Natural Product: NPC104011

Natural Product ID:  NPC104011
Common Name:   Microxine
IUPAC Name:   2-[(7-methyl-8-oxo-9H-purin-6-yl)amino]ethanesulfonic acid
Synonyms:   Microxine
Molecular Formula:   C8H11N5O4S
Standard InCHIKey:  OTYWCUOKKIHICD-UHFFFAOYSA-N
Standard InCHI:  InChI=1S/C8H11N5O4S/c1-13-5-6(9-2-3-18(15,16)17)10-4-11-7(5)12-8(13)14/h4H,2-3H2,1H3,(H,15,16,17)(H2,9,10,11,12,14)
Canonical SMILES:  Cn1c(O)nc2c1c(NCCS(=O)(=O)O)ncn2
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
NPO33232 microxina species. Species Niphatidae Eukaryota Australia PMID[11325241]

  Biological Activity

Target ID Target Type Target Name Target Organism Activity Type Activity Relation Value Unit Reference
NPT1423 Individual Protein Cyclin-dependent kinase 1 Homo sapiens IC50 = 13000 nM 26216018

  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 NPC104011 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
0.8067 Intermediate Similarity NPC476564
0.7815 Intermediate Similarity NPC87981
0.7815 Intermediate Similarity NPC174114
0.7761 Intermediate Similarity NPC246193
0.7742 Intermediate Similarity NPC312187
0.7742 Intermediate Similarity NPC4837
0.7518 Intermediate Similarity NPC57279
0.748 Intermediate Similarity NPC18335
0.7347 Intermediate Similarity NPC136349
0.7315 Intermediate Similarity NPC328479
0.7303 Intermediate Similarity NPC195140
0.7252 Intermediate Similarity NPC189314
0.7153 Intermediate Similarity NPC317821
0.7133 Intermediate Similarity NPC33996
0.7132 Intermediate Similarity NPC248007
0.7121 Intermediate Similarity NPC68938
0.7083 Intermediate Similarity NPC129756
0.704 Intermediate Similarity NPC476561
0.7034 Intermediate Similarity NPC209525
0.7034 Intermediate Similarity NPC161659
0.7027 Intermediate Similarity NPC164665
0.7027 Intermediate Similarity NPC189068
0.7025 Intermediate Similarity NPC325906
0.7 Intermediate Similarity NPC287876
0.698 Remote Similarity NPC219313
0.698 Remote Similarity NPC309832
0.6974 Remote Similarity NPC472816
0.6962 Remote Similarity NPC324484
0.6959 Remote Similarity NPC107374
0.6959 Remote Similarity NPC156461
0.6959 Remote Similarity NPC21448
0.6939 Remote Similarity NPC229974
0.6939 Remote Similarity NPC314152
0.6929 Remote Similarity NPC14330
0.6912 Remote Similarity NPC139776
0.6903 Remote Similarity NPC239737
0.6903 Remote Similarity NPC316618
0.6867 Remote Similarity NPC269827
0.6821 Remote Similarity NPC121222
0.6797 Remote Similarity NPC476099
0.6688 Remote Similarity NPC85689
0.6688 Remote Similarity NPC211025
0.6688 Remote Similarity NPC185991
0.6688 Remote Similarity NPC161224
0.6667 Remote Similarity NPC217656
0.6667 Remote Similarity NPC476562
0.6645 Remote Similarity NPC321814
0.6623 Remote Similarity NPC150853
0.6622 Remote Similarity NPC296437
0.6603 Remote Similarity NPC164952
0.6603 Remote Similarity NPC212551
0.6603 Remote Similarity NPC302778
0.6603 Remote Similarity NPC130586
0.6577 Remote Similarity NPC470266
0.6561 Remote Similarity NPC174802
0.6527 Remote Similarity NPC189261
0.6519 Remote Similarity NPC224076
0.6494 Remote Similarity NPC244700
0.649 Remote Similarity NPC476528
0.649 Remote Similarity NPC476433
0.6478 Remote Similarity NPC226245
0.6456 Remote Similarity NPC472834
0.6447 Remote Similarity NPC476520
0.6447 Remote Similarity NPC476013
0.6447 Remote Similarity NPC476522
0.6447 Remote Similarity NPC474986
0.6433 Remote Similarity NPC207633
0.6429 Remote Similarity NPC476408
0.6415 Remote Similarity NPC52238
0.6408 Remote Similarity NPC180493
0.6405 Remote Similarity NPC89139
0.6405 Remote Similarity NPC476521
0.6383 Remote Similarity NPC5707
0.6375 Remote Similarity NPC313754
0.6375 Remote Similarity NPC93365
0.6375 Remote Similarity NPC54320
0.6375 Remote Similarity NPC311197
0.6338 Remote Similarity NPC109322
0.6325 Remote Similarity NPC290959
0.628 Remote Similarity NPC323091
0.622 Remote Similarity NPC51000
0.6211 Remote Similarity NPC472833
0.6204 Remote Similarity NPC303899
0.6204 Remote Similarity NPC256849
0.6176 Remote Similarity NPC313897
0.6176 Remote Similarity NPC47936
0.617 Remote Similarity NPC252603
0.6159 Remote Similarity NPC313547
0.6143 Remote Similarity NPC278549
0.6131 Remote Similarity NPC326082
0.6115 Remote Similarity NPC148385
0.6108 Remote Similarity NPC261595
0.6098 Remote Similarity NPC18308
0.6098 Remote Similarity NPC472832
0.6093 Remote Similarity NPC320818
0.6071 Remote Similarity NPC321458
0.6071 Remote Similarity NPC324033
0.6056 Remote Similarity NPC327579
0.6029 Remote Similarity NPC75131
0.6 Remote Similarity NPC119133
0.5988 Remote Similarity NPC326529
0.5986 Remote Similarity NPC158847
0.5985 Remote Similarity NPC293163
0.5971 Remote Similarity NPC41958
0.597 Remote Similarity NPC59314
0.5954 Remote Similarity NPC319100
0.5954 Remote Similarity NPC324198
0.5862 Remote Similarity NPC164845
0.5852 Remote Similarity NPC10466
0.5849 Remote Similarity NPC197068
0.5843 Remote Similarity NPC24589
0.5833 Remote Similarity NPC313514
0.5821 Remote Similarity NPC187191
0.5821 Remote Similarity NPC326248
0.5816 Remote Similarity NPC327613
0.5816 Remote Similarity NPC199790
0.5746 Remote Similarity NPC78941
0.5746 Remote Similarity NPC282458
0.5732 Remote Similarity NPC321052
0.5722 Remote Similarity NPC265111
0.5714 Remote Similarity NPC262926
0.5682 Remote Similarity NPC9639
0.5677 Remote Similarity NPC61198
0.5674 Remote Similarity NPC473585
0.5662 Remote Similarity NPC273327
0.5652 Remote Similarity NPC155498
0.5613 Remote Similarity NPC321929

  Similar Clinical/Approved Drugs

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

●  The left chart: Distribution of similarity level between NPC104011 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
0.7879 Intermediate Similarity NPD870 Clinical (unspecified phase)
0.7727 Intermediate Similarity NPD9408 Phase 3
0.7687 Intermediate Similarity NPD9633 Phase 3
0.748 Intermediate Similarity NPD8836 Approved
0.741 Intermediate Similarity NPD9484 Clinical (unspecified phase)
0.7372 Intermediate Similarity NPD248 Discontinued
0.7347 Intermediate Similarity NPD548 Clinical (unspecified phase)
0.7252 Intermediate Similarity NPD8833 Approved
0.7252 Intermediate Similarity NPD8831 Approved
0.7214 Intermediate Similarity NPD1058 Discontinued
0.7181 Intermediate Similarity NPD3708 Phase 2
0.7132 Intermediate Similarity NPD9084 Phase 2
0.7092 Intermediate Similarity NPD9083 Clinical (unspecified phase)
0.7034 Intermediate Similarity NPD3696 Approved
0.7034 Intermediate Similarity NPD3695 Approved
0.7034 Intermediate Similarity NPD193 Suspended
0.7025 Intermediate Similarity NPD1777 Approved
0.7025 Intermediate Similarity NPD1776 Approved
0.7 Intermediate Similarity NPD8829 Clinical (unspecified phase)
0.6959 Remote Similarity NPD250 Approved
0.6959 Remote Similarity NPD249 Approved
0.6959 Remote Similarity NPD7158 Phase 1
0.6939 Remote Similarity NPD185 Approved
0.6928 Remote Similarity NPD1750 Clinical (unspecified phase)
0.6928 Remote Similarity NPD1369 Phase 2
0.6903 Remote Similarity NPD2646 Discontinued
0.6903 Remote Similarity NPD2624 Phase 2
0.6892 Remote Similarity NPD4240 Approved
0.6867 Remote Similarity NPD186 Discovery
0.6867 Remote Similarity NPD195 Approved
0.6846 Remote Similarity NPD166 Approved
0.6846 Remote Similarity NPD171 Discontinued
0.6795 Remote Similarity NPD1732 Phase 3
0.6779 Remote Similarity NPD9704 Approved
0.6716 Remote Similarity NPD757 Phase 3
0.671 Remote Similarity NPD3107 Discontinued
0.6689 Remote Similarity NPD1730 Discontinued
0.6688 Remote Similarity NPD283 Approved
0.6603 Remote Similarity NPD242 Approved
0.6603 Remote Similarity NPD338 Approved
0.6561 Remote Similarity NPD339 Approved
0.6554 Remote Similarity NPD799 Phase 1
0.6519 Remote Similarity NPD169 Phase 2
0.6488 Remote Similarity NPD1412 Clinical (unspecified phase)
0.6437 Remote Similarity NPD2631 Clinical (unspecified phase)
0.6437 Remote Similarity NPD2630 Approved
0.6437 Remote Similarity NPD2632 Approved
0.6408 Remote Similarity NPD78 Approved
0.6408 Remote Similarity NPD579 Clinical (unspecified phase)
0.6408 Remote Similarity NPD9544 Approved
0.6392 Remote Similarity NPD214 Approved
0.6392 Remote Similarity NPD213 Clinical (unspecified phase)
0.6383 Remote Similarity NPD8830 Phase 3
0.6375 Remote Similarity NPD218 Approved
0.6375 Remote Similarity NPD217 Approved
0.6375 Remote Similarity NPD220 Clinical (unspecified phase)
0.6375 Remote Similarity NPD219 Phase 3
0.6375 Remote Similarity NPD216 Approved
0.6375 Remote Similarity NPD546 Clinical (unspecified phase)
0.6336 Remote Similarity NPD341 Approved
0.6336 Remote Similarity NPD340 Approved
0.6331 Remote Similarity NPD578 Discontinued
0.6331 Remote Similarity NPD9360 Approved
0.6303 Remote Similarity NPD7988 Suspended
0.6286 Remote Similarity NPD580 Discontinued
0.6276 Remote Similarity NPD1127 Approved
0.6276 Remote Similarity NPD1128 Approved
0.6258 Remote Similarity NPD516 Clinical (unspecified phase)
0.625 Remote Similarity NPD281 Approved
0.6241 Remote Similarity NPD9409 Discontinued
0.6229 Remote Similarity NPD6417 Clinical (unspecified phase)
0.622 Remote Similarity NPD8838 Approved
0.6204 Remote Similarity NPD9358 Approved
0.6204 Remote Similarity NPD9373 Approved
0.6204 Remote Similarity NPD9359 Approved
0.6197 Remote Similarity NPD2221 Clinical (unspecified phase)
0.617 Remote Similarity NPD9289 Approved
0.617 Remote Similarity NPD9292 Approved
0.617 Remote Similarity NPD307 Approved
0.617 Remote Similarity NPD76 Approved
0.617 Remote Similarity NPD9288 Approved
0.6168 Remote Similarity NPD2647 Phase 3
0.6165 Remote Similarity NPD9626 Clinical (unspecified phase)
0.6149 Remote Similarity NPD282 Approved
0.6136 Remote Similarity NPD2963 Phase 1
0.6121 Remote Similarity NPD3083 Approved
0.6115 Remote Similarity NPD9374 Approved
0.6108 Remote Similarity NPD247 Clinical (unspecified phase)
0.6099 Remote Similarity NPD9606 Approved
0.6096 Remote Similarity NPD9696 Approved
0.6082 Remote Similarity NPD5666 Phase 2
0.6067 Remote Similarity NPD207 Discontinued
0.6056 Remote Similarity NPD9607 Approved
0.6024 Remote Similarity NPD2593 Clinical (unspecified phase)
0.6014 Remote Similarity NPD9375 Discontinued
0.6013 Remote Similarity NPD7531 Clinical (unspecified phase)
0.6 Remote Similarity NPD9291 Approved
0.5986 Remote Similarity NPD1775 Approved
0.5986 Remote Similarity NPD1085 Approved
0.597 Remote Similarity NPD8837 Clinical (unspecified phase)
0.5962 Remote Similarity NPD1117 Clinical (unspecified phase)
0.5954 Remote Similarity NPD4171 Clinical (unspecified phase)
0.5948 Remote Similarity NPD6112 Approved
0.5932 Remote Similarity NPD2457 Phase 2
0.5932 Remote Similarity NPD2456 Phase 2
0.5931 Remote Similarity NPD306 Approved
0.5931 Remote Similarity NPD4262 Discontinued
0.5921 Remote Similarity NPD1119 Phase 2
0.5909 Remote Similarity NPD1808 Phase 1
0.5893 Remote Similarity NPD1122 Clinical (unspecified phase)
0.5882 Remote Similarity NPD1121 Approved
0.5882 Remote Similarity NPD1120 Approved
0.5855 Remote Similarity NPD209 Clinical (unspecified phase)
0.5855 Remote Similarity NPD1264 Phase 2
0.5852 Remote Similarity NPD4716 Approved
0.5843 Remote Similarity NPD1692 Approved
0.5839 Remote Similarity NPD1816 Clinical (unspecified phase)
0.5833 Remote Similarity NPD7138 Phase 2
0.5827 Remote Similarity NPD8954 Approved
0.5827 Remote Similarity NPD8955 Approved
0.5819 Remote Similarity NPD4744 Clinical (unspecified phase)
0.5804 Remote Similarity NPD1368 Approved
0.58 Remote Similarity NPD9571 Approved
0.5796 Remote Similarity NPD2253 Discontinued
0.5789 Remote Similarity NPD9193 Approved
0.5789 Remote Similarity NPD9194 Approved
0.5779 Remote Similarity NPD535 Approved
0.5778 Remote Similarity NPD5683 Clinical (unspecified phase)
0.5778 Remote Similarity NPD5684 Clinical (unspecified phase)
0.5778 Remote Similarity NPD5682 Phase 3
0.5775 Remote Similarity NPD9086 Approved
0.5772 Remote Similarity NPD9366 Approved
0.5772 Remote Similarity NPD515 Phase 1
0.5764 Remote Similarity NPD237 Clinical (unspecified phase)
0.5732 Remote Similarity NPD1118 Discontinued
0.5731 Remote Similarity NPD1333 Phase 3
0.5722 Remote Similarity NPD4495 Phase 1
0.5706 Remote Similarity NPD1015 Phase 2
0.5706 Remote Similarity NPD1016 Phase 2
0.5696 Remote Similarity NPD1430 Approved
0.5696 Remote Similarity NPD1431 Approved
0.5686 Remote Similarity NPD545 Clinical (unspecified phase)
0.5686 Remote Similarity NPD547 Clinical (unspecified phase)
0.5677 Remote Similarity NPD252 Clinical (unspecified phase)
0.5676 Remote Similarity NPD798 Discontinued
0.5664 Remote Similarity NPD9584 Phase 2
0.5659 Remote Similarity NPD8565 Clinical (unspecified phase)
0.5658 Remote Similarity NPD9632 Phase 3
0.5641 Remote Similarity NPD9551 Approved
0.5641 Remote Similarity NPD9550 Approved
0.5633 Remote Similarity NPD549 Approved
0.5629 Remote Similarity NPD1017 Clinical (unspecified phase)
0.5629 Remote Similarity NPD8832 Approved
0.5625 Remote Similarity NPD5342 Clinical (unspecified phase)
0.5614 Remote Similarity NPD4143 Clinical (unspecified phase)
0.5613 Remote Similarity NPD194 Clinical (unspecified phase)
0.5613 Remote Similarity NPD8827 Approved
0.5607 Remote Similarity NPD1215 Discontinued
0.56 Remote Similarity NPD4812 Phase 1

Structure

External Identifiers

PubChem CID   10061827
ChEMBL   CHEMBL478797
ZINC  

Physicochemical Properties

Molecular Weight:  273.05
ALogP:  -1.2835
MLogP:  1.24
XLogP:  -0.328
# Rotatable Bonds:  7
Polar Surface Area:  138.61
# H-Bond Aceptor:  8
# H-Bond Donor:  3
# Rings:  2
# Heavy Atoms:  18

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Similar NPs/Drugs