Natural Product: NPC251233

Natural Product ID:  NPC251233
Common Name:   (9-Beta-D-Xylofuranosyl)Guanine 5'-Monophosphate
IUPAC Name:   [(2R,3R,4R,5R)-5-(2-amino-6-oxo-3H-purin-9-yl)-3,4-dihydroxyoxolan-2-yl]methyl dihydrogen phosphate
Synonyms:  
Molecular Formula:   C10H14N5O8P
Standard InCHIKey:  RQFCJASXJCIDSX-FTWQFJAYSA-N
Standard InCHI:  InChI=1S/C10H14N5O8P/c11-10-13-7-4(8(18)14-10)12-2-15(7)9-6(17)5(16)3(23-9)1-22-24(19,20)21/h2-3,5-6,9,16-17H,1H2,(H2,19,20,21)(H3,11,13,14,18)/t3-,5+,6-,9-/m1/s1
Canonical SMILES:  O[C@@H]1[C@@H](O)[C@H](O[C@H]1n1cnc2c1[nH]c(=N)nc2O)COP(=O)(O)O
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
NPO17732 Coriolus Species Coriolaceae Eukaryota TCMSP*

  Biological Activity

Target ID Target Type Target Name Target Organism Activity Type Activity Relation Value Unit Reference
NPT190 Organism Human herpesvirus 1 Human herpesvirus 1 MIC = 10 ug/ml 184282

  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 NPC251233 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 NPC211820
0.9924 High Similarity NPC177169
0.985 High Similarity NPC64705
0.985 High Similarity NPC232408
0.9848 High Similarity NPC318590
0.9847 High Similarity NPC186619
0.9774 High Similarity NPC317746
0.9774 High Similarity NPC89147
0.9774 High Similarity NPC274384
0.9618 High Similarity NPC30326
0.9466 High Similarity NPC61198
0.9389 High Similarity NPC262926
0.9167 High Similarity NPC319221
0.9091 High Similarity NPC324009
0.8912 High Similarity NPC14590
0.875 High Similarity NPC320818
0.8321 Intermediate Similarity NPC327579
0.8311 Intermediate Similarity NPC130586
0.8311 Intermediate Similarity NPC164952
0.8299 Intermediate Similarity NPC185991
0.8299 Intermediate Similarity NPC211025
0.8299 Intermediate Similarity NPC85689
0.8255 Intermediate Similarity NPC174802
0.8252 Intermediate Similarity NPC315642
0.8252 Intermediate Similarity NPC74306
0.8243 Intermediate Similarity NPC321814
0.8231 Intermediate Similarity NPC326694
0.8188 Intermediate Similarity NPC212551
0.8188 Intermediate Similarity NPC302778
0.8146 Intermediate Similarity NPC226245
0.8146 Intermediate Similarity NPC316618
0.8095 Intermediate Similarity NPC121222
0.8079 Intermediate Similarity NPC224076
0.8054 Intermediate Similarity NPC161224
0.8013 Intermediate Similarity NPC261595
0.7962 Intermediate Similarity NPC321458
0.7962 Intermediate Similarity NPC324033
0.7891 Intermediate Similarity NPC156461
0.7891 Intermediate Similarity NPC21448
0.7891 Intermediate Similarity NPC107374
0.7885 Intermediate Similarity NPC323091
0.7838 Intermediate Similarity NPC164665
0.7838 Intermediate Similarity NPC189068
0.7785 Intermediate Similarity NPC219313
0.7785 Intermediate Similarity NPC269827
0.7785 Intermediate Similarity NPC309832
0.7755 Intermediate Similarity NPC229974
0.7647 Intermediate Similarity NPC321052
0.7619 Intermediate Similarity NPC161659
0.7619 Intermediate Similarity NPC209525
0.7564 Intermediate Similarity NPC313754
0.7564 Intermediate Similarity NPC311197
0.7564 Intermediate Similarity NPC54320
0.7561 Intermediate Similarity NPC189261
0.7532 Intermediate Similarity NPC472816
0.7517 Intermediate Similarity NPC314152
0.75 Intermediate Similarity NPC317821
0.75 Intermediate Similarity NPC326529
0.75 Intermediate Similarity NPC52238
0.7455 Intermediate Similarity NPC319100
0.7455 Intermediate Similarity NPC324198
0.7452 Intermediate Similarity NPC239737
0.7403 Intermediate Similarity NPC150853
0.7362 Intermediate Similarity NPC326082
0.7308 Intermediate Similarity NPC207633
0.72 Intermediate Similarity NPC129756
0.7115 Intermediate Similarity NPC136349
0.6981 Remote Similarity NPC328479
0.6908 Remote Similarity NPC33996
0.6906 Remote Similarity NPC313547
0.6871 Remote Similarity NPC195140
0.6741 Remote Similarity NPC59314
0.6707 Remote Similarity NPC93365
0.6667 Remote Similarity NPC324484
0.6647 Remote Similarity NPC290959
0.6642 Remote Similarity NPC119133
0.6627 Remote Similarity NPC325906
0.6596 Remote Similarity NPC41958
0.659 Remote Similarity NPC313897
0.6519 Remote Similarity NPC293163
0.6409 Remote Similarity NPC313514
0.6389 Remote Similarity NPC63433
0.6377 Remote Similarity NPC10466
0.6333 Remote Similarity NPC24589
0.6322 Remote Similarity NPC222174
0.6319 Remote Similarity NPC78941
0.6319 Remote Similarity NPC282458
0.625 Remote Similarity NPC320256
0.6199 Remote Similarity NPC321393
0.6149 Remote Similarity NPC33382
0.6117 Remote Similarity NPC107160
0.6114 Remote Similarity NPC168702
0.6114 Remote Similarity NPC125659
0.6106 Remote Similarity NPC21461
0.6031 Remote Similarity NPC157821
0.601 Remote Similarity NPC276373
0.5979 Remote Similarity NPC5802
0.5973 Remote Similarity NPC240084
0.5943 Remote Similarity NPC158055
0.5935 Remote Similarity NPC180462
0.5854 Remote Similarity NPC250178
0.5843 Remote Similarity NPC174020
0.5797 Remote Similarity NPC226769
0.5797 Remote Similarity NPC6166
0.5797 Remote Similarity NPC280946
0.5755 Remote Similarity NPC120887
0.575 Remote Similarity NPC57279
0.5745 Remote Similarity NPC328914
0.5742 Remote Similarity NPC109322
0.5723 Remote Similarity NPC60537
0.5714 Remote Similarity NPC328779
0.5707 Remote Similarity NPC103388
0.5706 Remote Similarity NPC470141
0.5643 Remote Similarity NPC90240
0.5636 Remote Similarity NPC210947
0.5633 Remote Similarity NPC144223
0.5625 Remote Similarity NPC476561
0.5625 Remote Similarity NPC287876
0.5605 Remote Similarity NPC248007
0.5602 Remote Similarity NPC185903

  Similar Clinical/Approved Drugs

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

●  The left chart: Distribution of similarity level between NPC251233 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
0.9466 High Similarity NPD252 Clinical (unspecified phase)
0.9353 High Similarity NPD3086 Phase 3
0.9281 High Similarity NPD3085 Phase 1
0.9098 High Similarity NPD194 Clinical (unspecified phase)
0.9097 High Similarity NPD4074 Clinical (unspecified phase)
0.9084 High Similarity NPD9632 Phase 3
0.9044 High Similarity NPD549 Approved
0.8321 Intermediate Similarity NPD9607 Approved
0.8311 Intermediate Similarity NPD338 Approved
0.8299 Intermediate Similarity NPD283 Approved
0.8255 Intermediate Similarity NPD339 Approved
0.8252 Intermediate Similarity NPD582 Approved
0.8244 Intermediate Similarity NPD9606 Approved
0.8188 Intermediate Similarity NPD242 Approved
0.812 Intermediate Similarity NPD9409 Discontinued
0.8079 Intermediate Similarity NPD169 Phase 2
0.8071 Intermediate Similarity NPD209 Clinical (unspecified phase)
0.8054 Intermediate Similarity NPD353 Discontinued
0.8015 Intermediate Similarity NPD9374 Approved
0.8013 Intermediate Similarity NPD247 Clinical (unspecified phase)
0.8 Intermediate Similarity NPD545 Clinical (unspecified phase)
0.791 Intermediate Similarity NPD307 Approved
0.7891 Intermediate Similarity NPD250 Approved
0.7891 Intermediate Similarity NPD249 Approved
0.7881 Intermediate Similarity NPD536 Clinical (unspecified phase)
0.7872 Intermediate Similarity NPD547 Clinical (unspecified phase)
0.7863 Intermediate Similarity NPD9373 Approved
0.7785 Intermediate Similarity NPD186 Discovery
0.7785 Intermediate Similarity NPD195 Approved
0.7744 Intermediate Similarity NPD4716 Approved
0.7697 Intermediate Similarity NPD4744 Clinical (unspecified phase)
0.7597 Intermediate Similarity NPD1369 Phase 2
0.7597 Intermediate Similarity NPD1750 Clinical (unspecified phase)
0.7568 Intermediate Similarity NPD1431 Approved
0.7568 Intermediate Similarity NPD1430 Approved
0.7564 Intermediate Similarity NPD219 Phase 3
0.7564 Intermediate Similarity NPD216 Approved
0.7564 Intermediate Similarity NPD220 Clinical (unspecified phase)
0.7564 Intermediate Similarity NPD218 Approved
0.7564 Intermediate Similarity NPD217 Approved
0.7564 Intermediate Similarity NPD2624 Phase 2
0.7517 Intermediate Similarity NPD185 Approved
0.75 Intermediate Similarity NPD775 Approved
0.7484 Intermediate Similarity NPD3107 Discontinued
0.7455 Intermediate Similarity NPD4171 Clinical (unspecified phase)
0.7453 Intermediate Similarity NPD7988 Suspended
0.7452 Intermediate Similarity NPD1732 Phase 3
0.7452 Intermediate Similarity NPD2646 Discontinued
0.7417 Intermediate Similarity NPD166 Approved
0.741 Intermediate Similarity NPD1412 Clinical (unspecified phase)
0.7388 Intermediate Similarity NPD9375 Discontinued
0.7383 Intermediate Similarity NPD193 Suspended
0.7372 Intermediate Similarity NPD214 Approved
0.7372 Intermediate Similarity NPD213 Clinical (unspecified phase)
0.7365 Intermediate Similarity NPD1808 Phase 1
0.7267 Intermediate Similarity NPD3083 Approved
0.723 Intermediate Similarity NPD1121 Approved
0.723 Intermediate Similarity NPD1120 Approved
0.7209 Intermediate Similarity NPD6417 Clinical (unspecified phase)
0.7153 Intermediate Similarity NPD515 Phase 1
0.7126 Intermediate Similarity NPD2632 Approved
0.7126 Intermediate Similarity NPD2631 Clinical (unspecified phase)
0.7126 Intermediate Similarity NPD2630 Approved
0.7115 Intermediate Similarity NPD548 Clinical (unspecified phase)
0.7089 Intermediate Similarity NPD9605 Phase 3
0.6989 Remote Similarity NPD4054 Clinical (unspecified phase)
0.6988 Remote Similarity NPD2647 Phase 3
0.6978 Remote Similarity NPD9584 Phase 2
0.695 Remote Similarity NPD9360 Approved
0.6918 Remote Similarity NPD7842 Phase 2
0.6882 Remote Similarity NPD5666 Phase 2
0.6831 Remote Similarity NPD237 Clinical (unspecified phase)
0.6815 Remote Similarity NPD9626 Clinical (unspecified phase)
0.68 Remote Similarity NPD1692 Approved
0.6741 Remote Similarity NPD8837 Clinical (unspecified phase)
0.6712 Remote Similarity NPD798 Discontinued
0.6707 Remote Similarity NPD546 Clinical (unspecified phase)
0.6684 Remote Similarity NPD6381 Phase 2
0.6667 Remote Similarity NPD248 Discontinued
0.6648 Remote Similarity NPD2152 Clinical (unspecified phase)
0.6646 Remote Similarity NPD7158 Phase 1
0.6642 Remote Similarity NPD9291 Approved
0.6627 Remote Similarity NPD1777 Approved
0.6627 Remote Similarity NPD1776 Approved
0.66 Remote Similarity NPD9633 Phase 3
0.6594 Remote Similarity NPD1816 Clinical (unspecified phase)
0.6587 Remote Similarity NPD516 Clinical (unspecified phase)
0.6536 Remote Similarity NPD5683 Clinical (unspecified phase)
0.6536 Remote Similarity NPD5682 Phase 3
0.6536 Remote Similarity NPD5684 Clinical (unspecified phase)
0.6533 Remote Similarity NPD870 Clinical (unspecified phase)
0.651 Remote Similarity NPD9408 Phase 3
0.6482 Remote Similarity NPD6036 Suspended
0.6429 Remote Similarity NPD9416 Phase 3
0.6429 Remote Similarity NPD9417 Phase 3
0.6409 Remote Similarity NPD7138 Phase 2
0.6301 Remote Similarity NPD1368 Approved
0.6289 Remote Similarity NPD3695 Approved
0.6289 Remote Similarity NPD3696 Approved
0.6264 Remote Similarity NPD1063 Phase 2
0.6218 Remote Similarity NPD5340 Clinical (unspecified phase)
0.6194 Remote Similarity NPD282 Approved
0.6178 Remote Similarity NPD1119 Phase 2
0.6145 Remote Similarity NPD3708 Phase 2
0.6104 Remote Similarity NPD1356 Approved
0.6104 Remote Similarity NPD1354 Approved
0.6104 Remote Similarity NPD1355 Clinical (unspecified phase)
0.609 Remote Similarity NPD9650 Phase 3
0.6078 Remote Similarity NPD4812 Phase 1
0.607 Remote Similarity NPD5080 Phase 2
0.6069 Remote Similarity NPD5768 Phase 2
0.6061 Remote Similarity NPD7531 Clinical (unspecified phase)
0.6054 Remote Similarity NPD9406 Approved
0.6051 Remote Similarity NPD2877 Clinical (unspecified phase)
0.6051 Remote Similarity NPD2876 Phase 3
0.6049 Remote Similarity NPD2253 Discontinued
0.6037 Remote Similarity NPD171 Discontinued
0.602 Remote Similarity NPD5079 Phase 2
0.6 Remote Similarity NPD2965 Clinical (unspecified phase)
0.5991 Remote Similarity NPD7486 Phase 1
0.599 Remote Similarity NPD2824 Phase 2
0.599 Remote Similarity NPD5665 Clinical (unspecified phase)
0.5976 Remote Similarity NPD231 Clinical (unspecified phase)
0.5976 Remote Similarity NPD4240 Approved
0.5943 Remote Similarity NPD6840 Approved
0.5934 Remote Similarity NPD1046 Clinical (unspecified phase)
0.593 Remote Similarity NPD3697 Discontinued
0.5897 Remote Similarity NPD1127 Approved
0.5897 Remote Similarity NPD1128 Approved
0.589 Remote Similarity NPD1118 Discontinued
0.5871 Remote Similarity NPD281 Approved
0.5838 Remote Similarity NPD2604 Approved
0.5818 Remote Similarity NPD1117 Clinical (unspecified phase)
0.58 Remote Similarity NPD3139 Phase 3
0.5756 Remote Similarity NPD1731 Clinical (unspecified phase)
0.5745 Remote Similarity NPD1454 Phase 3
0.5745 Remote Similarity NPD1455 Phase 3
0.5741 Remote Similarity NPD535 Approved
0.5733 Remote Similarity NPD3138 Phase 3
0.5723 Remote Similarity NPD2180 Approved
0.5714 Remote Similarity NPD284 Phase 1
0.5714 Remote Similarity NPD1730 Discontinued
0.5714 Remote Similarity NPD2902 Phase 2
0.5714 Remote Similarity NPD2903 Clinical (unspecified phase)
0.5714 Remote Similarity NPD4599 Clinical (unspecified phase)
0.5693 Remote Similarity NPD4495 Phase 1
0.5625 Remote Similarity NPD8829 Clinical (unspecified phase)
0.5625 Remote Similarity NPD1061 Clinical (unspecified phase)
0.5621 Remote Similarity NPD578 Discontinued
0.5617 Remote Similarity NPD9083 Clinical (unspecified phase)
0.5616 Remote Similarity NPD9415 Clinical (unspecified phase)
0.5605 Remote Similarity NPD9084 Phase 2

Structure

External Identifiers

PubChem CID   6452088
ChEMBL   CHEMBL2364560
ZINC  

Physicochemical Properties

Molecular Weight:  363.06
ALogP:  -2.151
MLogP:  1.02
XLogP:  -3.301
# Rotatable Bonds:  9
Polar Surface Area:  212.55
# H-Bond Aceptor:  13
# H-Bond Donor:  7
# Rings:  3
# Heavy Atoms:  24

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Similar NPs/Drugs