Natural Product: NPC232408

Natural Product ID:  NPC232408
Common Name:   3'-Dgtp
IUPAC Name:   [[(2S,4R,5R)-5-(2-amino-6-oxo-3H-purin-9-yl)-4-hydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl] phosphono hydrogen phosphate
Synonyms:   3'-dGTP
Molecular Formula:   C10H16N5O13P3
Standard InCHIKey:  QGYIFQKZZSSUCR-OBXARNEKSA-N
Standard InCHI:  InChI=1S/C10H16N5O13P3/c11-10-13-7-6(8(17)14-10)12-3-15(7)9-5(16)1-4(26-9)2-25-30(21,22)28-31(23,24)27-29(18,19)20/h3-5,9,16H,1-2H2,(H,21,22)(H,23,24)(H2,18,19,20)(H3,11,13,14,17)/t4-,5+,9+/m0/s1
Canonical SMILES:  O[C@@H]1C[C@H](O[C@H]1n1cnc2c1[nH]c(=N)nc2O)COP(=O)(OP(=O)(OP(=O)(O)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
NPO11348 Cryptocarya chartacea Species Lauraceae Eukaryota bark PMID[22050318]

  Biological Activity

Target ID Target Type Target Name Target Organism Activity Type Activity Relation Value Unit Reference
NPT2 Others Unspecified IC50 < 1000 nM PubChem BioAssay data set
NPT2 Others Unspecified IC50 = 20 nM 15921421
NPT2 Others Unspecified IC50 = 20 nM 17088479

  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 NPC232408 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 NPC64705
0.9925 High Similarity NPC177169
0.9925 High Similarity NPC317746
0.985 High Similarity NPC211820
0.985 High Similarity NPC251233
0.985 High Similarity NPC318590
0.9699 High Similarity NPC186619
0.963 High Similarity NPC274384
0.963 High Similarity NPC89147
0.9474 High Similarity NPC30326
0.9323 High Similarity NPC61198
0.9248 High Similarity NPC262926
0.9048 High Similarity NPC14590
0.903 High Similarity NPC319221
0.8955 High Similarity NPC324009
0.8623 High Similarity NPC320818
0.8389 Intermediate Similarity NPC174802
0.8322 Intermediate Similarity NPC130586
0.8322 Intermediate Similarity NPC164952
0.8278 Intermediate Similarity NPC226245
0.8264 Intermediate Similarity NPC315642
0.8264 Intermediate Similarity NPC74306
0.8195 Intermediate Similarity NPC327579
0.8188 Intermediate Similarity NPC161224
0.8188 Intermediate Similarity NPC211025
0.8188 Intermediate Similarity NPC185991
0.8188 Intermediate Similarity NPC85689
0.8133 Intermediate Similarity NPC321814
0.8121 Intermediate Similarity NPC326694
0.8079 Intermediate Similarity NPC302778
0.8079 Intermediate Similarity NPC212551
0.8039 Intermediate Similarity NPC316618
0.8013 Intermediate Similarity NPC323091
0.7987 Intermediate Similarity NPC121222
0.7975 Intermediate Similarity NPC324033
0.7975 Intermediate Similarity NPC321458
0.7974 Intermediate Similarity NPC224076
0.7911 Intermediate Similarity NPC261595
0.7785 Intermediate Similarity NPC107374
0.7785 Intermediate Similarity NPC21448
0.7785 Intermediate Similarity NPC156461
0.7733 Intermediate Similarity NPC164665
0.7733 Intermediate Similarity NPC189068
0.7683 Intermediate Similarity NPC189261
0.7682 Intermediate Similarity NPC309832
0.7682 Intermediate Similarity NPC269827
0.7682 Intermediate Similarity NPC219313
0.7651 Intermediate Similarity NPC229974
0.7622 Intermediate Similarity NPC326529
0.7576 Intermediate Similarity NPC324198
0.7576 Intermediate Similarity NPC319100
0.7548 Intermediate Similarity NPC321052
0.7517 Intermediate Similarity NPC209525
0.7517 Intermediate Similarity NPC161659
0.7485 Intermediate Similarity NPC326082
0.7468 Intermediate Similarity NPC313754
0.7468 Intermediate Similarity NPC54320
0.7468 Intermediate Similarity NPC311197
0.7468 Intermediate Similarity NPC239737
0.7436 Intermediate Similarity NPC472816
0.7417 Intermediate Similarity NPC314152
0.7405 Intermediate Similarity NPC52238
0.74 Intermediate Similarity NPC317821
0.7308 Intermediate Similarity NPC150853
0.7215 Intermediate Similarity NPC207633
0.7105 Intermediate Similarity NPC129756
0.7025 Intermediate Similarity NPC136349
0.7 Intermediate Similarity NPC328479
0.689 Remote Similarity NPC195140
0.6818 Remote Similarity NPC33996
0.6809 Remote Similarity NPC313547
0.6686 Remote Similarity NPC324484
0.6667 Remote Similarity NPC290959
0.6647 Remote Similarity NPC325906
0.6642 Remote Similarity NPC59314
0.6627 Remote Similarity NPC93365
0.6609 Remote Similarity NPC313897
0.6547 Remote Similarity NPC119133
0.6503 Remote Similarity NPC41958
0.6429 Remote Similarity NPC313514
0.6423 Remote Similarity NPC293163
0.6354 Remote Similarity NPC24589
0.6339 Remote Similarity NPC78941
0.6339 Remote Similarity NPC282458
0.6301 Remote Similarity NPC63433
0.6286 Remote Similarity NPC10466
0.625 Remote Similarity NPC222174
0.6214 Remote Similarity NPC107160
0.6202 Remote Similarity NPC21461
0.6159 Remote Similarity NPC320256
0.6127 Remote Similarity NPC321393
0.608 Remote Similarity NPC33382
0.6051 Remote Similarity NPC157821
0.6045 Remote Similarity NPC125659
0.6045 Remote Similarity NPC168702
0.6038 Remote Similarity NPC158055
0.6031 Remote Similarity NPC276373
0.6 Remote Similarity NPC5802
0.5894 Remote Similarity NPC240084
0.5887 Remote Similarity NPC328914
0.5874 Remote Similarity NPC250178
0.586 Remote Similarity NPC180462
0.5857 Remote Similarity NPC328779
0.5786 Remote Similarity NPC120887
0.5774 Remote Similarity NPC174020
0.5747 Remote Similarity NPC60537
0.5714 Remote Similarity NPC6166
0.5714 Remote Similarity NPC226769
0.5714 Remote Similarity NPC280946
0.5679 Remote Similarity NPC57279
0.5669 Remote Similarity NPC109322
0.5663 Remote Similarity NPC210947
0.565 Remote Similarity NPC103388
0.5643 Remote Similarity NPC329384
0.5636 Remote Similarity NPC470141

  Similar Clinical/Approved Drugs

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

●  The left chart: Distribution of similarity level between NPC232408 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
0.9357 High Similarity NPD3086 Phase 3
0.9323 High Similarity NPD252 Clinical (unspecified phase)
0.9286 High Similarity NPD3085 Phase 1
0.9103 High Similarity NPD4074 Clinical (unspecified phase)
0.8963 High Similarity NPD194 Clinical (unspecified phase)
0.8947 High Similarity NPD9632 Phase 3
0.8913 High Similarity NPD549 Approved
0.8389 Intermediate Similarity NPD339 Approved
0.8322 Intermediate Similarity NPD338 Approved
0.8264 Intermediate Similarity NPD582 Approved
0.8195 Intermediate Similarity NPD9607 Approved
0.8188 Intermediate Similarity NPD283 Approved
0.812 Intermediate Similarity NPD9606 Approved
0.8079 Intermediate Similarity NPD242 Approved
0.8067 Intermediate Similarity NPD353 Discontinued
0.8 Intermediate Similarity NPD9409 Discontinued
0.7974 Intermediate Similarity NPD169 Phase 2
0.7958 Intermediate Similarity NPD209 Clinical (unspecified phase)
0.7911 Intermediate Similarity NPD247 Clinical (unspecified phase)
0.7895 Intermediate Similarity NPD9374 Approved
0.7887 Intermediate Similarity NPD545 Clinical (unspecified phase)
0.7866 Intermediate Similarity NPD4716 Approved
0.7818 Intermediate Similarity NPD4744 Clinical (unspecified phase)
0.7794 Intermediate Similarity NPD307 Approved
0.7785 Intermediate Similarity NPD250 Approved
0.7785 Intermediate Similarity NPD249 Approved
0.7778 Intermediate Similarity NPD536 Clinical (unspecified phase)
0.7762 Intermediate Similarity NPD547 Clinical (unspecified phase)
0.7744 Intermediate Similarity NPD9373 Approved
0.7682 Intermediate Similarity NPD195 Approved
0.7682 Intermediate Similarity NPD186 Discovery
0.7613 Intermediate Similarity NPD1369 Phase 2
0.7613 Intermediate Similarity NPD1750 Clinical (unspecified phase)
0.7584 Intermediate Similarity NPD1431 Approved
0.7584 Intermediate Similarity NPD1430 Approved
0.758 Intermediate Similarity NPD2624 Phase 2
0.7576 Intermediate Similarity NPD4171 Clinical (unspecified phase)
0.753 Intermediate Similarity NPD1412 Clinical (unspecified phase)
0.75 Intermediate Similarity NPD3107 Discontinued
0.7469 Intermediate Similarity NPD7988 Suspended
0.7468 Intermediate Similarity NPD217 Approved
0.7468 Intermediate Similarity NPD220 Clinical (unspecified phase)
0.7468 Intermediate Similarity NPD219 Phase 3
0.7468 Intermediate Similarity NPD2646 Discontinued
0.7468 Intermediate Similarity NPD218 Approved
0.7468 Intermediate Similarity NPD1732 Phase 3
0.7468 Intermediate Similarity NPD216 Approved
0.7417 Intermediate Similarity NPD185 Approved
0.7403 Intermediate Similarity NPD775 Approved
0.7383 Intermediate Similarity NPD1808 Phase 1
0.7326 Intermediate Similarity NPD6417 Clinical (unspecified phase)
0.732 Intermediate Similarity NPD166 Approved
0.7285 Intermediate Similarity NPD193 Suspended
0.7284 Intermediate Similarity NPD3083 Approved
0.7279 Intermediate Similarity NPD9375 Discontinued
0.7278 Intermediate Similarity NPD213 Clinical (unspecified phase)
0.7278 Intermediate Similarity NPD214 Approved
0.7248 Intermediate Similarity NPD1121 Approved
0.7248 Intermediate Similarity NPD1120 Approved
0.7241 Intermediate Similarity NPD2632 Approved
0.7241 Intermediate Similarity NPD2631 Clinical (unspecified phase)
0.7241 Intermediate Similarity NPD2630 Approved
0.7055 Intermediate Similarity NPD515 Phase 1
0.7025 Intermediate Similarity NPD548 Clinical (unspecified phase)
0.7006 Intermediate Similarity NPD4054 Clinical (unspecified phase)
0.7006 Intermediate Similarity NPD2647 Phase 3
0.7 Intermediate Similarity NPD9605 Phase 3
0.6937 Remote Similarity NPD7842 Phase 2
0.6901 Remote Similarity NPD5666 Phase 2
0.6879 Remote Similarity NPD9584 Phase 2
0.6853 Remote Similarity NPD9360 Approved
0.6818 Remote Similarity NPD1692 Approved
0.6736 Remote Similarity NPD237 Clinical (unspecified phase)
0.6735 Remote Similarity NPD798 Discontinued
0.6715 Remote Similarity NPD9626 Clinical (unspecified phase)
0.6701 Remote Similarity NPD6381 Phase 2
0.6667 Remote Similarity NPD2152 Clinical (unspecified phase)
0.6667 Remote Similarity NPD7158 Phase 1
0.6647 Remote Similarity NPD1776 Approved
0.6647 Remote Similarity NPD1777 Approved
0.6642 Remote Similarity NPD8837 Clinical (unspecified phase)
0.6627 Remote Similarity NPD546 Clinical (unspecified phase)
0.6619 Remote Similarity NPD1816 Clinical (unspecified phase)
0.6579 Remote Similarity NPD248 Discontinued
0.6556 Remote Similarity NPD5682 Phase 3
0.6556 Remote Similarity NPD870 Clinical (unspecified phase)
0.6556 Remote Similarity NPD5683 Clinical (unspecified phase)
0.6556 Remote Similarity NPD5684 Clinical (unspecified phase)
0.6547 Remote Similarity NPD9291 Approved
0.6513 Remote Similarity NPD9633 Phase 3
0.6509 Remote Similarity NPD516 Clinical (unspecified phase)
0.65 Remote Similarity NPD6036 Suspended
0.6429 Remote Similarity NPD7138 Phase 2
0.6424 Remote Similarity NPD9408 Phase 3
0.6338 Remote Similarity NPD9416 Phase 3
0.6338 Remote Similarity NPD9417 Phase 3
0.6327 Remote Similarity NPD1368 Approved
0.6312 Remote Similarity NPD3696 Approved
0.6312 Remote Similarity NPD3695 Approved
0.6284 Remote Similarity NPD1063 Phase 2
0.6242 Remote Similarity NPD5340 Clinical (unspecified phase)
0.6203 Remote Similarity NPD1119 Phase 2
0.6168 Remote Similarity NPD3708 Phase 2
0.6129 Remote Similarity NPD1354 Approved
0.6129 Remote Similarity NPD1355 Clinical (unspecified phase)
0.6129 Remote Similarity NPD1356 Approved
0.6115 Remote Similarity NPD9650 Phase 3
0.6115 Remote Similarity NPD282 Approved
0.6104 Remote Similarity NPD4812 Phase 1
0.6092 Remote Similarity NPD5768 Phase 2
0.6089 Remote Similarity NPD5080 Phase 2
0.6084 Remote Similarity NPD7531 Clinical (unspecified phase)
0.6074 Remote Similarity NPD2253 Discontinued
0.6071 Remote Similarity NPD2877 Clinical (unspecified phase)
0.6071 Remote Similarity NPD2876 Phase 3
0.604 Remote Similarity NPD5079 Phase 2
0.6038 Remote Similarity NPD6840 Approved
0.602 Remote Similarity NPD2965 Clinical (unspecified phase)
0.601 Remote Similarity NPD2824 Phase 2
0.601 Remote Similarity NPD5665 Clinical (unspecified phase)
0.6009 Remote Similarity NPD7486 Phase 1
0.6 Remote Similarity NPD4240 Approved
0.5973 Remote Similarity NPD9406 Approved
0.5964 Remote Similarity NPD171 Discontinued
0.5956 Remote Similarity NPD1046 Clinical (unspecified phase)
0.5954 Remote Similarity NPD3697 Discontinued
0.5933 Remote Similarity NPD3139 Phase 3
0.5924 Remote Similarity NPD1128 Approved
0.5924 Remote Similarity NPD1127 Approved
0.5915 Remote Similarity NPD1118 Discontinued
0.5906 Remote Similarity NPD231 Clinical (unspecified phase)
0.5887 Remote Similarity NPD1454 Phase 3
0.5887 Remote Similarity NPD1455 Phase 3
0.5867 Remote Similarity NPD3138 Phase 3
0.5862 Remote Similarity NPD2604 Approved
0.5843 Remote Similarity NPD1117 Clinical (unspecified phase)
0.5796 Remote Similarity NPD281 Approved
0.578 Remote Similarity NPD1731 Clinical (unspecified phase)
0.5747 Remote Similarity NPD2180 Approved
0.574 Remote Similarity NPD1730 Discontinued
0.5736 Remote Similarity NPD4599 Clinical (unspecified phase)
0.5735 Remote Similarity NPD2902 Phase 2
0.5735 Remote Similarity NPD2903 Clinical (unspecified phase)
0.5714 Remote Similarity NPD4495 Phase 1
0.5671 Remote Similarity NPD535 Approved
0.5655 Remote Similarity NPD1061 Clinical (unspecified phase)
0.5649 Remote Similarity NPD578 Discontinued
0.5638 Remote Similarity NPD284 Phase 1

Structure

External Identifiers

PubChem CID   148770
ChEMBL   CHEMBL480707
ZINC  

Physicochemical Properties

Molecular Weight:  507.00
ALogP:  -2.4879
MLogP:  0.25
XLogP:  -5.158
# Rotatable Bonds:  14
Polar Surface Area:  305
# H-Bond Aceptor:  18
# H-Bond Donor:  8
# Rings:  3
# Heavy Atoms:  31

Download Data

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Similar NPs/Drugs