Natural Product: NPC313754

Natural Product ID:  NPC313754
Common Name:   9-[3,4-Dihydroxy-5-(Hydroxymethyl)Oxolan-2-Yl]-3H-Purin-6-One
IUPAC Name:   9-[3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-3H-purin-6-one
Synonyms:  
Molecular Formula:   C10H12N4O5
Standard InCHIKey:  UGQMRVRMYYASKQ-UHFFFAOYSA-N
Standard InCHI:  InChI=1S/C10H12N4O5/c15-1-4-6(16)7(17)10(19-4)14-3-13-5-8(14)11-2-12-9(5)18/h2-4,6-7,10,15-17H,1H2,(H,11,12,18)
Canonical SMILES:  OCC1OC(C(C1O)O)n1cnc2c1ncnc2O
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
NPO31624 Streptomyces l-9-10 Species Streptomycetaceae Bacteria StreptomeDB*

  Biological Activity

Target ID Target Type Target Name Target Organism Activity Type Activity Relation Value Unit Reference
NPT46 Individual Protein Thyroid hormone receptor beta-1 Homo sapiens Potency = 10 nM PubChem BioAssay data set
NPT94 Individual Protein Aldehyde dehydrogenase 1A1 Homo sapiens Potency = 11906.1 nM PubChem BioAssay data set
NPT53 Individual Protein 4'-phosphopantetheinyl transferase ffp Bacillus subtilis Potency = 89125.1 nM PubChem BioAssay data set
NPT152 Individual Protein Nuclear factor erythroid 2-related factor 2 Homo sapiens Potency 4610.9 nM PubChem BioAssay data set
NPT2 Others Unspecified Potency 5623.4 nM PubChem BioAssay data set
NPT2 Others Unspecified Potency 819.9 nM PubChem BioAssay data set
NPT2 Others Unspecified Potency 580.5 nM PubChem BioAssay data set
NPT2 Others Unspecified Potency 15848.9 nM PubChem BioAssay data set
NPT535 Individual Protein Parathyroid hormone receptor Homo sapiens Potency 15848.9 nM PubChem BioAssay data set
NPT49 Individual Protein DNA-(apurinic or apyrimidinic site) lyase Homo sapiens Potency 100000 nM PubChem BioAssay data set

  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 NPC313754 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
1.0 High Similarity NPC311197
1.0 High Similarity NPC54320
0.993 High Similarity NPC52238
0.9533 High Similarity NPC261595
0.947 High Similarity NPC321458
0.947 High Similarity NPC324033
0.9034 High Similarity NPC164665
0.8966 High Similarity NPC21448
0.8966 High Similarity NPC156461
0.8966 High Similarity NPC107374
0.8904 High Similarity NPC189068
0.8844 High Similarity NPC219313
0.8844 High Similarity NPC269827
0.8844 High Similarity NPC309832
0.8828 High Similarity NPC229974
0.869 High Similarity NPC161659
0.869 High Similarity NPC209525
0.8609 High Similarity NPC211025
0.8609 High Similarity NPC185991
0.8609 High Similarity NPC85689
0.8571 High Similarity NPC314152
0.8562 High Similarity NPC317821
0.8553 High Similarity NPC472816
0.8553 High Similarity NPC207633
0.8553 High Similarity NPC321814
0.8497 Intermediate Similarity NPC212551
0.8497 Intermediate Similarity NPC130586
0.8497 Intermediate Similarity NPC164952
0.8497 Intermediate Similarity NPC302778
0.8442 Intermediate Similarity NPC174802
0.8421 Intermediate Similarity NPC150853
0.8411 Intermediate Similarity NPC121222
0.8387 Intermediate Similarity NPC224076
0.8333 Intermediate Similarity NPC239737
0.8333 Intermediate Similarity NPC226245
0.8333 Intermediate Similarity NPC316618
0.8247 Intermediate Similarity NPC161224
0.8243 Intermediate Similarity NPC129756
0.8117 Intermediate Similarity NPC136349
0.8075 Intermediate Similarity NPC323091
0.7962 Intermediate Similarity NPC328479
0.7933 Intermediate Similarity NPC33996
0.7919 Intermediate Similarity NPC320818
0.7919 Intermediate Similarity NPC61198
0.7852 Intermediate Similarity NPC262926
0.7847 Intermediate Similarity NPC248007
0.7785 Intermediate Similarity NPC319221
0.7751 Intermediate Similarity NPC189261
0.773 Intermediate Similarity NPC321393
0.7718 Intermediate Similarity NPC324009
0.7716 Intermediate Similarity NPC195140
0.7697 Intermediate Similarity NPC30326
0.7692 Intermediate Similarity NPC326529
0.7654 Intermediate Similarity NPC93365
0.7647 Intermediate Similarity NPC319100
0.7647 Intermediate Similarity NPC324198
0.7639 Intermediate Similarity NPC139776
0.7628 Intermediate Similarity NPC89147
0.7628 Intermediate Similarity NPC274384
0.759 Intermediate Similarity NPC324484
0.7564 Intermediate Similarity NPC211820
0.7564 Intermediate Similarity NPC251233
0.756 Intermediate Similarity NPC326082
0.756 Intermediate Similarity NPC290959
0.7548 Intermediate Similarity NPC186619
0.7545 Intermediate Similarity NPC325906
0.7516 Intermediate Similarity NPC177169
0.7468 Intermediate Similarity NPC64705
0.7468 Intermediate Similarity NPC232408
0.7452 Intermediate Similarity NPC318590
0.7405 Intermediate Similarity NPC317746
0.7389 Intermediate Similarity NPC74306
0.7389 Intermediate Similarity NPC315642
0.7351 Intermediate Similarity NPC287876
0.7301 Intermediate Similarity NPC321052
0.7285 Intermediate Similarity NPC14330
0.7283 Intermediate Similarity NPC313897
0.7095 Intermediate Similarity NPC24589
0.7072 Intermediate Similarity NPC282458
0.7072 Intermediate Similarity NPC313514
0.7072 Intermediate Similarity NPC78941
0.7059 Intermediate Similarity NPC14590
0.7011 Intermediate Similarity NPC222174
0.697 Remote Similarity NPC326694
0.6949 Remote Similarity NPC164845
0.6913 Remote Similarity NPC327579
0.6887 Remote Similarity NPC5707
0.685 Remote Similarity NPC250178
0.6839 Remote Similarity NPC33382
0.68 Remote Similarity NPC168702
0.68 Remote Similarity NPC125659
0.6736 Remote Similarity NPC157821
0.6719 Remote Similarity NPC276373
0.6684 Remote Similarity NPC5802
0.65 Remote Similarity NPC57279
0.6375 Remote Similarity NPC246193
0.6375 Remote Similarity NPC104011
0.637 Remote Similarity NPC476564
0.6368 Remote Similarity NPC160666
0.6313 Remote Similarity NPC103388
0.6303 Remote Similarity NPC107160
0.6291 Remote Similarity NPC21461
0.6164 Remote Similarity NPC174114
0.6164 Remote Similarity NPC87981
0.6159 Remote Similarity NPC312187
0.6159 Remote Similarity NPC4837
0.5982 Remote Similarity NPC158055
0.5935 Remote Similarity NPC313547
0.5901 Remote Similarity NPC109322
0.5894 Remote Similarity NPC119133
0.5866 Remote Similarity NPC472834
0.5844 Remote Similarity NPC329046
0.5828 Remote Similarity NPC18335
0.5762 Remote Similarity NPC10466
0.5714 Remote Similarity NPC89139
0.5671 Remote Similarity NPC180493
0.5625 Remote Similarity NPC68938
0.5625 Remote Similarity NPC240084

  Similar Clinical/Approved Drugs

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

●  The left chart: Distribution of similarity level between NPC313754 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 NPD220 Clinical (unspecified phase)
1.0 High Similarity NPD218 Approved
1.0 High Similarity NPD219 Phase 3
1.0 High Similarity NPD216 Approved
1.0 High Similarity NPD217 Approved
0.979 High Similarity NPD214 Approved
0.979 High Similarity NPD213 Clinical (unspecified phase)
0.9533 High Similarity NPD247 Clinical (unspecified phase)
0.8966 High Similarity NPD250 Approved
0.8966 High Similarity NPD249 Approved
0.8844 High Similarity NPD195 Approved
0.8844 High Similarity NPD186 Discovery
0.8609 High Similarity NPD283 Approved
0.8571 High Similarity NPD185 Approved
0.8497 Intermediate Similarity NPD242 Approved
0.8497 Intermediate Similarity NPD1750 Clinical (unspecified phase)
0.8497 Intermediate Similarity NPD338 Approved
0.8497 Intermediate Similarity NPD3107 Discontinued
0.8497 Intermediate Similarity NPD1369 Phase 2
0.8456 Intermediate Similarity NPD166 Approved
0.8452 Intermediate Similarity NPD2624 Phase 2
0.8442 Intermediate Similarity NPD339 Approved
0.8435 Intermediate Similarity NPD193 Suspended
0.8387 Intermediate Similarity NPD169 Phase 2
0.8333 Intermediate Similarity NPD1732 Phase 3
0.8333 Intermediate Similarity NPD2646 Discontinued
0.8117 Intermediate Similarity NPD548 Clinical (unspecified phase)
0.8081 Intermediate Similarity NPD4054 Clinical (unspecified phase)
0.8069 Intermediate Similarity NPD9632 Phase 3
0.7927 Intermediate Similarity NPD2647 Phase 3
0.7919 Intermediate Similarity NPD252 Clinical (unspecified phase)
0.7847 Intermediate Similarity NPD9084 Phase 2
0.7806 Intermediate Similarity NPD1730 Discontinued
0.7798 Intermediate Similarity NPD5666 Phase 2
0.7719 Intermediate Similarity NPD4716 Approved
0.7703 Intermediate Similarity NPD248 Discontinued
0.7688 Intermediate Similarity NPD1692 Approved
0.7683 Intermediate Similarity NPD3083 Approved
0.7674 Intermediate Similarity NPD4744 Clinical (unspecified phase)
0.7654 Intermediate Similarity NPD546 Clinical (unspecified phase)
0.7651 Intermediate Similarity NPD7988 Suspended
0.7647 Intermediate Similarity NPD4171 Clinical (unspecified phase)
0.7616 Intermediate Similarity NPD194 Clinical (unspecified phase)
0.7602 Intermediate Similarity NPD1412 Clinical (unspecified phase)
0.7597 Intermediate Similarity NPD549 Approved
0.7545 Intermediate Similarity NPD1777 Approved
0.7545 Intermediate Similarity NPD1776 Approved
0.7516 Intermediate Similarity NPD9605 Phase 3
0.7515 Intermediate Similarity NPD516 Clinical (unspecified phase)
0.745 Intermediate Similarity NPD870 Clinical (unspecified phase)
0.7401 Intermediate Similarity NPD5683 Clinical (unspecified phase)
0.7401 Intermediate Similarity NPD5682 Phase 3
0.7401 Intermediate Similarity NPD5684 Clinical (unspecified phase)
0.7401 Intermediate Similarity NPD6417 Clinical (unspecified phase)
0.7389 Intermediate Similarity NPD582 Approved
0.7351 Intermediate Similarity NPD8829 Clinical (unspecified phase)
0.732 Intermediate Similarity NPD9083 Clinical (unspecified phase)
0.7222 Intermediate Similarity NPD2632 Approved
0.7222 Intermediate Similarity NPD2631 Clinical (unspecified phase)
0.7222 Intermediate Similarity NPD2630 Approved
0.7186 Intermediate Similarity NPD4074 Clinical (unspecified phase)
0.7134 Intermediate Similarity NPD3086 Phase 3
0.7091 Intermediate Similarity NPD536 Clinical (unspecified phase)
0.7073 Intermediate Similarity NPD3085 Phase 1
0.7072 Intermediate Similarity NPD7138 Phase 2
0.7059 Intermediate Similarity NPD9633 Phase 3
0.6975 Remote Similarity NPD7158 Phase 1
0.6974 Remote Similarity NPD9408 Phase 3
0.6913 Remote Similarity NPD9607 Approved
0.6887 Remote Similarity NPD8830 Phase 3
0.6867 Remote Similarity NPD3708 Phase 2
0.6846 Remote Similarity NPD9606 Approved
0.6772 Remote Similarity NPD209 Clinical (unspecified phase)
0.6753 Remote Similarity NPD2877 Clinical (unspecified phase)
0.6753 Remote Similarity NPD2876 Phase 3
0.6709 Remote Similarity NPD545 Clinical (unspecified phase)
0.6701 Remote Similarity NPD2965 Clinical (unspecified phase)
0.6686 Remote Similarity NPD231 Clinical (unspecified phase)
0.6684 Remote Similarity NPD2824 Phase 2
0.6644 Remote Similarity NPD9374 Approved
0.6627 Remote Similarity NPD353 Discontinued
0.6604 Remote Similarity NPD547 Clinical (unspecified phase)
0.6579 Remote Similarity NPD307 Approved
0.6548 Remote Similarity NPD796 Phase 2
0.6524 Remote Similarity NPD3695 Approved
0.6524 Remote Similarity NPD3696 Approved
0.651 Remote Similarity NPD9373 Approved
0.6503 Remote Similarity NPD1046 Clinical (unspecified phase)
0.6468 Remote Similarity NPD2902 Phase 2
0.6468 Remote Similarity NPD2903 Clinical (unspecified phase)
0.6467 Remote Similarity NPD171 Discontinued
0.645 Remote Similarity NPD775 Approved
0.6439 Remote Similarity NPD534 Phase 2
0.6439 Remote Similarity NPD537 Phase 2
0.6402 Remote Similarity NPD2152 Clinical (unspecified phase)
0.6392 Remote Similarity NPD9366 Approved
0.6386 Remote Similarity NPD1431 Approved
0.6386 Remote Similarity NPD1430 Approved
0.6368 Remote Similarity NPD4495 Phase 1
0.6335 Remote Similarity NPD282 Approved
0.6319 Remote Similarity NPD1119 Phase 2
0.6296 Remote Similarity NPD1063 Phase 2
0.6259 Remote Similarity NPD9626 Clinical (unspecified phase)
0.6257 Remote Similarity NPD527 Clinical (unspecified phase)
0.6218 Remote Similarity NPD9409 Discontinued
0.6213 Remote Similarity NPD4240 Approved
0.6205 Remote Similarity NPD1808 Phase 1
0.619 Remote Similarity NPD2253 Discontinued
0.6184 Remote Similarity NPD5080 Phase 2
0.6135 Remote Similarity NPD5079 Phase 2
0.6118 Remote Similarity NPD9375 Discontinued
0.6108 Remote Similarity NPD4089 Clinical (unspecified phase)
0.6084 Remote Similarity NPD1120 Approved
0.6084 Remote Similarity NPD1121 Approved
0.6049 Remote Similarity NPD1127 Approved
0.6049 Remote Similarity NPD1128 Approved
0.6025 Remote Similarity NPD281 Approved
0.5988 Remote Similarity NPD515 Phase 1
0.5982 Remote Similarity NPD6840 Approved
0.5979 Remote Similarity NPD207 Discontinued
0.597 Remote Similarity NPD4458 Phase 2
0.597 Remote Similarity NPD4459 Clinical (unspecified phase)
0.5964 Remote Similarity NPD1058 Discontinued
0.5952 Remote Similarity NPD6112 Approved
0.5952 Remote Similarity NPD9551 Approved
0.5952 Remote Similarity NPD9550 Approved
0.592 Remote Similarity NPD7531 Clinical (unspecified phase)
0.5897 Remote Similarity NPD9584 Phase 2
0.5894 Remote Similarity NPD9291 Approved
0.5893 Remote Similarity NPD535 Approved
0.5876 Remote Similarity NPD7842 Phase 2
0.5828 Remote Similarity NPD8836 Approved
0.5824 Remote Similarity NPD799 Phase 1
0.5794 Remote Similarity NPD245 Suspended
0.5786 Remote Similarity NPD9360 Approved
0.5771 Remote Similarity NPD691 Discontinued
0.5756 Remote Similarity NPD1118 Discontinued
0.574 Remote Similarity NPD4654 Phase 1
0.5734 Remote Similarity NPD1273 Discontinued
0.5721 Remote Similarity NPD8250 Phase 2
0.5714 Remote Similarity NPD9417 Phase 3
0.5714 Remote Similarity NPD9416 Phase 3
0.5707 Remote Similarity NPD5486 Discontinued
0.5706 Remote Similarity NPD798 Discontinued
0.5696 Remote Similarity NPD757 Phase 3
0.5695 Remote Similarity NPD7502 Clinical (unspecified phase)
0.5687 Remote Similarity NPD237 Clinical (unspecified phase)
0.5676 Remote Similarity NPD2593 Clinical (unspecified phase)
0.5676 Remote Similarity NPD1572 Phase 2
0.5671 Remote Similarity NPD78 Approved
0.5671 Remote Similarity NPD9544 Approved
0.5647 Remote Similarity NPD9484 Clinical (unspecified phase)
0.5629 Remote Similarity NPD9571 Approved
0.5625 Remote Similarity NPD5458 Discontinued
0.5625 Remote Similarity NPD6023 Discontinued
0.5622 Remote Similarity NPD6381 Phase 2
0.5604 Remote Similarity NPD4714 Approved
0.5604 Remote Similarity NPD34 Approved
0.5604 Remote Similarity NPD4713 Clinical (unspecified phase)
0.5604 Remote Similarity NPD4715 Clinical (unspecified phase)
0.56 Remote Similarity NPD1117 Clinical (unspecified phase)

Structure

External Identifiers

PubChem CID   804
ChEMBL   CHEMBL9850
ZINC  

Physicochemical Properties

Molecular Weight:  268.08
ALogP:  -1.9895
MLogP:  1.57
XLogP:  -1.742
# Rotatable Bonds:  6
Polar Surface Area:  133.75
# H-Bond Aceptor:  8
# H-Bond Donor:  4
# Rings:  3
# Heavy Atoms:  19

Download Data

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Structure MOL file  
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Biological Activities  
Similar NPs/Drugs