Natural Product: NPC321393

Natural Product ID:  NPC321393
Common Name:   n.a.
IUPAC Name:  
Synonyms:  
Molecular Formula:   C10H12N4O5
Standard InCHIKey:  KFQUAMTWOJHPEJ-DAGMQNCNSA-N
Standard InCHI:  InChI=1S/C10H12N4O5/c15-2-5-6(16)7(17)10(19-5)14-8-4(1-13-14)9(18)12-3-11-8/h1,3,5-7,10,15-17H,2H2,(H,11,12,18)/t5-,6-,7-,10-/m1/s1
Canonical SMILES:  OC[C@H]1O[C@H]([C@@H]([C@@H]1O)O)n1ncc2c1ncnc2O
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 blood PMID[838831]

  Biological Activity

Target ID Target Type Target Name Target Organism Activity Type Activity Relation Value Unit Reference
NPT3697 Organism Leishmania tropica Leishmania tropica ED50 = 0.076 nM 6471066
NPT1291 Individual Protein Purine nucleoside phosphorylase Homo sapiens Inhibition = 8 % 11959007
NPT1291 Individual Protein Purine nucleoside phosphorylase Homo sapiens Inhibition = 28 % 11959007
NPT1291 Individual Protein Purine nucleoside phosphorylase Homo sapiens Ki = 2000000 nM 11959007
NPT1291 Individual Protein Purine nucleoside phosphorylase Homo sapiens Inhibition = 11 % 11959007
NPT1291 Individual Protein Purine nucleoside phosphorylase Homo sapiens Inhibition = 22 % 11959007
NPT1291 Individual Protein Purine nucleoside phosphorylase Homo sapiens Ki = 1800000 nM 11959007
NPT3129 Organism Eimeria tenella Eimeria tenella MIC = 20 ug/ml 7131482

  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 NPC321393 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
0.773 Intermediate Similarity NPC54320
0.773 Intermediate Similarity NPC313754
0.773 Intermediate Similarity NPC311197
0.7692 Intermediate Similarity NPC222174
0.7669 Intermediate Similarity NPC52238
0.7593 Intermediate Similarity NPC207633
0.7471 Intermediate Similarity NPC125659
0.7471 Intermediate Similarity NPC168702
0.7468 Intermediate Similarity NPC321929
0.7412 Intermediate Similarity NPC261595
0.7412 Intermediate Similarity NPC33382
0.7368 Intermediate Similarity NPC324033
0.7368 Intermediate Similarity NPC321458
0.7329 Intermediate Similarity NPC164665
0.7267 Intermediate Similarity NPC21448
0.7267 Intermediate Similarity NPC156461
0.7267 Intermediate Similarity NPC107374
0.7222 Intermediate Similarity NPC189068
0.7178 Intermediate Similarity NPC219313
0.7178 Intermediate Similarity NPC269827
0.7178 Intermediate Similarity NPC309832
0.7143 Intermediate Similarity NPC229974
0.7101 Intermediate Similarity NPC239737
0.7019 Intermediate Similarity NPC161659
0.7019 Intermediate Similarity NPC209525
0.7006 Intermediate Similarity NPC85689
0.7006 Intermediate Similarity NPC185991
0.7006 Intermediate Similarity NPC211025
0.6964 Remote Similarity NPC472816
0.6964 Remote Similarity NPC321814
0.6946 Remote Similarity NPC150853
0.6933 Remote Similarity NPC314152
0.6923 Remote Similarity NPC302778
0.6923 Remote Similarity NPC212551
0.6923 Remote Similarity NPC130586
0.6923 Remote Similarity NPC164952
0.6914 Remote Similarity NPC317821
0.6882 Remote Similarity NPC174802
0.6842 Remote Similarity NPC224076
0.6826 Remote Similarity NPC121222
0.6802 Remote Similarity NPC316618
0.6802 Remote Similarity NPC226245
0.6748 Remote Similarity NPC129756
0.6706 Remote Similarity NPC161224
0.6689 Remote Similarity NPC329046
0.661 Remote Similarity NPC323091
0.6588 Remote Similarity NPC136349
0.6564 Remote Similarity NPC320818
0.6485 Remote Similarity NPC33996
0.6474 Remote Similarity NPC328479
0.6463 Remote Similarity NPC61198
0.6419 Remote Similarity NPC163105
0.6402 Remote Similarity NPC262926
0.6378 Remote Similarity NPC189261
0.6341 Remote Similarity NPC319221
0.6328 Remote Similarity NPC93365
0.6324 Remote Similarity NPC326529
0.6292 Remote Similarity NPC195140
0.629 Remote Similarity NPC319100
0.629 Remote Similarity NPC324198
0.6287 Remote Similarity NPC30326
0.628 Remote Similarity NPC324009
0.6257 Remote Similarity NPC274384
0.6257 Remote Similarity NPC89147
0.6237 Remote Similarity NPC313897
0.6209 Remote Similarity NPC324484
0.6199 Remote Similarity NPC211820
0.6199 Remote Similarity NPC251233
0.6196 Remote Similarity NPC290959
0.6196 Remote Similarity NPC326082
0.6176 Remote Similarity NPC186619
0.6175 Remote Similarity NPC325906
0.6163 Remote Similarity NPC177169
0.6127 Remote Similarity NPC64705
0.6127 Remote Similarity NPC232408
0.6114 Remote Similarity NPC250178
0.6107 Remote Similarity NPC75844
0.6105 Remote Similarity NPC318590
0.6102 Remote Similarity NPC321052
0.6082 Remote Similarity NPC313514
0.6069 Remote Similarity NPC317746
0.6047 Remote Similarity NPC315642
0.6047 Remote Similarity NPC74306
0.6013 Remote Similarity NPC27699
0.5917 Remote Similarity NPC107160
0.5854 Remote Similarity NPC248007
0.5846 Remote Similarity NPC24589
0.5838 Remote Similarity NPC14590
0.5838 Remote Similarity NPC78941
0.5838 Remote Similarity NPC282458
0.5825 Remote Similarity NPC103388
0.5825 Remote Similarity NPC157821
0.581 Remote Similarity NPC326694
0.5805 Remote Similarity NPC276373
0.5777 Remote Similarity NPC5802
0.5695 Remote Similarity NPC160666
0.568 Remote Similarity NPC287876
0.5671 Remote Similarity NPC139776
0.5621 Remote Similarity NPC14330
0.5614 Remote Similarity NPC57279

  Similar Clinical/Approved Drugs

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

●  The left chart: Distribution of similarity level between NPC321393 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
0.8176 Intermediate Similarity NPD1692 Approved
0.8038 Intermediate Similarity NPD231 Clinical (unspecified phase)
0.773 Intermediate Similarity NPD218 Approved
0.773 Intermediate Similarity NPD219 Phase 3
0.773 Intermediate Similarity NPD220 Clinical (unspecified phase)
0.773 Intermediate Similarity NPD216 Approved
0.773 Intermediate Similarity NPD217 Approved
0.7546 Intermediate Similarity NPD214 Approved
0.7546 Intermediate Similarity NPD213 Clinical (unspecified phase)
0.7529 Intermediate Similarity NPD1046 Clinical (unspecified phase)
0.75 Intermediate Similarity NPD4089 Clinical (unspecified phase)
0.7468 Intermediate Similarity NPD8827 Approved
0.7412 Intermediate Similarity NPD247 Clinical (unspecified phase)
0.7278 Intermediate Similarity NPD1063 Phase 2
0.7267 Intermediate Similarity NPD250 Approved
0.7267 Intermediate Similarity NPD249 Approved
0.7178 Intermediate Similarity NPD195 Approved
0.7178 Intermediate Similarity NPD186 Discovery
0.7069 Intermediate Similarity NPD2647 Phase 3
0.7013 Intermediate Similarity NPD8826 Approved
0.7006 Intermediate Similarity NPD283 Approved
0.6933 Remote Similarity NPD185 Approved
0.6923 Remote Similarity NPD338 Approved
0.6923 Remote Similarity NPD1750 Clinical (unspecified phase)
0.6923 Remote Similarity NPD242 Approved
0.6923 Remote Similarity NPD3107 Discontinued
0.6923 Remote Similarity NPD1369 Phase 2
0.6882 Remote Similarity NPD4054 Clinical (unspecified phase)
0.6882 Remote Similarity NPD339 Approved
0.6848 Remote Similarity NPD166 Approved
0.6842 Remote Similarity NPD169 Phase 2
0.681 Remote Similarity NPD193 Suspended
0.6802 Remote Similarity NPD2646 Discontinued
0.6802 Remote Similarity NPD2624 Phase 2
0.6802 Remote Similarity NPD1732 Phase 3
0.6721 Remote Similarity NPD4716 Approved
0.6705 Remote Similarity NPD527 Clinical (unspecified phase)
0.6685 Remote Similarity NPD4744 Clinical (unspecified phase)
0.6588 Remote Similarity NPD548 Clinical (unspecified phase)
0.6562 Remote Similarity NPD9632 Phase 3
0.6463 Remote Similarity NPD252 Clinical (unspecified phase)
0.6413 Remote Similarity NPD5666 Phase 2
0.6404 Remote Similarity NPD516 Clinical (unspecified phase)
0.6369 Remote Similarity NPD420 Discontinued
0.6333 Remote Similarity NPD9071 Phase 3
0.6328 Remote Similarity NPD546 Clinical (unspecified phase)
0.629 Remote Similarity NPD4171 Clinical (unspecified phase)
0.6278 Remote Similarity NPD3083 Approved
0.6264 Remote Similarity NPD7988 Suspended
0.6257 Remote Similarity NPD1412 Clinical (unspecified phase)
0.6225 Remote Similarity NPD9416 Phase 3
0.6225 Remote Similarity NPD9417 Phase 3
0.6213 Remote Similarity NPD549 Approved
0.6205 Remote Similarity NPD194 Clinical (unspecified phase)
0.6175 Remote Similarity NPD1776 Approved
0.6175 Remote Similarity NPD1777 Approved
0.6159 Remote Similarity NPD248 Discontinued
0.6158 Remote Similarity NPD3593 Approved
0.6114 Remote Similarity NPD5684 Clinical (unspecified phase)
0.6114 Remote Similarity NPD6417 Clinical (unspecified phase)
0.6114 Remote Similarity NPD5683 Clinical (unspecified phase)
0.6114 Remote Similarity NPD5682 Phase 3
0.6107 Remote Similarity NPD8566 Approved
0.6102 Remote Similarity NPD536 Clinical (unspecified phase)
0.6082 Remote Similarity NPD7138 Phase 2
0.6047 Remote Similarity NPD582 Approved
0.6037 Remote Similarity NPD8832 Approved
0.6013 Remote Similarity NPD8571 Phase 3
0.5987 Remote Similarity NPD9406 Approved
0.5969 Remote Similarity NPD2632 Approved
0.5969 Remote Similarity NPD2630 Approved
0.5969 Remote Similarity NPD2631 Clinical (unspecified phase)
0.5965 Remote Similarity NPD6351 Discovery
0.5951 Remote Similarity NPD2965 Clinical (unspecified phase)
0.5943 Remote Similarity NPD1730 Discontinued
0.5939 Remote Similarity NPD870 Clinical (unspecified phase)
0.5934 Remote Similarity NPD4074 Clinical (unspecified phase)
0.5931 Remote Similarity NPD5486 Discontinued
0.5922 Remote Similarity NPD2876 Phase 3
0.5922 Remote Similarity NPD2877 Clinical (unspecified phase)
0.5922 Remote Similarity NPD9605 Phase 3
0.5906 Remote Similarity NPD799 Phase 1
0.5894 Remote Similarity NPD796 Phase 2
0.5888 Remote Similarity NPD537 Phase 2
0.5888 Remote Similarity NPD534 Phase 2
0.5879 Remote Similarity NPD9366 Approved
0.5866 Remote Similarity NPD3086 Phase 3
0.5865 Remote Similarity NPD2824 Phase 2
0.5854 Remote Similarity NPD9084 Phase 2
0.5845 Remote Similarity NPD5458 Discontinued
0.581 Remote Similarity NPD3085 Phase 1
0.5755 Remote Similarity NPD2903 Clinical (unspecified phase)
0.5755 Remote Similarity NPD2902 Phase 2
0.5729 Remote Similarity NPD2152 Clinical (unspecified phase)
0.5714 Remote Similarity NPD1367 Phase 2
0.568 Remote Similarity NPD8829 Clinical (unspecified phase)
0.5678 Remote Similarity NPD8373 Clinical (unspecified phase)
0.5673 Remote Similarity NPD9083 Clinical (unspecified phase)
0.5636 Remote Similarity NPD306 Approved
0.5621 Remote Similarity NPD9633 Phase 3
0.5618 Remote Similarity NPD7158 Phase 1
0.5616 Remote Similarity NPD4187 Clinical (unspecified phase)
0.5602 Remote Similarity NPD1734 Clinical (unspecified phase)

Structure

External Identifiers

PubChem CID  
ChEMBL   CHEMBL1688966
ZINC  

Physicochemical Properties

Molecular Weight:  268.08
ALogP:  -1.9895
MLogP:  1.57
XLogP:  -2.06
# Rotatable Bonds:  6
Polar Surface Area:  133.75
# H-Bond Aceptor:  8
# H-Bond Donor:  4
# Rings:  3
# Heavy Atoms:  19

Download Data

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