Organism ID | Organism Name | Taxonomy Level | Family | SuperKingdom | Isolation Part | Collection Location | Collection Time | Reference |
---|---|---|---|---|---|---|---|---|
NPO27707 | Soja hispida | Species | Fabaceae | Eukaryota | UNPD* | |||
NPO27012 | Laurencia pannosa | Species | Rhodomelaceae | Eukaryota | UNPD* | |||
NPO27191 | Schistochila appendiculata | Species | Schistochilaceae | Eukaryota | UNPD* | |||
NPO27688 | Aeonium goochiae | Species | Crassulaceae | Eukaryota | UNPD* | |||
NPO20208 | Rhinogobius brunneus | Species | Gobiidae | Eukaryota | UNPD* | |||
NPO22488 | Leptosphaeria oraemaris | Species | Leptosphaeriaceae | Eukaryota | UNPD* | |||
NPO11140 | Coprinopsis cinerea | Species | Psathyrellaceae | Eukaryota | UNPD* | |||
NPO27740 | Alcantara ekmaniana | NA | NA | NA | UNPD* | |||
NPO27569 | Archangelica officinalis | Species | Apiaceae | Eukaryota | UNPD* | |||
NPO26895 | Baccharis bigelovii | Species | Asteraceae | Eukaryota | UNPD* | |||
NPO7497 | Guatteria blepharophylla | Species | Annonaceae | Eukaryota | UNPD* | |||
NPO27323 | Cestrum nocturnum | Species | Solanaceae | Eukaryota | UNPD* | |||
NPO27262 | Dryopteris inaequalis | Species | Dryopteridaceae | Eukaryota | UNPD* | |||
NPO16500 | Byssochlamys spectabilis | Species | Thermoascaceae | Eukaryota | UNPD* | |||
NPO27648 | Cereus aethiops | Species | Cactaceae | Eukaryota | UNPD* | |||
NPO27773 | Rhododendron ovatum | Species | Ericaceae | Eukaryota | UNPD* | |||
NPO17223 | Agelas oroides | Species | Agelasidae | Eukaryota | UNPD* | |||
NPO27725 | Artemisia vestita | Species | Asteraceae | Eukaryota | UNPD* | |||
NPO27072 | Monochaetum vulcanicum | Species | Melastomataceae | Eukaryota | UNPD* |
Target ID | Target Type | Target Name | Target Organism | Activity Type | Activity Relation | Value | Unit | Reference |
---|---|---|---|---|---|---|---|---|
NPT1333 | Individual Protein | Enoyl-acyl-carrier protein reductase | Plasmodium falciparum | IC50 | > | 100 | ug/ml | 17765547 |
NPT6 | Organism | Plasmodium falciparum | Plasmodium falciparum | IC50 | > | 50 | ug/ml | 17765547 |
NPT844 | Organism | Trypanosoma brucei rhodesiense | Trypanosoma brucei rhodesiense | IC50 | = | 20.9 | ug/ml | 17765547 |
NPT580 | Organism | Trypanosoma cruzi | Trypanosoma cruzi | IC50 | > | 30 | ug/ml | 17765547 |
NPT633 | Organism | Leishmania donovani | Leishmania donovani | IC50 | = | 7.9 | ug/ml | 17765547 |
NPT839 | Cell Line | L6 | Rattus norvegicus | IC50 | > | 90 | ug/ml | 17765547 |
NPT2 | Others | Unspecified | Activity | = | 100 | % | 2530314 | |
NPT2 | Others | Unspecified | Activity | = | 40 | % | 2530314 | |
NPT2 | Others | Unspecified | Activity | = | 59 | % | 2530314 | |
NPT2 | Others | Unspecified | Activity | = | 31 | % | 2530314 | |
NPT2 | Others | Unspecified | Activity | = | 13 | % | 2530314 | |
NPT2 | Others | Unspecified | Activity | = | 0 | % | 2530314 | |
NPT2 | Others | Unspecified | Activity | = | 83 | % | 2530314 | |
NPT2 | Others | Unspecified | Activity | = | 99 | % | 2530314 | |
NPT2 | Others | Unspecified | Activity | = | 84 | % | 2530314 | |
NPT2 | Others | Unspecified | Activity | = | 64 | % | 2530314 | |
NPT2 | Others | Unspecified | Activity | = | 70 | % | 2530314 | |
NPT2 | Others | Unspecified | Activity | = | 29 | % | 2530314 | |
NPT2 | Others | Unspecified | Activity | = | 43 | % | 2530314 | |
NPT2 | Others | Unspecified | Activity | = | 39 | % | 2530314 | |
NPT2 | Others | Unspecified | Activity | = | 50 | % | 2530314 |
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 NPC52110 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 |
---|---|---|
0.9189 | High Similarity | NPC142688 |
0.8986 | High Similarity | NPC109158 |
0.8377 | Intermediate Similarity | NPC298288 |
0.8377 | Intermediate Similarity | NPC33229 |
0.8235 | Intermediate Similarity | NPC13432 |
0.8219 | Intermediate Similarity | NPC150592 |
0.8027 | Intermediate Similarity | NPC20021 |
0.7812 | Intermediate Similarity | NPC27296 |
0.7806 | Intermediate Similarity | NPC260041 |
0.7684 | Intermediate Similarity | NPC77061 |
0.7665 | Intermediate Similarity | NPC80528 |
0.7597 | Intermediate Similarity | NPC85443 |
0.7578 | Intermediate Similarity | NPC474236 |
0.7576 | Intermediate Similarity | NPC474383 |
0.7312 | Intermediate Similarity | NPC302159 |
0.7209 | Intermediate Similarity | NPC37268 |
0.7119 | Intermediate Similarity | NPC469814 |
0.7102 | Intermediate Similarity | NPC184932 |
0.7102 | Intermediate Similarity | NPC472861 |
0.7101 | Intermediate Similarity | NPC206148 |
0.7101 | Intermediate Similarity | NPC476418 |
0.7083 | Intermediate Similarity | NPC473706 |
0.7079 | Intermediate Similarity | NPC476423 |
0.7 | Intermediate Similarity | NPC306160 |
0.6994 | Remote Similarity | NPC302647 |
0.699 | Remote Similarity | NPC469717 |
0.6973 | Remote Similarity | NPC141454 |
0.6959 | Remote Similarity | NPC2414 |
0.6919 | Remote Similarity | NPC474696 |
0.6899 | Remote Similarity | NPC23215 |
0.6899 | Remote Similarity | NPC291517 |
0.6882 | Remote Similarity | NPC322644 |
0.6855 | Remote Similarity | NPC64661 |
0.6855 | Remote Similarity | NPC200397 |
0.6855 | Remote Similarity | NPC195704 |
0.6855 | Remote Similarity | NPC98156 |
0.6855 | Remote Similarity | NPC167200 |
0.6855 | Remote Similarity | NPC292434 |
0.6855 | Remote Similarity | NPC14448 |
0.6855 | Remote Similarity | NPC138596 |
0.6848 | Remote Similarity | NPC476413 |
0.6818 | Remote Similarity | NPC97106 |
0.6811 | Remote Similarity | NPC476414 |
0.68 | Remote Similarity | NPC273532 |
0.678 | Remote Similarity | NPC136441 |
0.6761 | Remote Similarity | NPC271927 |
0.6758 | Remote Similarity | NPC46022 |
0.6758 | Remote Similarity | NPC112489 |
0.6754 | Remote Similarity | NPC165599 |
0.6724 | Remote Similarity | NPC41717 |
0.6687 | Remote Similarity | NPC169308 |
0.6687 | Remote Similarity | NPC74928 |
0.6687 | Remote Similarity | NPC302717 |
0.6687 | Remote Similarity | NPC12831 |
0.6687 | Remote Similarity | NPC286529 |
0.6687 | Remote Similarity | NPC205604 |
0.6687 | Remote Similarity | NPC97230 |
0.6687 | Remote Similarity | NPC209281 |
0.6687 | Remote Similarity | NPC129753 |
0.6687 | Remote Similarity | NPC244087 |
0.6687 | Remote Similarity | NPC59839 |
0.6687 | Remote Similarity | NPC3698 |
0.6687 | Remote Similarity | NPC48171 |
0.6687 | Remote Similarity | NPC77582 |
0.6685 | Remote Similarity | NPC221873 |
0.6649 | Remote Similarity | NPC9635 |
0.6649 | Remote Similarity | NPC83111 |
0.6649 | Remote Similarity | NPC321428 |
0.6649 | Remote Similarity | NPC244741 |
0.6646 | Remote Similarity | NPC114033 |
0.6646 | Remote Similarity | NPC101130 |
0.6646 | Remote Similarity | NPC129412 |
0.6646 | Remote Similarity | NPC58268 |
0.6612 | Remote Similarity | NPC311282 |
0.661 | Remote Similarity | NPC227489 |
0.661 | Remote Similarity | NPC28096 |
0.661 | Remote Similarity | NPC476421 |
0.661 | Remote Similarity | NPC226835 |
0.661 | Remote Similarity | NPC54214 |
0.6596 | Remote Similarity | NPC46811 |
0.6592 | Remote Similarity | NPC476419 |
0.6582 | Remote Similarity | NPC325297 |
0.6576 | Remote Similarity | NPC63571 |
0.6576 | Remote Similarity | NPC111566 |
0.655 | Remote Similarity | NPC75135 |
0.6543 | Remote Similarity | NPC328029 |
0.6541 | Remote Similarity | NPC278434 |
0.6541 | Remote Similarity | NPC310633 |
0.6531 | Remote Similarity | NPC476524 |
0.6527 | Remote Similarity | NPC167400 |
0.6517 | Remote Similarity | NPC253810 |
0.6514 | Remote Similarity | NPC73687 |
0.6491 | Remote Similarity | NPC312860 |
0.6477 | Remote Similarity | NPC471944 |
0.6474 | Remote Similarity | NPC179701 |
0.6474 | Remote Similarity | NPC475870 |
0.645 | Remote Similarity | NPC89508 |
0.644 | Remote Similarity | NPC262898 |
0.6432 | Remote Similarity | NPC241025 |
0.6432 | Remote Similarity | NPC82370 |
0.6432 | Remote Similarity | NPC474258 |
0.6429 | Remote Similarity | NPC82053 |
0.6418 | Remote Similarity | NPC50562 |
0.6404 | Remote Similarity | NPC470894 |
0.6402 | Remote Similarity | NPC114310 |
0.6402 | Remote Similarity | NPC472288 |
0.6398 | Remote Similarity | NPC160381 |
0.6386 | Remote Similarity | NPC67658 |
0.6379 | Remote Similarity | NPC212742 |
0.6378 | Remote Similarity | NPC132539 |
0.6378 | Remote Similarity | NPC207851 |
0.6375 | Remote Similarity | NPC71236 |
0.6368 | Remote Similarity | NPC19342 |
0.6364 | Remote Similarity | NPC473946 |
0.6355 | Remote Similarity | NPC312645 |
0.6354 | Remote Similarity | NPC186068 |
0.633 | Remote Similarity | NPC209917 |
0.6322 | Remote Similarity | NPC141353 |
0.6319 | Remote Similarity | NPC286195 |
0.6286 | Remote Similarity | NPC116573 |
0.6281 | Remote Similarity | NPC476525 |
0.6264 | Remote Similarity | NPC263455 |
0.6257 | Remote Similarity | NPC109447 |
0.6243 | Remote Similarity | NPC469976 |
0.6237 | Remote Similarity | NPC248782 |
0.6236 | Remote Similarity | NPC162268 |
0.6224 | Remote Similarity | NPC98864 |
0.6209 | Remote Similarity | NPC247980 |
0.6205 | Remote Similarity | NPC19696 |
0.6205 | Remote Similarity | NPC136957 |
0.6198 | Remote Similarity | NPC88315 |
0.6198 | Remote Similarity | NPC473821 |
0.6196 | Remote Similarity | NPC15573 |
0.6196 | Remote Similarity | NPC217372 |
0.6196 | Remote Similarity | NPC183662 |
0.6193 | Remote Similarity | NPC57398 |
0.6193 | Remote Similarity | NPC469716 |
0.6186 | Remote Similarity | NPC74153 |
0.618 | Remote Similarity | NPC26491 |
0.6178 | Remote Similarity | NPC210123 |
0.6176 | Remote Similarity | NPC118228 |
0.6176 | Remote Similarity | NPC159630 |
0.6176 | Remote Similarity | NPC230085 |
0.6172 | Remote Similarity | NPC229893 |
0.6166 | Remote Similarity | NPC202812 |
0.6162 | Remote Similarity | NPC248041 |
0.6162 | Remote Similarity | NPC219336 |
0.6162 | Remote Similarity | NPC276540 |
0.6162 | Remote Similarity | NPC126709 |
0.6162 | Remote Similarity | NPC283219 |
0.6162 | Remote Similarity | NPC233050 |
0.6159 | Remote Similarity | NPC194541 |
0.6158 | Remote Similarity | NPC207020 |
0.6158 | Remote Similarity | NPC118940 |
0.6158 | Remote Similarity | NPC113812 |
0.615 | Remote Similarity | NPC283117 |
0.6146 | Remote Similarity | NPC74969 |
0.6134 | Remote Similarity | NPC48117 |
0.6134 | Remote Similarity | NPC476526 |
0.6134 | Remote Similarity | NPC329765 |
0.6126 | Remote Similarity | NPC144381 |
0.6124 | Remote Similarity | NPC243633 |
0.6124 | Remote Similarity | NPC175150 |
0.612 | Remote Similarity | NPC64055 |
0.6119 | Remote Similarity | NPC39679 |
0.6117 | Remote Similarity | NPC472285 |
0.6117 | Remote Similarity | NPC223189 |
0.6111 | Remote Similarity | NPC233380 |
0.6111 | Remote Similarity | NPC115232 |
0.6108 | Remote Similarity | NPC111275 |
0.6103 | Remote Similarity | NPC174281 |
0.6103 | Remote Similarity | NPC475286 |
0.6096 | Remote Similarity | NPC275292 |
0.6096 | Remote Similarity | NPC243381 |
0.6094 | Remote Similarity | NPC138370 |
0.6087 | Remote Similarity | NPC110500 |
0.6087 | Remote Similarity | NPC149155 |
0.6087 | Remote Similarity | NPC303225 |
0.6087 | Remote Similarity | NPC184408 |
0.6087 | Remote Similarity | NPC203468 |
0.6087 | Remote Similarity | NPC174576 |
0.6085 | Remote Similarity | NPC295158 |
0.6082 | Remote Similarity | NPC276517 |
0.608 | Remote Similarity | NPC476098 |
0.6071 | Remote Similarity | NPC306376 |
0.6071 | Remote Similarity | NPC472284 |
0.607 | Remote Similarity | NPC270918 |
0.6069 | Remote Similarity | NPC112741 |
0.6069 | Remote Similarity | NPC257142 |
0.6065 | Remote Similarity | NPC174489 |
0.6058 | Remote Similarity | NPC168209 |
0.6054 | Remote Similarity | NPC267885 |
0.6048 | Remote Similarity | NPC29702 |
0.6047 | Remote Similarity | NPC200553 |
0.6047 | Remote Similarity | NPC279189 |
0.6044 | Remote Similarity | NPC78020 |
0.6043 | Remote Similarity | NPC317010 |
0.604 | Remote Similarity | NPC266249 |
0.6038 | Remote Similarity | NPC214142 |
0.6037 | Remote Similarity | NPC162002 |
Similarity level is defined by Tanimoto coefficient (Tc) between two molecules.
●  The left chart: Distribution of similarity level between NPC52110 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 |
---|---|---|---|
0.75 | Intermediate Similarity | NPD3178 | Discontinued |
0.6667 | Remote Similarity | NPD9076 | Clinical (unspecified phase) |
0.6598 | Remote Similarity | NPD2715 | Clinical (unspecified phase) |
0.6546 | Remote Similarity | NPD2721 | Clinical (unspecified phase) |
0.6527 | Remote Similarity | NPD9075 | Approved |
0.6527 | Remote Similarity | NPD9074 | Approved |
0.642 | Remote Similarity | NPD1631 | Approved |
0.6404 | Remote Similarity | NPD2844 | Phase 3 |
0.6378 | Remote Similarity | NPD1096 | Discontinued |
0.6287 | Remote Similarity | NPD107 | Approved |
0.6278 | Remote Similarity | NPD1573 | Approved |
0.6278 | Remote Similarity | NPD1575 | Approved |
0.627 | Remote Similarity | NPD1783 | Clinical (unspecified phase) |
0.625 | Remote Similarity | NPD1630 | Approved |
0.6212 | Remote Similarity | NPD5901 | Discontinued |
0.6184 | Remote Similarity | NPD1996 | Discontinued |
0.6175 | Remote Similarity | NPD4736 | Clinical (unspecified phase) |
0.6154 | Remote Similarity | NPD1592 | Phase 3 |
0.6136 | Remote Similarity | NPD276 | Clinical (unspecified phase) |
0.6087 | Remote Similarity | NPD482 | Approved |
0.6075 | Remote Similarity | NPD1587 | Approved |
0.6069 | Remote Similarity | NPD9271 | Approved |
0.6054 | Remote Similarity | NPD749 | Clinical (unspecified phase) |
0.6021 | Remote Similarity | NPD4948 | Discontinued |
0.602 | Remote Similarity | NPD5003 | Discontinued |
0.6019 | Remote Similarity | NPD3757 | Clinical (unspecified phase) |
0.601 | Remote Similarity | NPD484 | Approved |
0.6 | Remote Similarity | NPD8096 | Phase 3 |
0.6 | Remote Similarity | NPD8097 | Phase 3 |
0.5976 | Remote Similarity | NPD203 | Clinical (unspecified phase) |
0.5957 | Remote Similarity | NPD1643 | Phase 3 |
0.5941 | Remote Similarity | NPD569 | Clinical (unspecified phase) |
0.5938 | Remote Similarity | NPD6141 | Clinical (unspecified phase) |
0.5934 | Remote Similarity | NPD1568 | Clinical (unspecified phase) |
0.5928 | Remote Similarity | NPD5592 | Clinical (unspecified phase) |
0.592 | Remote Similarity | NPD2121 | Clinical (unspecified phase) |
0.5914 | Remote Similarity | NPD1586 | Approved |
0.5897 | Remote Similarity | NPD9243 | Approved |
0.5895 | Remote Similarity | NPD2094 | Phase 2 |
0.5895 | Remote Similarity | NPD2095 | Phase 2 |
0.5895 | Remote Similarity | NPD2092 | Phase 2 |
0.5891 | Remote Similarity | NPD8098 | Approved |
0.5888 | Remote Similarity | NPD2289 | Phase 3 |
0.5888 | Remote Similarity | NPD2290 | Phase 3 |
0.5876 | Remote Similarity | NPD2564 | Approved |
0.5876 | Remote Similarity | NPD2565 | Phase 2 |
0.5873 | Remote Similarity | NPD6452 | Discontinued |
0.5872 | Remote Similarity | NPD5020 | Approved |
0.5867 | Remote Similarity | NPD1173 | Approved |
0.5864 | Remote Similarity | NPD2091 | Phase 2 |
0.5864 | Remote Similarity | NPD2096 | Phase 2 |
0.5843 | Remote Similarity | NPD180 | Clinical (unspecified phase) |
0.5833 | Remote Similarity | NPD820 | Phase 3 |
0.5829 | Remote Similarity | NPD7946 | Pre-registration |
0.5829 | Remote Similarity | NPD772 | Phase 3 |
0.5825 | Remote Similarity | NPD1534 | Approved |
0.582 | Remote Similarity | NPD5398 | Clinical (unspecified phase) |
0.5816 | Remote Similarity | NPD6665 | Discontinued |
0.5792 | Remote Similarity | NPD5140 | Approved |
0.5792 | Remote Similarity | NPD5138 | Approved |
0.5789 | Remote Similarity | NPD2323 | Clinical (unspecified phase) |
0.5787 | Remote Similarity | NPD510 | Phase 1 |
0.5775 | Remote Similarity | NPD750 | Phase 2 |
0.5769 | Remote Similarity | NPD6657 | Clinical (unspecified phase) |
0.5767 | Remote Similarity | NPD7865 | Approved |
0.5758 | Remote Similarity | NPD9080 | Approved |
0.5753 | Remote Similarity | NPD1326 | Approved |
0.5753 | Remote Similarity | NPD1325 | Approved |
0.575 | Remote Similarity | NPD7459 | Phase 2 |
0.5749 | Remote Similarity | NPD7998 | Clinical (unspecified phase) |
0.5742 | Remote Similarity | NPD3243 | Approved |
0.573 | Remote Similarity | NPD4554 | Clinical (unspecified phase) |
0.5729 | Remote Similarity | NPD6449 | Clinical (unspecified phase) |
0.5729 | Remote Similarity | NPD5728 | Clinical (unspecified phase) |
0.5728 | Remote Similarity | NPD6376 | Discontinued |
0.5723 | Remote Similarity | NPD5352 | Clinical (unspecified phase) |
0.5722 | Remote Similarity | NPD3315 | Phase 3 |
0.5721 | Remote Similarity | NPD7470 | Discontinued |
0.5714 | Remote Similarity | NPD2779 | Approved |
0.5714 | Remote Similarity | NPD1554 | Clinical (unspecified phase) |
0.5707 | Remote Similarity | NPD4862 | Clinical (unspecified phase) |
0.57 | Remote Similarity | NPD4506 | Discontinued |
0.5698 | Remote Similarity | NPD9343 | Clinical (unspecified phase) |
0.5687 | Remote Similarity | NPD8160 | Phase 2 |
0.5682 | Remote Similarity | NPD6263 | Clinical (unspecified phase) |
0.5681 | Remote Similarity | NPD6770 | Approved |
0.5678 | Remote Similarity | NPD5975 | Clinical (unspecified phase) |
0.5674 | Remote Similarity | NPD6160 | Clinical (unspecified phase) |
0.5661 | Remote Similarity | NPD158 | Discontinued |
0.5659 | Remote Similarity | NPD3947 | Discontinued |
0.5659 | Remote Similarity | NPD6323 | Clinical (unspecified phase) |
0.5652 | Remote Similarity | NPD2510 | Approved |
0.5652 | Remote Similarity | NPD2509 | Approved |
0.5648 | Remote Similarity | NPD7547 | Clinical (unspecified phase) |
0.5646 | Remote Similarity | NPD5416 | Discontinued |
0.564 | Remote Similarity | NPD5417 | Clinical (unspecified phase) |
0.5634 | Remote Similarity | NPD5632 | Approved |
0.5628 | Remote Similarity | NPD604 | Clinical (unspecified phase) |
0.5622 | Remote Similarity | NPD863 | Approved |
0.5622 | Remote Similarity | NPD862 | Approved |
0.5622 | Remote Similarity | NPD861 | Approved |
0.5619 | Remote Similarity | NPD3918 | Approved |
0.5619 | Remote Similarity | NPD5866 | Approved |
0.5619 | Remote Similarity | NPD3917 | Approved |
0.5619 | Remote Similarity | NPD3916 | Clinical (unspecified phase) |
0.5615 | Remote Similarity | NPD7866 | Approved |
0.5613 | Remote Similarity | NPD3393 | Approved |
0.5613 | Remote Similarity | NPD3389 | Approved |
0.5613 | Remote Similarity | NPD2433 | Clinical (unspecified phase) |
0.5613 | Remote Similarity | NPD3394 | Approved |
0.56 | Remote Similarity | NPD3834 | Clinical (unspecified phase) |
PubChem CID   | 161830 |
ChEMBL   | CHEMBL397590 |
ZINC   |
Molecular Weight:   | 266.85 |
ALogP:   | 0.9738 |
MLogP:   | 1.46 |
XLogP:   | 1.7 |
# Rotatable Bonds:   | 4 |
Polar Surface Area:   | 53.09 |
# H-Bond Aceptor:   | 3 |
# H-Bond Donor:   | 2 |
# Rings:   | 1 |
# Heavy Atoms:   | 10 |