Natural Product: NPC150853

Natural Product ID:  NPC150853
Common Name:   Decoyinine
IUPAC Name:   (2R,3R,4S)-2-(6-aminopurin-9-yl)-2-(hydroxymethyl)-5-methylideneoxolane-3,4-diol
Synonyms:   Decoyinine
Molecular Formula:   C11H13N5O4
Standard InCHIKey:  UZSSGAOAYPICBZ-SOCHQFKDSA-N
Standard InCHI:  InChI=1S/C11H13N5O4/c1-5-7(18)8(19)11(2-17,20-5)16-4-15-6-9(12)13-3-14-10(6)16/h3-4,7-8,17-19H,1-2H2,(H2,12,13,14)/t7-,8-,11-/m1/s1
Canonical SMILES:  OC[C@]1(OC(=C)[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
NPO13391.66 Streptomyces hygroscopicus var. angustmyceticus Varieties Streptomycetaceae Bacteria StreptomeDB*

  Biological Activity

Target ID Target Type Target Name Target Organism Activity Type Activity Relation Value Unit Reference
NPT61 Individual Protein Beta-glucocerebrosidase Homo sapiens Potency 7943.3 nM PubChem BioAssay data set
NPT66 Individual Protein Acetylcholinesterase Electrophorus electricus Inhibition = -12.35 % 23062825
NPT67 Individual Protein Cholinesterase Equus caballus Inhibition = -3.01 % 23062825

  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 NPC150853 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
0.9078 High Similarity NPC21448
0.9078 High Similarity NPC107374
0.9078 High Similarity NPC156461
0.9014 High Similarity NPC164665
0.9014 High Similarity NPC189068
0.8951 High Similarity NPC309832
0.8951 High Similarity NPC219313
0.8951 High Similarity NPC269827
0.8936 High Similarity NPC229974
0.8929 High Similarity NPC317821
0.8794 High Similarity NPC161659
0.8794 High Similarity NPC209525
0.8723 High Similarity NPC129756
0.8707 High Similarity NPC211025
0.8707 High Similarity NPC85689
0.8707 High Similarity NPC185991
0.8671 High Similarity NPC314152
0.8667 High Similarity NPC239737
0.8649 High Similarity NPC321814
0.8649 High Similarity NPC472816
0.8591 High Similarity NPC130586
0.8591 High Similarity NPC302778
0.8591 High Similarity NPC164952
0.8591 High Similarity NPC212551
0.8533 High Similarity NPC174802
0.8523 High Similarity NPC207633
0.8503 High Similarity NPC121222
0.8477 Intermediate Similarity NPC224076
0.8446 Intermediate Similarity NPC136349
0.8421 Intermediate Similarity NPC311197
0.8421 Intermediate Similarity NPC54320
0.8421 Intermediate Similarity NPC313754
0.8421 Intermediate Similarity NPC316618
0.8421 Intermediate Similarity NPC226245
0.8392 Intermediate Similarity NPC33996
0.8355 Intermediate Similarity NPC52238
0.8333 Intermediate Similarity NPC161224
0.8278 Intermediate Similarity NPC328479
0.8153 Intermediate Similarity NPC323091
0.805 Intermediate Similarity NPC261595
0.8013 Intermediate Similarity NPC195140
0.8 Intermediate Similarity NPC324033
0.8 Intermediate Similarity NPC321458
0.8 Intermediate Similarity NPC320818
0.7875 Intermediate Similarity NPC324484
0.7826 Intermediate Similarity NPC325906
0.7758 Intermediate Similarity NPC326529
0.7755 Intermediate Similarity NPC61198
0.773 Intermediate Similarity NPC290959
0.7722 Intermediate Similarity NPC93365
0.7711 Intermediate Similarity NPC324198
0.7711 Intermediate Similarity NPC319100
0.7711 Intermediate Similarity NPC189261
0.7687 Intermediate Similarity NPC262926
0.7622 Intermediate Similarity NPC326082
0.7616 Intermediate Similarity NPC313514
0.7533 Intermediate Similarity NPC30326
0.75 Intermediate Similarity NPC319221
0.7468 Intermediate Similarity NPC274384
0.7468 Intermediate Similarity NPC89147
0.7451 Intermediate Similarity NPC315642
0.7451 Intermediate Similarity NPC74306
0.7432 Intermediate Similarity NPC324009
0.7403 Intermediate Similarity NPC211820
0.7403 Intermediate Similarity NPC251233
0.7386 Intermediate Similarity NPC186619
0.7365 Intermediate Similarity NPC222174
0.7358 Intermediate Similarity NPC321052
0.7355 Intermediate Similarity NPC177169
0.7341 Intermediate Similarity NPC24589
0.7337 Intermediate Similarity NPC313897
0.7314 Intermediate Similarity NPC78941
0.7314 Intermediate Similarity NPC282458
0.7308 Intermediate Similarity NPC64705
0.7308 Intermediate Similarity NPC232408
0.729 Intermediate Similarity NPC318590
0.7244 Intermediate Similarity NPC317746
0.7203 Intermediate Similarity NPC327579
0.7186 Intermediate Similarity NPC33382
0.7143 Intermediate Similarity NPC168702
0.7143 Intermediate Similarity NPC125659
0.7135 Intermediate Similarity NPC157821
0.712 Intermediate Similarity NPC276373
0.7086 Intermediate Similarity NPC57279
0.7081 Intermediate Similarity NPC5802
0.7019 Intermediate Similarity NPC326694
0.6974 Remote Similarity NPC250178
0.6946 Remote Similarity NPC321393
0.6905 Remote Similarity NPC14590
0.6846 Remote Similarity NPC248007
0.6763 Remote Similarity NPC476564
0.6733 Remote Similarity NPC107160
0.6667 Remote Similarity NPC174114
0.6667 Remote Similarity NPC87981
0.6647 Remote Similarity NPC472834
0.6644 Remote Similarity NPC139776
0.6634 Remote Similarity NPC160666
0.6634 Remote Similarity NPC21461
0.6623 Remote Similarity NPC246193
0.6623 Remote Similarity NPC287876
0.6623 Remote Similarity NPC104011
0.6597 Remote Similarity NPC103388
0.6558 Remote Similarity NPC14330
0.6528 Remote Similarity NPC312187
0.6528 Remote Similarity NPC4837
0.6303 Remote Similarity NPC158055
0.6296 Remote Similarity NPC296437
0.6294 Remote Similarity NPC18335
0.627 Remote Similarity NPC265111
0.6258 Remote Similarity NPC470266
0.623 Remote Similarity NPC473585
0.6182 Remote Similarity NPC476528
0.6182 Remote Similarity NPC476433
0.6169 Remote Similarity NPC5707
0.6145 Remote Similarity NPC476522
0.6145 Remote Similarity NPC476520
0.6145 Remote Similarity NPC474986
0.6145 Remote Similarity NPC476013
0.6131 Remote Similarity NPC476408
0.6127 Remote Similarity NPC472833
0.6108 Remote Similarity NPC476521
0.6095 Remote Similarity NPC244700
0.6067 Remote Similarity NPC313547
0.6053 Remote Similarity NPC68938
0.6026 Remote Similarity NPC109322
0.6023 Remote Similarity NPC18308
0.6023 Remote Similarity NPC472832
0.5978 Remote Similarity NPC164845
0.5918 Remote Similarity NPC119133
0.5844 Remote Similarity NPC189314
0.5822 Remote Similarity NPC476561
0.5817 Remote Similarity NPC63433
0.5793 Remote Similarity NPC293163
0.5786 Remote Similarity NPC180493
0.5783 Remote Similarity NPC150447
0.5782 Remote Similarity NPC59314
0.5765 Remote Similarity NPC217656
0.5731 Remote Similarity NPC89139
0.5714 Remote Similarity NPC180462
0.5686 Remote Similarity NPC41958
0.5676 Remote Similarity NPC10466
0.5646 Remote Similarity NPC50511
0.564 Remote Similarity NPC174020
0.5638 Remote Similarity NPC476099
0.5621 Remote Similarity NPC210947
0.5607 Remote Similarity NPC197068

  Similar Clinical/Approved Drugs

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

●  The left chart: Distribution of similarity level between NPC150853 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
0.9078 High Similarity NPD249 Approved
0.9078 High Similarity NPD250 Approved
0.8951 High Similarity NPD195 Approved
0.8951 High Similarity NPD186 Discovery
0.8707 High Similarity NPD283 Approved
0.8671 High Similarity NPD185 Approved
0.8591 High Similarity NPD3107 Discontinued
0.8591 High Similarity NPD1369 Phase 2
0.8591 High Similarity NPD242 Approved
0.8591 High Similarity NPD338 Approved
0.8591 High Similarity NPD1750 Clinical (unspecified phase)
0.8552 High Similarity NPD166 Approved
0.8533 High Similarity NPD339 Approved
0.8531 High Similarity NPD193 Suspended
0.8477 Intermediate Similarity NPD169 Phase 2
0.8446 Intermediate Similarity NPD548 Clinical (unspecified phase)
0.8421 Intermediate Similarity NPD219 Phase 3
0.8421 Intermediate Similarity NPD1732 Phase 3
0.8421 Intermediate Similarity NPD2624 Phase 2
0.8421 Intermediate Similarity NPD216 Approved
0.8421 Intermediate Similarity NPD217 Approved
0.8421 Intermediate Similarity NPD2646 Discontinued
0.8421 Intermediate Similarity NPD220 Clinical (unspecified phase)
0.8421 Intermediate Similarity NPD218 Approved
0.8333 Intermediate Similarity NPD4716 Approved
0.8282 Intermediate Similarity NPD4744 Clinical (unspecified phase)
0.8258 Intermediate Similarity NPD516 Clinical (unspecified phase)
0.8224 Intermediate Similarity NPD213 Clinical (unspecified phase)
0.8224 Intermediate Similarity NPD214 Approved
0.805 Intermediate Similarity NPD247 Clinical (unspecified phase)
0.8028 Intermediate Similarity NPD248 Discontinued
0.8 Intermediate Similarity NPD2647 Phase 3
0.7902 Intermediate Similarity NPD9632 Phase 3
0.7857 Intermediate Similarity NPD1692 Approved
0.7826 Intermediate Similarity NPD1777 Approved
0.7826 Intermediate Similarity NPD1776 Approved
0.7758 Intermediate Similarity NPD5666 Phase 2
0.7755 Intermediate Similarity NPD252 Clinical (unspecified phase)
0.7722 Intermediate Similarity NPD546 Clinical (unspecified phase)
0.7716 Intermediate Similarity NPD7988 Suspended
0.7711 Intermediate Similarity NPD4171 Clinical (unspecified phase)
0.7665 Intermediate Similarity NPD1412 Clinical (unspecified phase)
0.7616 Intermediate Similarity NPD7138 Phase 2
0.758 Intermediate Similarity NPD536 Clinical (unspecified phase)
0.7531 Intermediate Similarity NPD3083 Approved
0.7517 Intermediate Similarity NPD870 Clinical (unspecified phase)
0.7466 Intermediate Similarity NPD9633 Phase 3
0.7451 Intermediate Similarity NPD582 Approved
0.745 Intermediate Similarity NPD194 Clinical (unspecified phase)
0.7434 Intermediate Similarity NPD549 Approved
0.7379 Intermediate Similarity NPD9408 Phase 3
0.7356 Intermediate Similarity NPD5684 Clinical (unspecified phase)
0.7356 Intermediate Similarity NPD5683 Clinical (unspecified phase)
0.7356 Intermediate Similarity NPD5682 Phase 3
0.7356 Intermediate Similarity NPD6417 Clinical (unspecified phase)
0.7355 Intermediate Similarity NPD7158 Phase 1
0.7273 Intermediate Similarity NPD2630 Approved
0.7273 Intermediate Similarity NPD2632 Approved
0.7273 Intermediate Similarity NPD2631 Clinical (unspecified phase)
0.7203 Intermediate Similarity NPD9607 Approved
0.7189 Intermediate Similarity NPD2965 Clinical (unspecified phase)
0.7151 Intermediate Similarity NPD2876 Phase 3
0.7151 Intermediate Similarity NPD2877 Clinical (unspecified phase)
0.7133 Intermediate Similarity NPD9606 Approved
0.7074 Intermediate Similarity NPD2824 Phase 2
0.7039 Intermediate Similarity NPD4054 Clinical (unspecified phase)
0.703 Intermediate Similarity NPD4074 Clinical (unspecified phase)
0.7025 Intermediate Similarity NPD171 Discontinued
0.7016 Intermediate Similarity NPD2902 Phase 2
0.7016 Intermediate Similarity NPD2903 Clinical (unspecified phase)
0.6975 Remote Similarity NPD3086 Phase 3
0.6923 Remote Similarity NPD9374 Approved
0.6914 Remote Similarity NPD3708 Phase 2
0.6914 Remote Similarity NPD3085 Phase 1
0.6894 Remote Similarity NPD775 Approved
0.6879 Remote Similarity NPD3695 Approved
0.6879 Remote Similarity NPD3696 Approved
0.6846 Remote Similarity NPD9084 Phase 2
0.6829 Remote Similarity NPD231 Clinical (unspecified phase)
0.6823 Remote Similarity NPD4495 Phase 1
0.6818 Remote Similarity NPD1046 Clinical (unspecified phase)
0.6783 Remote Similarity NPD9373 Approved
0.677 Remote Similarity NPD1730 Discontinued
0.6755 Remote Similarity NPD515 Phase 1
0.6735 Remote Similarity NPD307 Approved
0.6703 Remote Similarity NPD2152 Clinical (unspecified phase)
0.6627 Remote Similarity NPD9605 Phase 3
0.6623 Remote Similarity NPD8829 Clinical (unspecified phase)
0.6616 Remote Similarity NPD5080 Phase 2
0.6603 Remote Similarity NPD209 Clinical (unspecified phase)
0.6603 Remote Similarity NPD9083 Clinical (unspecified phase)
0.6593 Remote Similarity NPD1063 Phase 2
0.6579 Remote Similarity NPD4458 Phase 2
0.6579 Remote Similarity NPD4459 Clinical (unspecified phase)
0.657 Remote Similarity NPD527 Clinical (unspecified phase)
0.6566 Remote Similarity NPD5079 Phase 2
0.6543 Remote Similarity NPD4240 Approved
0.6538 Remote Similarity NPD545 Clinical (unspecified phase)
0.6522 Remote Similarity NPD1430 Approved
0.6522 Remote Similarity NPD1431 Approved
0.6522 Remote Similarity NPD207 Discontinued
0.6474 Remote Similarity NPD282 Approved
0.6467 Remote Similarity NPD353 Discontinued
0.6433 Remote Similarity NPD547 Clinical (unspecified phase)
0.637 Remote Similarity NPD9375 Discontinued
0.6358 Remote Similarity NPD9409 Discontinued
0.6335 Remote Similarity NPD1808 Phase 1
0.6322 Remote Similarity NPD2593 Clinical (unspecified phase)
0.6303 Remote Similarity NPD6840 Approved
0.6294 Remote Similarity NPD8836 Approved
0.6289 Remote Similarity NPD5486 Discontinued
0.6242 Remote Similarity NPD9584 Phase 2
0.6211 Remote Similarity NPD1120 Approved
0.6211 Remote Similarity NPD1121 Approved
0.6193 Remote Similarity NPD5458 Discontinued
0.6188 Remote Similarity NPD1058 Discontinued
0.6181 Remote Similarity NPD9626 Clinical (unspecified phase)
0.6178 Remote Similarity NPD1127 Approved
0.6178 Remote Similarity NPD1128 Approved
0.6173 Remote Similarity NPD6112 Approved
0.6169 Remote Similarity NPD8830 Phase 3
0.6162 Remote Similarity NPD796 Phase 2
0.6154 Remote Similarity NPD281 Approved
0.6149 Remote Similarity NPD1119 Phase 2
0.6135 Remote Similarity NPD799 Phase 1
0.6131 Remote Similarity NPD7531 Clinical (unspecified phase)
0.6076 Remote Similarity NPD1356 Approved
0.6076 Remote Similarity NPD1354 Approved
0.6076 Remote Similarity NPD1355 Clinical (unspecified phase)
0.6075 Remote Similarity NPD7502 Clinical (unspecified phase)
0.6068 Remote Similarity NPD534 Phase 2
0.6068 Remote Similarity NPD537 Phase 2
0.6026 Remote Similarity NPD798 Discontinued
0.6024 Remote Similarity NPD2253 Discontinued
0.6018 Remote Similarity NPD8250 Phase 2
0.6012 Remote Similarity NPD535 Approved
0.601 Remote Similarity NPD4713 Clinical (unspecified phase)
0.601 Remote Similarity NPD4714 Approved
0.601 Remote Similarity NPD34 Approved
0.601 Remote Similarity NPD4715 Clinical (unspecified phase)
0.5988 Remote Similarity NPD7842 Phase 2
0.5986 Remote Similarity NPD1816 Clinical (unspecified phase)
0.5951 Remote Similarity NPD9484 Clinical (unspecified phase)
0.5949 Remote Similarity NPD691 Discontinued
0.592 Remote Similarity NPD2451 Phase 2
0.592 Remote Similarity NPD2450 Phase 2
0.592 Remote Similarity NPD2452 Phase 2
0.592 Remote Similarity NPD2453 Phase 2
0.5918 Remote Similarity NPD9291 Approved
0.5913 Remote Similarity NPD4555 Clinical (unspecified phase)
0.5909 Remote Similarity NPD9360 Approved
0.5895 Remote Similarity NPD3913 Clinical (unspecified phase)
0.5879 Remote Similarity NPD9582 Phase 3
0.5857 Remote Similarity NPD6381 Phase 2
0.5844 Remote Similarity NPD8831 Approved
0.5844 Remote Similarity NPD8833 Approved
0.5837 Remote Similarity NPD6023 Discontinued
0.5833 Remote Similarity NPD5627 Approved
0.5817 Remote Similarity NPD757 Phase 3
0.581 Remote Similarity NPD245 Suspended
0.5808 Remote Similarity NPD5665 Clinical (unspecified phase)
0.5792 Remote Similarity NPD7323 Phase 2
0.5786 Remote Similarity NPD78 Approved
0.5786 Remote Similarity NPD9544 Approved
0.5784 Remote Similarity NPD4089 Clinical (unspecified phase)
0.5783 Remote Similarity NPD9550 Approved
0.5783 Remote Similarity NPD9551 Approved
0.5782 Remote Similarity NPD8837 Clinical (unspecified phase)
0.5779 Remote Similarity NPD4599 Clinical (unspecified phase)
0.5778 Remote Similarity NPD5768 Phase 2
0.5774 Remote Similarity NPD1118 Discontinued
0.5773 Remote Similarity NPD3849 Clinical (unspecified phase)
0.5743 Remote Similarity NPD1915 Phase 1
0.5742 Remote Similarity NPD1368 Approved
0.5735 Remote Similarity NPD4612 Discontinued
0.5733 Remote Similarity NPD9416 Phase 3
0.5733 Remote Similarity NPD9417 Phase 3
0.5729 Remote Similarity NPD2591 Phase 2
0.5729 Remote Similarity NPD5757 Discontinued
0.5714 Remote Similarity NPD9366 Approved
0.5708 Remote Similarity NPD4187 Clinical (unspecified phase)
0.5707 Remote Similarity NPD2457 Phase 2
0.5707 Remote Similarity NPD2456 Phase 2
0.5705 Remote Similarity NPD237 Clinical (unspecified phase)
0.5701 Remote Similarity NPD5703 Discontinued
0.5684 Remote Similarity NPD3593 Approved
0.5683 Remote Similarity NPD5269 Clinical (unspecified phase)
0.5674 Remote Similarity NPD1273 Discontinued
0.5674 Remote Similarity NPD1017 Clinical (unspecified phase)
0.5673 Remote Similarity NPD9704 Approved
0.5646 Remote Similarity NPD429 Approved
0.5642 Remote Similarity NPD3697 Discontinued
0.5614 Remote Similarity NPD1117 Clinical (unspecified phase)
0.5611 Remote Similarity NPD4654 Phase 1
0.5607 Remote Similarity NPD6036 Suspended

Structure

External Identifiers

PubChem CID   121578
ChEMBL   CHEMBL1444741
ZINC  

Physicochemical Properties

Molecular Weight:  279.10
ALogP:  -2.0802
MLogP:  1.68
XLogP:  -1.074
# Rotatable Bonds:  6
Polar Surface Area:  139.54
# H-Bond Aceptor:  9
# H-Bond Donor:  4
# Rings:  3
# Heavy Atoms:  20

Download Data

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