Organism ID | Organism Name | Taxonomy Level | Family | SuperKingdom | Isolation Part | Collection Location | Collection Time | Reference |
---|---|---|---|---|---|---|---|---|
NPO14351 | Streptomyces citricolor | Species | Streptomycetaceae | Bacteria | StreptomeDB* | |||
NPO6752 | Melandryum firmum | NA | NA | NA | TM-MC* | |||
NPO829 | Vaccaria hispanica | Species | Caryophyllaceae | Eukaryota | TM-MC* |
Target ID | Target Type | Target Name | Target Organism | Activity Type | Activity Relation | Value | Unit | Reference |
---|---|---|---|---|---|---|---|---|
NPT168 | Cell Line | P388 | Mus musculus | IC50 | = | 0.5 | ug/ml | 1433208 |
NPT168 | Cell Line | P388 | Mus musculus | Inhibition | = | 100 | % | 2157013 |
NPT912 | Individual Protein | Adenosylhomocysteinase | Homo sapiens | Inhibition | = | 99 | % | 3981539 |
NPT1460 | Cell Line | L929 | Mus musculus | Inhibition | = | 65 | % | 3981539 |
NPT912 | Individual Protein | Adenosylhomocysteinase | Homo sapiens | Ki | = | 110 | nM | 3981539 |
NPT4058 | Individual Protein | Adenosine deaminase | Mus musculus | Ki | = | 9900 | nM | 6481772 |
NPT32 | Organism | Mus musculus | Mus musculus | ED50 | = | 0.067 | nM | 6481772 |
NPT1315 | Individual Protein | Adenosine A1 receptor | Rattus norvegicus | Ki | = | 6260 | nM | 10841798 |
NPT1316 | Individual Protein | Adenosine A2a receptor | Rattus norvegicus | Ki | = | 2150 | nM | 10841798 |
NPT4059 | Individual Protein | Adenosine A2b receptor | Homo sapiens | Ki | = | 47300 | nM | 10841798 |
NPT1760 | Individual Protein | Adenosine A3 receptor | Rattus norvegicus | Ki | = | 20000 | nM | 10841798 |
NPT2555 | Others | Adenosine receptors; A1 & A3 | Rattus norvegicus | Ratio | = | 0.31 | 10841798 | |
NPT1760 | Individual Protein | Adenosine A3 receptor | Rattus norvegicus | Ki | = | 200000 | nM | 7707320 |
NPT912 | Individual Protein | Adenosylhomocysteinase | Homo sapiens | IC50 | = | 4850 | nM | 18295495 |
NPT4060 | Individual Protein | Adenosylhomocysteinase | Plasmodium falciparum 3D7 | IC50 | = | 57000 | nM | 18295495 |
NPT2 | Others | Unspecified | Ratio IC50 | = | 0.085 | 18295495 | ||
NPT2 | Others | Unspecified | Activity | = | 22.4 | % | 18295495 | |
NPT1019 | Organism | Trichomonas vaginalis | Trichomonas vaginalis | IC50 | = | 10000 | nM | 21044841 |
NPT1019 | Organism | Trichomonas vaginalis | Trichomonas vaginalis | GI | = | 95 | % | 21044841 |
NPT1019 | Organism | Trichomonas vaginalis | Trichomonas vaginalis | IC50 | = | 3 | ug/ml | 21044841 |
NPT912 | Individual Protein | Adenosylhomocysteinase | Homo sapiens | IC50 | = | 303 | nM | 24813734 |
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 NPC93365 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 |
---|---|---|
0.8456 | Intermediate Similarity | NPC21448 |
0.8456 | Intermediate Similarity | NPC156461 |
0.8456 | Intermediate Similarity | NPC107374 |
0.8446 | Intermediate Similarity | NPC229974 |
0.84 | Intermediate Similarity | NPC189068 |
0.84 | Intermediate Similarity | NPC164665 |
0.8344 | Intermediate Similarity | NPC219313 |
0.8344 | Intermediate Similarity | NPC269827 |
0.8344 | Intermediate Similarity | NPC309832 |
0.8311 | Intermediate Similarity | NPC161659 |
0.8311 | Intermediate Similarity | NPC209525 |
0.8243 | Intermediate Similarity | NPC129756 |
0.82 | Intermediate Similarity | NPC314152 |
0.8188 | Intermediate Similarity | NPC317821 |
0.8129 | Intermediate Similarity | NPC185991 |
0.8129 | Intermediate Similarity | NPC211025 |
0.8129 | Intermediate Similarity | NPC85689 |
0.8077 | Intermediate Similarity | NPC321814 |
0.8077 | Intermediate Similarity | NPC472816 |
0.8054 | Intermediate Similarity | NPC33996 |
0.8025 | Intermediate Similarity | NPC164952 |
0.8025 | Intermediate Similarity | NPC212551 |
0.8025 | Intermediate Similarity | NPC130586 |
0.8025 | Intermediate Similarity | NPC302778 |
0.7987 | Intermediate Similarity | NPC239737 |
0.7975 | Intermediate Similarity | NPC174802 |
0.7935 | Intermediate Similarity | NPC121222 |
0.7925 | Intermediate Similarity | NPC224076 |
0.7875 | Intermediate Similarity | NPC226245 |
0.7875 | Intermediate Similarity | NPC316618 |
0.7848 | Intermediate Similarity | NPC207633 |
0.7798 | Intermediate Similarity | NPC313897 |
0.7785 | Intermediate Similarity | NPC161224 |
0.7771 | Intermediate Similarity | NPC136349 |
0.7722 | Intermediate Similarity | NPC150853 |
0.7654 | Intermediate Similarity | NPC54320 |
0.7654 | Intermediate Similarity | NPC311197 |
0.7654 | Intermediate Similarity | NPC313754 |
0.7636 | Intermediate Similarity | NPC323091 |
0.7625 | Intermediate Similarity | NPC328479 |
0.7607 | Intermediate Similarity | NPC195140 |
0.7593 | Intermediate Similarity | NPC52238 |
0.756 | Intermediate Similarity | NPC290959 |
0.7451 | Intermediate Similarity | NPC320818 |
0.7442 | Intermediate Similarity | NPC189261 |
0.7337 | Intermediate Similarity | NPC261595 |
0.7294 | Intermediate Similarity | NPC321458 |
0.7294 | Intermediate Similarity | NPC324033 |
0.7283 | Intermediate Similarity | NPC326529 |
0.7278 | Intermediate Similarity | NPC324484 |
0.7241 | Intermediate Similarity | NPC324198 |
0.7241 | Intermediate Similarity | NPC319100 |
0.7235 | Intermediate Similarity | NPC325906 |
0.7151 | Intermediate Similarity | NPC326082 |
0.7006 | Intermediate Similarity | NPC61198 |
0.7 | Intermediate Similarity | NPC24589 |
0.6978 | Remote Similarity | NPC282458 |
0.6978 | Remote Similarity | NPC78941 |
0.6978 | Remote Similarity | NPC313514 |
0.6943 | Remote Similarity | NPC262926 |
0.6886 | Remote Similarity | NPC321052 |
0.6813 | Remote Similarity | NPC30326 |
0.6772 | Remote Similarity | NPC319221 |
0.6768 | Remote Similarity | NPC89147 |
0.6768 | Remote Similarity | NPC274384 |
0.6709 | Remote Similarity | NPC324009 |
0.6707 | Remote Similarity | NPC211820 |
0.6707 | Remote Similarity | NPC251233 |
0.6706 | Remote Similarity | NPC472834 |
0.6687 | Remote Similarity | NPC186619 |
0.6667 | Remote Similarity | NPC177169 |
0.6648 | Remote Similarity | NPC33382 |
0.6632 | Remote Similarity | NPC276373 |
0.6627 | Remote Similarity | NPC232408 |
0.6627 | Remote Similarity | NPC64705 |
0.661 | Remote Similarity | NPC125659 |
0.661 | Remote Similarity | NPC168702 |
0.6606 | Remote Similarity | NPC318590 |
0.6604 | Remote Similarity | NPC57279 |
0.6598 | Remote Similarity | NPC5802 |
0.6568 | Remote Similarity | NPC326694 |
0.6566 | Remote Similarity | NPC317746 |
0.6564 | Remote Similarity | NPC157821 |
0.6545 | Remote Similarity | NPC74306 |
0.6545 | Remote Similarity | NPC315642 |
0.6536 | Remote Similarity | NPC222174 |
0.6483 | Remote Similarity | NPC476564 |
0.6478 | Remote Similarity | NPC246193 |
0.6439 | Remote Similarity | NPC250178 |
0.6393 | Remote Similarity | NPC164845 |
0.6389 | Remote Similarity | NPC174114 |
0.6389 | Remote Similarity | NPC87981 |
0.6375 | Remote Similarity | NPC104011 |
0.6369 | Remote Similarity | NPC248007 |
0.6328 | Remote Similarity | NPC321393 |
0.631 | Remote Similarity | NPC217656 |
0.6292 | Remote Similarity | NPC14590 |
0.6272 | Remote Similarity | NPC89139 |
0.6267 | Remote Similarity | NPC4837 |
0.6267 | Remote Similarity | NPC312187 |
0.6265 | Remote Similarity | NPC296437 |
0.6258 | Remote Similarity | NPC327579 |
0.6228 | Remote Similarity | NPC470266 |
0.6215 | Remote Similarity | NPC160666 |
0.6178 | Remote Similarity | NPC139776 |
0.6173 | Remote Similarity | NPC287876 |
0.6163 | Remote Similarity | NPC244700 |
0.6154 | Remote Similarity | NPC476528 |
0.6154 | Remote Similarity | NPC476433 |
0.615 | Remote Similarity | NPC103388 |
0.6118 | Remote Similarity | NPC476520 |
0.6118 | Remote Similarity | NPC474986 |
0.6118 | Remote Similarity | NPC476522 |
0.6118 | Remote Similarity | NPC476013 |
0.6111 | Remote Similarity | NPC14330 |
0.6105 | Remote Similarity | NPC476408 |
0.6102 | Remote Similarity | NPC472833 |
0.6082 | Remote Similarity | NPC476521 |
0.6073 | Remote Similarity | NPC265111 |
0.604 | Remote Similarity | NPC18335 |
0.6032 | Remote Similarity | NPC473585 |
0.6 | Remote Similarity | NPC472832 |
0.6 | Remote Similarity | NPC18308 |
0.6 | Remote Similarity | NPC107160 |
0.5991 | Remote Similarity | NPC21461 |
0.5982 | Remote Similarity | NPC158055 |
0.5901 | Remote Similarity | NPC109322 |
0.5823 | Remote Similarity | NPC68938 |
0.5741 | Remote Similarity | NPC5707 |
0.5732 | Remote Similarity | NPC313547 |
0.5625 | Remote Similarity | NPC189314 |
Similarity level is defined by Tanimoto coefficient (Tc) between two molecules.
●  The left chart: Distribution of similarity level between NPC93365 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 | NPD546 | Clinical (unspecified phase) |
0.8456 | Intermediate Similarity | NPD250 | Approved |
0.8456 | Intermediate Similarity | NPD249 | Approved |
0.8377 | Intermediate Similarity | NPD1750 | Clinical (unspecified phase) |
0.8344 | Intermediate Similarity | NPD186 | Discovery |
0.8344 | Intermediate Similarity | NPD195 | Approved |
0.8322 | Intermediate Similarity | NPD248 | Discontinued |
0.8291 | Intermediate Similarity | NPD516 | Clinical (unspecified phase) |
0.82 | Intermediate Similarity | NPD185 | Approved |
0.8148 | Intermediate Similarity | NPD2647 | Phase 3 |
0.8141 | Intermediate Similarity | NPD1369 | Phase 2 |
0.8141 | Intermediate Similarity | NPD3107 | Discontinued |
0.8129 | Intermediate Similarity | NPD353 | Discontinued |
0.8129 | Intermediate Similarity | NPD283 | Approved |
0.8101 | Intermediate Similarity | NPD2624 | Phase 2 |
0.8101 | Intermediate Similarity | NPD1732 | Phase 3 |
0.8101 | Intermediate Similarity | NPD2646 | Discontinued |
0.8092 | Intermediate Similarity | NPD166 | Approved |
0.8067 | Intermediate Similarity | NPD193 | Suspended |
0.8025 | Intermediate Similarity | NPD242 | Approved |
0.8025 | Intermediate Similarity | NPD338 | Approved |
0.7975 | Intermediate Similarity | NPD339 | Approved |
0.7925 | Intermediate Similarity | NPD169 | Phase 2 |
0.7798 | Intermediate Similarity | NPD5666 | Phase 2 |
0.7771 | Intermediate Similarity | NPD548 | Clinical (unspecified phase) |
0.7687 | Intermediate Similarity | NPD870 | Clinical (unspecified phase) |
0.7654 | Intermediate Similarity | NPD220 | Clinical (unspecified phase) |
0.7654 | Intermediate Similarity | NPD219 | Phase 3 |
0.7654 | Intermediate Similarity | NPD217 | Approved |
0.7654 | Intermediate Similarity | NPD218 | Approved |
0.7654 | Intermediate Similarity | NPD216 | Approved |
0.76 | Intermediate Similarity | NPD5683 | Clinical (unspecified phase) |
0.76 | Intermediate Similarity | NPD5684 | Clinical (unspecified phase) |
0.76 | Intermediate Similarity | NPD5682 | Phase 3 |
0.7595 | Intermediate Similarity | NPD775 | Approved |
0.7578 | Intermediate Similarity | NPD213 | Clinical (unspecified phase) |
0.7578 | Intermediate Similarity | NPD214 | Approved |
0.744 | Intermediate Similarity | NPD7988 | Suspended |
0.7337 | Intermediate Similarity | NPD247 | Clinical (unspecified phase) |
0.7241 | Intermediate Similarity | NPD4171 | Clinical (unspecified phase) |
0.7235 | Intermediate Similarity | NPD1776 | Approved |
0.7235 | Intermediate Similarity | NPD1777 | Approved |
0.7216 | Intermediate Similarity | NPD4716 | Approved |
0.72 | Intermediate Similarity | NPD1412 | Clinical (unspecified phase) |
0.7175 | Intermediate Similarity | NPD4744 | Clinical (unspecified phase) |
0.7143 | Intermediate Similarity | NPD547 | Clinical (unspecified phase) |
0.7124 | Intermediate Similarity | NPD9632 | Phase 3 |
0.7118 | Intermediate Similarity | NPD527 | Clinical (unspecified phase) |
0.7111 | Intermediate Similarity | NPD6417 | Clinical (unspecified phase) |
0.7097 | Intermediate Similarity | NPD1058 | Discontinued |
0.7095 | Intermediate Similarity | NPD1692 | Approved |
0.7081 | Intermediate Similarity | NPD7158 | Phase 1 |
0.7059 | Intermediate Similarity | NPD3083 | Approved |
0.7059 | Intermediate Similarity | NPD9633 | Phase 3 |
0.7006 | Intermediate Similarity | NPD252 | Clinical (unspecified phase) |
0.6978 | Remote Similarity | NPD7138 | Phase 2 |
0.6974 | Remote Similarity | NPD9408 | Phase 3 |
0.697 | Remote Similarity | NPD3708 | Phase 2 |
0.6923 | Remote Similarity | NPD545 | Clinical (unspecified phase) |
0.6848 | Remote Similarity | NPD2631 | Clinical (unspecified phase) |
0.6848 | Remote Similarity | NPD2630 | Approved |
0.6848 | Remote Similarity | NPD2632 | Approved |
0.6835 | Remote Similarity | NPD194 | Clinical (unspecified phase) |
0.6832 | Remote Similarity | NPD549 | Approved |
0.681 | Remote Similarity | NPD3849 | Clinical (unspecified phase) |
0.6788 | Remote Similarity | NPD2965 | Clinical (unspecified phase) |
0.6753 | Remote Similarity | NPD2876 | Phase 3 |
0.6753 | Remote Similarity | NPD2877 | Clinical (unspecified phase) |
0.6689 | Remote Similarity | NPD307 | Approved |
0.6686 | Remote Similarity | NPD536 | Clinical (unspecified phase) |
0.6684 | Remote Similarity | NPD2824 | Phase 2 |
0.6633 | Remote Similarity | NPD2902 | Phase 2 |
0.6633 | Remote Similarity | NPD2903 | Clinical (unspecified phase) |
0.656 | Remote Similarity | NPD5171 | Clinical (unspecified phase) |
0.6545 | Remote Similarity | NPD582 | Approved |
0.6524 | Remote Similarity | NPD3695 | Approved |
0.6524 | Remote Similarity | NPD3696 | Approved |
0.6491 | Remote Similarity | NPD231 | Clinical (unspecified phase) |
0.6455 | Remote Similarity | NPD4054 | Clinical (unspecified phase) |
0.642 | Remote Similarity | NPD1119 | Phase 2 |
0.64 | Remote Similarity | NPD4074 | Clinical (unspecified phase) |
0.6374 | Remote Similarity | NPD3085 | Phase 1 |
0.6369 | Remote Similarity | NPD9084 | Phase 2 |
0.6368 | Remote Similarity | NPD4495 | Phase 1 |
0.6337 | Remote Similarity | NPD3086 | Phase 3 |
0.6331 | Remote Similarity | NPD1730 | Discontinued |
0.6324 | Remote Similarity | NPD1046 | Clinical (unspecified phase) |
0.631 | Remote Similarity | NPD4240 | Approved |
0.6299 | Remote Similarity | NPD9606 | Approved |
0.6294 | Remote Similarity | NPD7531 | Clinical (unspecified phase) |
0.6287 | Remote Similarity | NPD2253 | Discontinued |
0.6258 | Remote Similarity | NPD9607 | Approved |
0.6258 | Remote Similarity | NPD209 | Clinical (unspecified phase) |
0.6235 | Remote Similarity | NPD282 | Approved |
0.6207 | Remote Similarity | NPD9605 | Phase 3 |
0.6184 | Remote Similarity | NPD5080 | Phase 2 |
0.6176 | Remote Similarity | NPD171 | Discontinued |
0.6173 | Remote Similarity | NPD8829 | Clinical (unspecified phase) |
0.6159 | Remote Similarity | NPD9083 | Clinical (unspecified phase) |
0.6154 | Remote Similarity | NPD1117 | Clinical (unspecified phase) |
0.6146 | Remote Similarity | NPD2152 | Clinical (unspecified phase) |
0.6135 | Remote Similarity | NPD5079 | Phase 2 |
0.6131 | Remote Similarity | NPD4458 | Phase 2 |
0.6131 | Remote Similarity | NPD4459 | Clinical (unspecified phase) |
0.6126 | Remote Similarity | NPD1063 | Phase 2 |
0.6111 | Remote Similarity | NPD5627 | Approved |
0.6108 | Remote Similarity | NPD1808 | Phase 1 |
0.6104 | Remote Similarity | NPD9374 | Approved |
0.6095 | Remote Similarity | NPD1430 | Approved |
0.6095 | Remote Similarity | NPD1431 | Approved |
0.6078 | Remote Similarity | NPD9373 | Approved |
0.6048 | Remote Similarity | NPD537 | Phase 2 |
0.6048 | Remote Similarity | NPD534 | Phase 2 |
0.6045 | Remote Similarity | NPD5172 | Phase 2 |
0.604 | Remote Similarity | NPD8836 | Approved |
0.6036 | Remote Similarity | NPD1118 | Discontinued |
0.6025 | Remote Similarity | NPD281 | Approved |
0.5988 | Remote Similarity | NPD515 | Phase 1 |
0.5982 | Remote Similarity | NPD7502 | Clinical (unspecified phase) |
0.5982 | Remote Similarity | NPD6840 | Approved |
0.5966 | Remote Similarity | NPD7842 | Phase 2 |
0.5951 | Remote Similarity | NPD1127 | Approved |
0.5951 | Remote Similarity | NPD1128 | Approved |
0.5942 | Remote Similarity | NPD4563 | Phase 2 |
0.5917 | Remote Similarity | NPD799 | Phase 1 |
0.5909 | Remote Similarity | NPD9375 | Discontinued |
0.5902 | Remote Similarity | NPD796 | Phase 2 |
0.5862 | Remote Similarity | NPD5486 | Discontinued |
0.5859 | Remote Similarity | NPD8250 | Phase 2 |
0.5858 | Remote Similarity | NPD6112 | Approved |
0.5854 | Remote Similarity | NPD1355 | Clinical (unspecified phase) |
0.5854 | Remote Similarity | NPD1354 | Approved |
0.5854 | Remote Similarity | NPD1356 | Approved |
0.5847 | Remote Similarity | NPD2593 | Clinical (unspecified phase) |
0.5833 | Remote Similarity | NPD9484 | Clinical (unspecified phase) |
0.5828 | Remote Similarity | NPD9626 | Clinical (unspecified phase) |
0.5822 | Remote Similarity | NPD4555 | Clinical (unspecified phase) |
0.5816 | Remote Similarity | NPD207 | Discontinued |
0.5813 | Remote Similarity | NPD9409 | Discontinued |
0.5801 | Remote Similarity | NPD5336 | Phase 1 |
0.5801 | Remote Similarity | NPD5337 | Phase 1 |
0.5799 | Remote Similarity | NPD1120 | Approved |
0.5799 | Remote Similarity | NPD1121 | Approved |
0.5777 | Remote Similarity | NPD5458 | Discontinued |
0.5767 | Remote Similarity | NPD3081 | Clinical (unspecified phase) |
0.5741 | Remote Similarity | NPD8830 | Phase 3 |
0.5728 | Remote Similarity | NPD1915 | Phase 1 |
0.5696 | Remote Similarity | NPD757 | Phase 3 |
0.5692 | Remote Similarity | NPD2457 | Phase 2 |
0.5692 | Remote Similarity | NPD2456 | Phase 2 |
0.5646 | Remote Similarity | NPD4612 | Discontinued |
0.5635 | Remote Similarity | NPD3913 | Clinical (unspecified phase) |
0.5628 | Remote Similarity | NPD3697 | Discontinued |
0.5625 | Remote Similarity | NPD8833 | Approved |
0.5625 | Remote Similarity | NPD8831 | Approved |
0.5616 | Remote Similarity | NPD5703 | Discontinued |
0.561 | Remote Similarity | NPD798 | Discontinued |
0.5602 | Remote Similarity | NPD1085 | Approved |
0.5602 | Remote Similarity | NPD1775 | Approved |
0.56 | Remote Similarity | NPD2179 | Discontinued |
PubChem CID   | 65269 |
ChEMBL   | CHEMBL49935 |
ZINC   |
Molecular Weight:   | 265.12 |
ALogP:   | -2.3077 |
MLogP:   | 1.79 |
XLogP:   | -1.203 |
# Rotatable Bonds:   | 6 |
Polar Surface Area:   | 130.31 |
# H-Bond Aceptor:   | 8 |
# H-Bond Donor:   | 4 |
# Rings:   | 3 |
# Heavy Atoms:   | 19 |