633 Phase 3
0.6369 Remote Similarity NPD7531 Clinical (unspecified phase)
0.6364 Remote Similarity NPD2253 Discontinued
0.6346 Remote Similarity NPD7158 Phase 1
0.6301 Remote Similarity NPD9408 Phase 3
0.6286 Remote Similarity NPD9406 Approved
0.6276 Remote Similarity NPD6381 Phase 2
0.6273 Remote Similarity NPD231 Clinical (unspecified phase)
0.6223 Remote Similarity NPD2876 Phase 3
0.6223 Remote Similarity NPD2877 Clinical (unspecified phase)
0.6216 Remote Similarity NPD1128 Approved
0.6216 Remote Similarity NPD1127 Approved
0.6194 Remote Similarity NPD1118 Discontinued
0.619 Remote Similarity NPD281 Approved
0.617 Remote Similarity NPD2965 Clinical (unspecified phase)
0.6168 Remote Similarity NPD5768 Phase 2
0.6162 Remote Similarity NPD5665 Clinical (unspecified phase)
0.6162 Remote Similarity NPD6036 Suspended
0.6158 Remote Similarity NPD2824 Phase 2
0.6121 Remote Similarity NPD2604 Approved
0.6115 Remote Similarity NPD1117 Clinical (unspecified phase)
0.6114 Remote Similarity NPD1046 Clinical (unspecified phase)
0.6081 Remote Similarity NPD4812 Phase 1
0.6039 Remote Similarity NPD535 Approved
0.6024 Remote Similarity NPD3697 Discontinued
0.6 Remote Similarity NPD2180 Approved
0.6 Remote Similarity NPD1730 Discontinued
0.5957 Remote Similarity NPD4599 Clinical (unspecified phase)
0.5939 Remote Similarity NPD1731 Clinical (unspecified phase)
0.5931 Remote Similarity NPD578 Discontinued
0.5928 Remote Similarity NPD4495 Phase 1
0.5921 Remote Similarity NPD8829 Clinical (unspecified phase)
0.5912 Remote Similarity NPD1063 Phase 2
0.5909 Remote Similarity NPD9083 Clinical (unspecified phase)
0.5909 Remote Similarity NPD8838 Approved
0.5906 Remote Similarity NPD9084 Phase 2
0.5886 Remote Similarity NPD3695 Approved
0.5886 Remote Similarity NPD3696 Approved
0.5867 Remote Similarity NPD2903 Clinical (unspecified phase)
0.5867 Remote Similarity NPD2902 Phase 2
0.5848 Remote Similarity NPD527 Clinical (unspecified phase)
0.5839 Remote Similarity NPD171 Discontinued
0.5839 Remote Similarity NPD1061 Clinical (unspecified phase)
0.5827 Remote Similarity NPD9415 Clinical (unspecified phase)
0.5827 Remote Similarity NPD9196 Phase 2
0.5813 Remote Similarity NPD1451 Approved
0.5806 Remote Similarity NPD5340 Clinical (unspecified phase)
0.58 Remote Similarity NPD9544 Approved
0.58 Remote Similarity NPD78 Approved
0.5789 Remote Similarity NPD3130 Discontinued
0.5779 Remote Similarity NPD9650 Phase 3
0.5776 Remote Similarity NPD5342 Clinical (unspecified phase)
0.5743 Remote Similarity NPD9290 Approved
0.5725 Remote Similarity NPD9197 Discontinued
0.5724 Remote Similarity NPD300 Approved
0.5724 Remote Similarity NPD757 Phase 3
0.5704 Remote Similarity NPD613 Phase 2
0.5696 Remote Similarity NPD9628 Approved
0.5696 Remote Similarity NPD9133 Approved
0.5687 Remote Similarity NPD875 Clinical (unspecified phase)
0.568 Remote Similarity NPD9429 Discontinued
0.5672 Remote Similarity NPD5080 Phase 2
0.5649 Remote Similarity NPD9103 Approved
0.5649 Remote Similarity NPD9102 Approved
0.5632 Remote Similarity NPD691 Discontinued
0.5622 Remote Similarity NPD7486 Phase 1
0.5622 Remote Similarity NPD5079 Phase 2
0.5621 Remote Similarity NPD1085 Approved
0.5621 Remote Similarity NPD1775 Approved
0.562 Remote Similarity NPD223 Clinical (unspecified phase)
0.56 Remote Similarity NPD2221 Clinical (unspecified phase)

Structure

External Identifiers

PubChem CID   187790
ChEMBL   CHEMBL68908
ZINC  

Physicochemical Properties

Molecular Weight:  267.10
ALogP:  -1.9925
MLogP:  1.57
XLogP:  -1.042
# Rotatable Bonds:  5
Polar Surface Area:  135.98
# H-Bond Aceptor:  9
# H-Bond Donor:  5
# Rings:  3
# Heavy Atoms:  19

Download Data

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General Info & Identifiers & Properties  
Structure MOL file  
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Biological Activities  
Similar NPs/Drugs