Natural Product: NPC93365

Natural Product ID:  NPC93365
Common Name:   Aristeromycin
IUPAC Name:   (1R,2S,3R,5R)-3-(6-aminopurin-9-yl)-5-(hydroxymethyl)cyclopentane-1,2-diol
Synonyms:   Aristeromycin
Molecular Formula:   C11H15N5O3
Standard InCHIKey:  UGRNVLGKAGREKS-GCXDCGAKSA-N
Standard InCHI:  InChI=1S/C11H15N5O3/c12-10-7-11(14-3-13-10)16(4-15-7)6-1-5(2-17)8(18)9(6)19/h3-6,8-9,17-19H,1-2H2,(H2,12,13,14)/t5-,6-,8-,9+/m1/s1
Canonical SMILES:  OC[C@H]1C[C@H]([C@@H]([C@@H]1O)O)n1cnc2c1ncnc2N
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
NPO14351 Streptomyces citricolor Species Streptomycetaceae Bacteria StreptomeDB*
NPO6752 Melandryum firmum NA NA NA TM-MC*
NPO829 Vaccaria hispanica Species Caryophyllaceae Eukaryota TM-MC*

  Biological Activity

Target ID Target Type Target Name Target Organism Activity Type Activity Relation Value Unit Reference
NPT168 Cell Line P388 Mus musculus IC50 = 0.5 ug/ml 1433208
NPT168 Cell Line P388 Mus musculus Inhibition = 100 % 2157013
NPT912 Individual Protein Adenosylhomocysteinase Homo sapiens Inhibition = 99 % 3981539
NPT1460 Cell Line L929 Mus musculus Inhibition = 65 % 3981539
NPT912 Individual Protein Adenosylhomocysteinase Homo sapiens Ki = 110 nM 3981539
NPT4058 Individual Protein Adenosine deaminase Mus musculus Ki = 9900 nM 6481772
NPT32 Organism Mus musculus Mus musculus ED50 = 0.067 nM 6481772
NPT1315 Individual Protein Adenosine A1 receptor Rattus norvegicus Ki = 6260 nM 10841798
NPT1316 Individual Protein Adenosine A2a receptor Rattus norvegicus Ki = 2150 nM 10841798
NPT4059 Individual Protein Adenosine A2b receptor Homo sapiens Ki = 47300 nM 10841798
NPT1760 Individual Protein Adenosine A3 receptor Rattus norvegicus Ki = 20000 nM 10841798
NPT2555 Others Adenosine receptors; A1 & A3 Rattus norvegicus Ratio = 0.31 10841798
NPT1760 Individual Protein Adenosine A3 receptor Rattus norvegicus Ki = 200000 nM 7707320
NPT912 Individual Protein Adenosylhomocysteinase Homo sapiens IC50 = 4850 nM 18295495
NPT4060 Individual Protein Adenosylhomocysteinase Plasmodium falciparum 3D7 IC50 = 57000 nM 18295495
NPT2 Others Unspecified Ratio IC50 = 0.085 18295495
NPT2 Others Unspecified Activity = 22.4 % 18295495
NPT1019 Organism Trichomonas vaginalis Trichomonas vaginalis IC50 = 10000 nM 21044841
NPT1019 Organism Trichomonas vaginalis Trichomonas vaginalis GI = 95 % 21044841
NPT1019 Organism Trichomonas vaginalis Trichomonas vaginalis IC50 = 3 ug/ml 21044841
NPT912 Individual Protein Adenosylhomocysteinase Homo sapiens IC50 = 303 nM 24813734

  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 NPC93365 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
0.8456 Intermediate Similarity NPC21448
0.8456 Intermediate Similarity NPC156461
0.8456 Intermediate Similarity NPC107374
0.8446 Intermediate Similarity NPC229974
0.84 Intermediate Similarity NPC189068
0.84 Intermediate Similarity NPC164665
0.8344 Intermediate Similarity NPC219313
0.8344 Intermediate Similarity NPC269827
0.8344 Intermediate Similarity NPC309832
0.8311 Intermediate Similarity NPC161659
0.8311 Intermediate Similarity NPC209525
0.8243 Intermediate Similarity NPC129756
0.82 Intermediate Similarity NPC314152
0.8188 Intermediate Similarity NPC317821
0.8129 Intermediate Similarity NPC185991
0.8129 Intermediate Similarity NPC211025
0.8129 Intermediate Similarity NPC85689
0.8077 Intermediate Similarity NPC321814
0.8077 Intermediate Similarity NPC472816
0.8054 Intermediate Similarity NPC33996
0.8025 Intermediate Similarity NPC164952
0.8025 Intermediate Similarity NPC212551
0.8025 Intermediate Similarity NPC130586
0.8025 Intermediate Similarity NPC302778
0.7987 Intermediate Similarity NPC239737
0.7975 Intermediate Similarity NPC174802
0.7935 Intermediate Similarity NPC121222
0.7925 Intermediate Similarity NPC224076
0.7875 Intermediate Similarity NPC226245
0.7875 Intermediate Similarity NPC316618
0.7848 Intermediate Similarity NPC207633
0.7798 Intermediate Similarity NPC313897
0.7785 Intermediate Similarity NPC161224
0.7771 Intermediate Similarity NPC136349
0.7722 Intermediate Similarity NPC150853
0.7654 Intermediate Similarity NPC54320
0.7654 Intermediate Similarity NPC311197
0.7654 Intermediate Similarity NPC313754
0.7636 Intermediate Similarity NPC323091
0.7625 Intermediate Similarity NPC328479
0.7607 Intermediate Similarity NPC195140
0.7593 Intermediate Similarity NPC52238
0.756 Intermediate Similarity NPC290959
0.7451 Intermediate Similarity NPC320818
0.7442 Intermediate Similarity NPC189261
0.7337 Intermediate Similarity NPC261595
0.7294 Intermediate Similarity NPC321458
0.7294 Intermediate Similarity NPC324033
0.7283 Intermediate Similarity NPC326529
0.7278 Intermediate Similarity NPC324484
0.7241 Intermediate Similarity NPC324198
0.7241 Intermediate Similarity NPC319100
0.7235 Intermediate Similarity NPC325906
0.7151 Intermediate Similarity NPC326082
0.7006 Intermediate Similarity NPC61198
0.7 Intermediate Similarity NPC24589
0.6978 Remote Similarity NPC282458
0.6978 Remote Similarity NPC78941
0.6978 Remote Similarity NPC313514
0.6943 Remote Similarity NPC262926
0.6886 Remote Similarity NPC321052
0.6813 Remote Similarity NPC30326
0.6772 Remote Similarity NPC319221
0.6768 Remote Similarity NPC89147
0.6768 Remote Similarity NPC274384
0.6709 Remote Similarity NPC324009
0.6707 Remote Similarity NPC211820
0.6707 Remote Similarity NPC251233
0.6706 Remote Similarity NPC472834
0.6687 Remote Similarity NPC186619
0.6667 Remote Similarity NPC177169
0.6648 Remote Similarity NPC33382
0.6632 Remote Similarity NPC276373
0.6627 Remote Similarity NPC232408
0.6627 Remote Similarity NPC64705
0.661 Remote Similarity NPC125659
0.661 Remote Similarity NPC168702
0.6606 Remote Similarity NPC318590
0.6604 Remote Similarity NPC57279
0.6598 Remote Similarity NPC5802
0.6568 Remote Similarity NPC326694
0.6566 Remote Similarity NPC317746
0.6564 Remote Similarity NPC157821
0.6545 Remote Similarity NPC74306
0.6545 Remote Similarity NPC315642
0.6536 Remote Similarity NPC222174
0.6483 Remote Similarity NPC476564
0.6478 Remote Similarity NPC246193
0.6439 Remote Similarity NPC250178
0.6393 Remote Similarity NPC164845
0.6389 Remote Similarity NPC174114
0.6389 Remote Similarity NPC87981
0.6375 Remote Similarity NPC104011
0.6369 Remote Similarity NPC248007
0.6328 Remote Similarity NPC321393
0.631 Remote Similarity NPC217656
0.6292 Remote Similarity NPC14590
0.6272 Remote Similarity NPC89139
0.6267 Remote Similarity NPC4837
0.6267 Remote Similarity NPC312187
0.6265 Remote Similarity NPC296437
0.6258 Remote Similarity NPC327579
0.6228 Remote Similarity NPC470266
0.6215 Remote Similarity NPC160666
0.6178 Remote Similarity NPC139776
0.6173 Remote Similarity NPC287876
0.6163 Remote Similarity NPC244700
0.6154 Remote Similarity NPC476528
0.6154 Remote Similarity NPC476433
0.615 Remote Similarity NPC103388
0.6118 Remote Similarity NPC476520
0.6118 Remote Similarity NPC474986
0.6118 Remote Similarity NPC476522
0.6118 Remote Similarity NPC476013
0.6111 Remote Similarity NPC14330
0.6105 Remote Similarity NPC476408
0.6102 Remote Similarity NPC472833
0.6082 Remote Similarity NPC476521
0.6073 Remote Similarity NPC265111
0.604 Remote Similarity NPC18335
0.6032 Remote Similarity NPC473585
0.6 Remote Similarity NPC472832
0.6 Remote Similarity NPC18308
0.6 Remote Similarity NPC107160
0.5991 Remote Similarity NPC21461
0.5982 Remote Similarity NPC158055
0.5901 Remote Similarity NPC109322
0.5823 Remote Similarity NPC68938
0.5741 Remote Similarity NPC5707
0.5732 Remote Similarity NPC313547
0.5625 Remote Similarity NPC189314

  Similar Clinical/Approved Drugs

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

●  The left chart: Distribution of similarity level between NPC93365 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 NPD546 Clinical (unspecified phase)
0.8456 Intermediate Similarity NPD250 Approved
0.8456 Intermediate Similarity NPD249 Approved
0.8377 Intermediate Similarity NPD1750 Clinical (unspecified phase)
0.8344 Intermediate Similarity NPD186 Discovery
0.8344 Intermediate Similarity NPD195 Approved
0.8322 Intermediate Similarity NPD248 Discontinued
0.8291 Intermediate Similarity NPD516 Clinical (unspecified phase)
0.82 Intermediate Similarity NPD185 Approved
0.8148 Intermediate Similarity NPD2647 Phase 3
0.8141 Intermediate Similarity NPD1369 Phase 2
0.8141 Intermediate Similarity NPD3107 Discontinued
0.8129 Intermediate Similarity NPD353 Discontinued
0.8129 Intermediate Similarity NPD283 Approved
0.8101 Intermediate Similarity NPD2624 Phase 2
0.8101 Intermediate Similarity NPD1732 Phase 3
0.8101 Intermediate Similarity NPD2646 Discontinued
0.8092 Intermediate Similarity NPD166 Approved
0.8067 Intermediate Similarity NPD193 Suspended
0.8025 Intermediate Similarity NPD242 Approved
0.8025 Intermediate Similarity NPD338 Approved
0.7975 Intermediate Similarity NPD339 Approved
0.7925 Intermediate Similarity NPD169 Phase 2
0.7798 Intermediate Similarity NPD5666 Phase 2
0.7771 Intermediate Similarity NPD548 Clinical (unspecified phase)
0.7687 Intermediate Similarity NPD870 Clinical (unspecified phase)
0.7654 Intermediate Similarity NPD220 Clinical (unspecified phase)
0.7654 Intermediate Similarity NPD219 Phase 3
0.7654 Intermediate Similarity NPD217 Approved
0.7654 Intermediate Similarity NPD218 Approved
0.7654 Intermediate Similarity NPD216 Approved
0.76 Intermediate Similarity NPD5683 Clinical (unspecified phase)
0.76 Intermediate Similarity NPD5684 Clinical (unspecified phase)
0.76 Intermediate Similarity NPD5682 Phase 3
0.7595 Intermediate Similarity NPD775 Approved
0.7578 Intermediate Similarity NPD213 Clinical (unspecified phase)
0.7578 Intermediate Similarity NPD214 Approved
0.744 Intermediate Similarity NPD7988 Suspended
0.7337 Intermediate Similarity NPD247 Clinical (unspecified phase)
0.7241 Intermediate Similarity NPD4171 Clinical (unspecified phase)
0.7235 Intermediate Similarity NPD1776 Approved
0.7235 Intermediate Similarity NPD1777 Approved
0.7216 Intermediate Similarity NPD4716 Approved
0.72 Intermediate Similarity NPD1412 Clinical (unspecified phase)
0.7175 Intermediate Similarity NPD4744 Clinical (unspecified phase)
0.7143 Intermediate Similarity NPD547 Clinical (unspecified phase)
0.7124 Intermediate Similarity NPD9632 Phase 3
0.7118 Intermediate Similarity NPD527 Clinical (unspecified phase)
0.7111 Intermediate Similarity NPD6417 Clinical (unspecified phase)
0.7097 Intermediate Similarity NPD1058 Discontinued
0.7095 Intermediate Similarity NPD1692 Approved
0.7081 Intermediate Similarity NPD7158 Phase 1
0.7059 Intermediate Similarity NPD3083 Approved
0.7059 Intermediate Similarity NPD9633 Phase 3
0.7006 Intermediate Similarity NPD252 Clinical (unspecified phase)
0.6978 Remote Similarity NPD7138 Phase 2
0.6974 Remote Similarity NPD9408 Phase 3
0.697 Remote Similarity NPD3708 Phase 2
0.6923 Remote Similarity NPD545 Clinical (unspecified phase)
0.6848 Remote Similarity NPD2631 Clinical (unspecified phase)
0.6848 Remote Similarity NPD2630 Approved
0.6848 Remote Similarity NPD2632 Approved
0.6835 Remote Similarity NPD194 Clinical (unspecified phase)
0.6832 Remote Similarity NPD549 Approved
0.681 Remote Similarity NPD3849 Clinical (unspecified phase)
0.6788 Remote Similarity NPD2965 Clinical (unspecified phase)
0.6753 Remote Similarity NPD2876 Phase 3
0.6753 Remote Similarity NPD2877 Clinical (unspecified phase)
0.6689 Remote Similarity NPD307 Approved
0.6686 Remote Similarity NPD536 Clinical (unspecified phase)
0.6684 Remote Similarity NPD2824 Phase 2
0.6633 Remote Similarity NPD2902 Phase 2
0.6633 Remote Similarity NPD2903 Clinical (unspecified phase)
0.656 Remote Similarity NPD5171 Clinical (unspecified phase)
0.6545 Remote Similarity NPD582 Approved
0.6524 Remote Similarity NPD3695 Approved
0.6524 Remote Similarity NPD3696 Approved
0.6491 Remote Similarity NPD231 Clinical (unspecified phase)
0.6455 Remote Similarity NPD4054 Clinical (unspecified phase)
0.642 Remote Similarity NPD1119 Phase 2
0.64 Remote Similarity NPD4074 Clinical (unspecified phase)
0.6374 Remote Similarity NPD3085 Phase 1
0.6369 Remote Similarity NPD9084 Phase 2
0.6368 Remote Similarity NPD4495 Phase 1
0.6337 Remote Similarity NPD3086 Phase 3
0.6331 Remote Similarity NPD1730 Discontinued
0.6324 Remote Similarity NPD1046 Clinical (unspecified phase)
0.631 Remote Similarity NPD4240 Approved
0.6299 Remote Similarity NPD9606 Approved
0.6294 Remote Similarity NPD7531 Clinical (unspecified phase)
0.6287 Remote Similarity NPD2253 Discontinued
0.6258 Remote Similarity NPD9607 Approved
0.6258 Remote Similarity NPD209 Clinical (unspecified phase)
0.6235 Remote Similarity NPD282 Approved
0.6207 Remote Similarity NPD9605 Phase 3
0.6184 Remote Similarity NPD5080 Phase 2
0.6176 Remote Similarity NPD171 Discontinued
0.6173 Remote Similarity NPD8829 Clinical (unspecified phase)
0.6159 Remote Similarity NPD9083 Clinical (unspecified phase)
0.6154 Remote Similarity NPD1117 Clinical (unspecified phase)
0.6146 Remote Similarity NPD2152 Clinical (unspecified phase)
0.6135 Remote Similarity NPD5079 Phase 2
0.6131 Remote Similarity NPD4458 Phase 2
0.6131 Remote Similarity NPD4459 Clinical (unspecified phase)
0.6126 Remote Similarity NPD1063 Phase 2
0.6111 Remote Similarity NPD5627 Approved
0.6108 Remote Similarity NPD1808 Phase 1
0.6104 Remote Similarity NPD9374 Approved
0.6095 Remote Similarity NPD1430 Approved
0.6095 Remote Similarity NPD1431 Approved
0.6078 Remote Similarity NPD9373 Approved
0.6048 Remote Similarity NPD537 Phase 2
0.6048 Remote Similarity NPD534 Phase 2
0.6045 Remote Similarity NPD5172 Phase 2
0.604 Remote Similarity NPD8836 Approved
0.6036 Remote Similarity NPD1118 Discontinued
0.6025 Remote Similarity NPD281 Approved
0.5988 Remote Similarity NPD515 Phase 1
0.5982 Remote Similarity NPD7502 Clinical (unspecified phase)
0.5982 Remote Similarity NPD6840 Approved
0.5966 Remote Similarity NPD7842 Phase 2
0.5951 Remote Similarity NPD1127 Approved
0.5951 Remote Similarity NPD1128 Approved
0.5942 Remote Similarity NPD4563 Phase 2
0.5917 Remote Similarity NPD799 Phase 1
0.5909 Remote Similarity NPD9375 Discontinued
0.5902 Remote Similarity NPD796 Phase 2
0.5862 Remote Similarity NPD5486 Discontinued
0.5859 Remote Similarity NPD8250 Phase 2
0.5858 Remote Similarity NPD6112 Approved
0.5854 Remote Similarity NPD1355 Clinical (unspecified phase)
0.5854 Remote Similarity NPD1354 Approved
0.5854 Remote Similarity NPD1356 Approved
0.5847 Remote Similarity NPD2593 Clinical (unspecified phase)
0.5833 Remote Similarity NPD9484 Clinical (unspecified phase)
0.5828 Remote Similarity NPD9626 Clinical (unspecified phase)
0.5822 Remote Similarity NPD4555 Clinical (unspecified phase)
0.5816 Remote Similarity NPD207 Discontinued
0.5813 Remote Similarity NPD9409 Discontinued
0.5801 Remote Similarity NPD5336 Phase 1
0.5801 Remote Similarity NPD5337 Phase 1
0.5799 Remote Similarity NPD1120 Approved
0.5799 Remote Similarity NPD1121 Approved
0.5777 Remote Similarity NPD5458 Discontinued
0.5767 Remote Similarity NPD3081 Clinical (unspecified phase)
0.5741 Remote Similarity NPD8830 Phase 3
0.5728 Remote Similarity NPD1915 Phase 1
0.5696 Remote Similarity NPD757 Phase 3
0.5692 Remote Similarity NPD2457 Phase 2
0.5692 Remote Similarity NPD2456 Phase 2
0.5646 Remote Similarity NPD4612 Discontinued
0.5635 Remote Similarity NPD3913 Clinical (unspecified phase)
0.5628 Remote Similarity NPD3697 Discontinued
0.5625 Remote Similarity NPD8833 Approved
0.5625 Remote Similarity NPD8831 Approved
0.5616 Remote Similarity NPD5703 Discontinued
0.561 Remote Similarity NPD798 Discontinued
0.5602 Remote Similarity NPD1085 Approved
0.5602 Remote Similarity NPD1775 Approved
0.56 Remote Similarity NPD2179 Discontinued

Structure

External Identifiers

PubChem CID   65269
ChEMBL   CHEMBL49935
ZINC  

Physicochemical Properties

Molecular Weight:  265.12
ALogP:  -2.3077
MLogP:  1.79
XLogP:  -1.203
# Rotatable Bonds:  6
Polar Surface Area:  130.31
# H-Bond Aceptor:  8
# H-Bond Donor:  4
# Rings:  3
# Heavy Atoms:  19

Download Data

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Similar NPs/Drugs