Organism ID | Organism Name | Taxonomy Level | Family | SuperKingdom | Isolation Part | Collection Location | Collection Time | Reference |
---|---|---|---|---|---|---|---|---|
NPO27569 | Archangelica officinalis | Species | Apiaceae | Eukaryota | UNPD* | |||
NPO27262 | Dryopteris inaequalis | Species | Dryopteridaceae | Eukaryota | UNPD* | |||
NPO27648 | Cereus aethiops | Species | Cactaceae | Eukaryota | UNPD* | |||
NPO20208 | Rhinogobius brunneus | Species | Gobiidae | Eukaryota | UNPD* | |||
NPO27688 | Aeonium goochiae | Species | Crassulaceae | Eukaryota | UNPD* | |||
NPO27740 | Alcantara ekmaniana | NA | NA | NA | UNPD* | |||
NPO27191 | Schistochila appendiculata | Species | Schistochilaceae | Eukaryota | UNPD* | |||
NPO27323 | Cestrum nocturnum | Species | Solanaceae | Eukaryota | UNPD* | |||
NPO16500 | Byssochlamys spectabilis | Species | Thermoascaceae | Eukaryota | UNPD* | |||
NPO27707 | Soja hispida | Species | Fabaceae | Eukaryota | UNPD* | |||
NPO22488 | Leptosphaeria oraemaris | Species | Leptosphaeriaceae | Eukaryota | UNPD* | |||
NPO17223 | Agelas oroides | Species | Agelasidae | Eukaryota | UNPD* | |||
NPO11140 | Coprinopsis cinerea | Species | Psathyrellaceae | Eukaryota | UNPD* | |||
NPO27773 | Rhododendron ovatum | Species | Ericaceae | Eukaryota | UNPD* | |||
NPO26895 | Baccharis bigelovii | Species | Asteraceae | Eukaryota | UNPD* | |||
NPO27072 | Monochaetum vulcanicum | Species | Melastomataceae | Eukaryota | UNPD* | |||
NPO7497 | Guatteria blepharophylla | Species | Annonaceae | Eukaryota | UNPD* | |||
NPO27725 | Artemisia vestita | Species | Asteraceae | Eukaryota | UNPD* | |||
NPO27012 | Laurencia pannosa | Species | Rhodomelaceae | 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 | = | 13.3 | ug/ml | 17765547 |
NPT580 | Organism | Trypanosoma cruzi | Trypanosoma cruzi | IC50 | > | 30 | ug/ml | 17765547 |
NPT633 | Organism | Leishmania donovani | Leishmania donovani | IC50 | > | 30 | ug/ml | 17765547 |
NPT839 | Cell Line | L6 | Rattus norvegicus | IC50 | > | 90 | ug/ml | 17765547 |
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 NPC142688 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 | NPC52110 |
0.9133 | High Similarity | NPC298288 |
0.8506 | High Similarity | NPC109158 |
0.8121 | Intermediate Similarity | NPC150592 |
0.8065 | Intermediate Similarity | NPC260041 |
0.7933 | Intermediate Similarity | NPC20021 |
0.791 | Intermediate Similarity | NPC77061 |
0.7826 | Intermediate Similarity | NPC33229 |
0.7799 | Intermediate Similarity | NPC13432 |
0.7515 | Intermediate Similarity | NPC27296 |
0.7394 | Intermediate Similarity | NPC474236 |
0.7384 | Intermediate Similarity | NPC80528 |
0.7193 | Intermediate Similarity | NPC474383 |
0.7081 | Intermediate Similarity | NPC85443 |
0.7035 | Intermediate Similarity | NPC206148 |
0.7011 | Intermediate Similarity | NPC470894 |
0.7 | Intermediate Similarity | NPC195704 |
0.7 | Intermediate Similarity | NPC64661 |
0.7 | Intermediate Similarity | NPC200397 |
0.7 | Intermediate Similarity | NPC292434 |
0.7 | Intermediate Similarity | NPC98156 |
0.7 | Intermediate Similarity | NPC138596 |
0.7 | Intermediate Similarity | NPC14448 |
0.7 | Intermediate Similarity | NPC167200 |
0.6982 | Remote Similarity | NPC75135 |
0.6937 | Remote Similarity | NPC23215 |
0.6937 | Remote Similarity | NPC291517 |
0.6936 | Remote Similarity | NPC306160 |
0.6936 | Remote Similarity | NPC476418 |
0.6927 | Remote Similarity | NPC132539 |
0.6919 | Remote Similarity | NPC473706 |
0.6897 | Remote Similarity | NPC2414 |
0.6891 | Remote Similarity | NPC82053 |
0.6885 | Remote Similarity | NPC160381 |
0.6869 | Remote Similarity | NPC50562 |
0.6854 | Remote Similarity | NPC37268 |
0.6834 | Remote Similarity | NPC67658 |
0.6831 | Remote Similarity | NPC476423 |
0.6826 | Remote Similarity | NPC302159 |
0.6788 | Remote Similarity | NPC101130 |
0.6788 | Remote Similarity | NPC114033 |
0.6788 | Remote Similarity | NPC129412 |
0.6788 | Remote Similarity | NPC58268 |
0.6776 | Remote Similarity | NPC469814 |
0.6769 | Remote Similarity | NPC321428 |
0.6758 | Remote Similarity | NPC472861 |
0.6758 | Remote Similarity | NPC184932 |
0.6727 | Remote Similarity | NPC129753 |
0.6727 | Remote Similarity | NPC169308 |
0.6727 | Remote Similarity | NPC205604 |
0.6727 | Remote Similarity | NPC286529 |
0.6727 | Remote Similarity | NPC302717 |
0.6727 | Remote Similarity | NPC209281 |
0.6727 | Remote Similarity | NPC244087 |
0.6727 | Remote Similarity | NPC59839 |
0.6727 | Remote Similarity | NPC74928 |
0.6727 | Remote Similarity | NPC3698 |
0.6727 | Remote Similarity | NPC12831 |
0.6727 | Remote Similarity | NPC97230 |
0.6727 | Remote Similarity | NPC48171 |
0.6727 | Remote Similarity | NPC77582 |
0.6683 | Remote Similarity | NPC118940 |
0.665 | Remote Similarity | NPC89508 |
0.6649 | Remote Similarity | NPC141454 |
0.6648 | Remote Similarity | NPC226835 |
0.6648 | Remote Similarity | NPC54214 |
0.6614 | Remote Similarity | NPC476413 |
0.6601 | Remote Similarity | NPC469717 |
0.6588 | Remote Similarity | NPC112741 |
0.6579 | Remote Similarity | NPC476414 |
0.6575 | Remote Similarity | NPC97106 |
0.6573 | Remote Similarity | NPC474696 |
0.6566 | Remote Similarity | NPC266249 |
0.6561 | Remote Similarity | NPC138370 |
0.6557 | Remote Similarity | NPC233050 |
0.6557 | Remote Similarity | NPC276540 |
0.6556 | Remote Similarity | NPC28096 |
0.6556 | Remote Similarity | NPC302647 |
0.6556 | Remote Similarity | NPC227489 |
0.6556 | Remote Similarity | NPC476421 |
0.6553 | Remote Similarity | NPC175150 |
0.6553 | Remote Similarity | NPC243633 |
0.6552 | Remote Similarity | NPC312645 |
0.6538 | Remote Similarity | NPC136441 |
0.6538 | Remote Similarity | NPC286195 |
0.6535 | Remote Similarity | NPC477979 |
0.6531 | Remote Similarity | NPC165599 |
0.6524 | Remote Similarity | NPC111566 |
0.6524 | Remote Similarity | NPC112489 |
0.6524 | Remote Similarity | NPC63571 |
0.6522 | Remote Similarity | NPC71236 |
0.6508 | Remote Similarity | NPC469489 |
0.6502 | Remote Similarity | NPC36405 |
0.65 | Remote Similarity | NPC123839 |
0.6489 | Remote Similarity | NPC310633 |
0.6488 | Remote Similarity | NPC168209 |
0.6486 | Remote Similarity | NPC275292 |
0.6486 | Remote Similarity | NPC243381 |
0.6482 | Remote Similarity | NPC476525 |
0.648 | Remote Similarity | NPC470509 |
0.6461 | Remote Similarity | NPC73687 |
0.6441 | Remote Similarity | NPC322644 |
0.6437 | Remote Similarity | NPC107287 |
0.6436 | Remote Similarity | NPC46022 |
0.6429 | Remote Similarity | NPC271927 |
0.6429 | Remote Similarity | NPC9635 |
0.641 | Remote Similarity | NPC103361 |
0.6406 | Remote Similarity | NPC88315 |
0.6404 | Remote Similarity | NPC39500 |
0.639 | Remote Similarity | NPC223189 |
0.6389 | Remote Similarity | NPC41717 |
0.6374 | Remote Similarity | NPC273532 |
0.6373 | Remote Similarity | NPC135950 |
0.6373 | Remote Similarity | NPC46811 |
0.6359 | Remote Similarity | NPC476419 |
0.635 | Remote Similarity | NPC244741 |
0.6347 | Remote Similarity | NPC472288 |
0.6332 | Remote Similarity | NPC473239 |
0.6321 | Remote Similarity | NPC19342 |
0.6304 | Remote Similarity | NPC186068 |
0.63 | Remote Similarity | NPC300156 |
0.6296 | Remote Similarity | NPC311282 |
0.6293 | Remote Similarity | NPC118228 |
0.6284 | Remote Similarity | NPC249614 |
0.6283 | Remote Similarity | NPC221873 |
0.628 | Remote Similarity | NPC174576 |
0.628 | Remote Similarity | NPC184408 |
0.6271 | Remote Similarity | NPC169586 |
0.6269 | Remote Similarity | NPC4687 |
0.6256 | Remote Similarity | NPC179701 |
0.625 | Remote Similarity | NPC83111 |
0.625 | Remote Similarity | NPC312860 |
0.6244 | Remote Similarity | NPC123395 |
0.6238 | Remote Similarity | NPC476524 |
0.6238 | Remote Similarity | NPC39679 |
0.6237 | Remote Similarity | NPC230403 |
0.6225 | Remote Similarity | NPC187501 |
0.6224 | Remote Similarity | NPC262898 |
0.6221 | Remote Similarity | NPC230085 |
0.6221 | Remote Similarity | NPC159630 |
0.6211 | Remote Similarity | NPC474258 |
0.6207 | Remote Similarity | NPC325297 |
0.6198 | Remote Similarity | NPC209917 |
0.6197 | Remote Similarity | NPC192712 |
0.6196 | Remote Similarity | NPC469976 |
0.6188 | Remote Similarity | NPC8104 |
0.6183 | Remote Similarity | NPC84347 |
0.617 | Remote Similarity | NPC469896 |
0.6162 | Remote Similarity | NPC136957 |
0.6162 | Remote Similarity | NPC19696 |
0.6161 | Remote Similarity | NPC144452 |
0.6154 | Remote Similarity | NPC192306 |
0.6154 | Remote Similarity | NPC115232 |
0.6146 | Remote Similarity | NPC87413 |
0.6146 | Remote Similarity | NPC278434 |
0.6146 | Remote Similarity | NPC473946 |
0.6145 | Remote Similarity | NPC116573 |
0.6126 | Remote Similarity | NPC282103 |
0.6126 | Remote Similarity | NPC241025 |
0.6124 | Remote Similarity | NPC263455 |
0.6111 | Remote Similarity | NPC267853 |
0.6111 | Remote Similarity | NPC315062 |
0.6108 | Remote Similarity | NPC253810 |
0.6103 | Remote Similarity | NPC469961 |
0.61 | Remote Similarity | NPC471944 |
0.6095 | Remote Similarity | NPC328029 |
0.6092 | Remote Similarity | NPC167400 |
0.6091 | Remote Similarity | NPC79356 |
0.6091 | Remote Similarity | NPC48117 |
0.6091 | Remote Similarity | NPC102592 |
0.6091 | Remote Similarity | NPC476526 |
0.6091 | Remote Similarity | NPC329765 |
0.6083 | Remote Similarity | NPC244897 |
0.608 | Remote Similarity | NPC220408 |
0.6073 | Remote Similarity | NPC207851 |
0.6073 | Remote Similarity | NPC110158 |
0.6071 | Remote Similarity | NPC247735 |
0.6071 | Remote Similarity | NPC472295 |
0.6071 | Remote Similarity | NPC472210 |
0.6071 | Remote Similarity | NPC81802 |
0.6071 | Remote Similarity | NPC269886 |
0.607 | Remote Similarity | NPC469716 |
0.6068 | Remote Similarity | NPC82370 |
0.6066 | Remote Similarity | NPC233380 |
0.6061 | Remote Similarity | NPC475286 |
0.6061 | Remote Similarity | NPC174281 |
0.6061 | Remote Similarity | NPC313823 |
0.6059 | Remote Similarity | NPC472287 |
0.6059 | Remote Similarity | NPC472286 |
0.6059 | Remote Similarity | NPC45190 |
0.6058 | Remote Similarity | NPC116238 |
0.6056 | Remote Similarity | NPC51388 |
0.6056 | Remote Similarity | NPC475870 |
0.6039 | Remote Similarity | NPC207020 |
0.6037 | Remote Similarity | NPC260434 |
0.6033 | Remote Similarity | NPC109447 |
0.6029 | Remote Similarity | NPC74969 |
0.6029 | Remote Similarity | NPC3207 |
0.6029 | Remote Similarity | NPC249583 |
0.6027 | Remote Similarity | NPC316411 |
Similarity level is defined by Tanimoto coefficient (Tc) between two molecules.
●  The left chart: Distribution of similarity level between NPC142688 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 |
---|---|---|---|
0.7135 | Intermediate Similarity | NPD3178 | Discontinued |
0.67 | Remote Similarity | NPD1996 | Discontinued |
0.6588 | Remote Similarity | NPD9271 | Approved |
0.6364 | Remote Similarity | NPD2121 | Clinical (unspecified phase) |
0.633 | Remote Similarity | NPD1096 | Discontinued |
0.6328 | Remote Similarity | NPD820 | Phase 3 |
0.631 | Remote Similarity | NPD9076 | Clinical (unspecified phase) |
0.6308 | Remote Similarity | NPD5003 | Discontinued |
0.6292 | Remote Similarity | NPD1630 | Approved |
0.6235 | Remote Similarity | NPD107 | Approved |
0.6219 | Remote Similarity | NPD2715 | Clinical (unspecified phase) |
0.6188 | Remote Similarity | NPD1631 | Approved |
0.6172 | Remote Similarity | NPD6770 | Approved |
0.6169 | Remote Similarity | NPD2721 | Clinical (unspecified phase) |
0.6166 | Remote Similarity | NPD2565 | Phase 2 |
0.6166 | Remote Similarity | NPD2564 | Approved |
0.6161 | Remote Similarity | NPD6160 | Clinical (unspecified phase) |
0.6157 | Remote Similarity | NPD6263 | Clinical (unspecified phase) |
0.6138 | Remote Similarity | NPD1783 | Clinical (unspecified phase) |
0.6127 | Remote Similarity | NPD4506 | Discontinued |
0.6124 | Remote Similarity | NPD5632 | Approved |
0.6111 | Remote Similarity | NPD772 | Phase 3 |
0.6105 | Remote Similarity | NPD3834 | Clinical (unspecified phase) |
0.6103 | Remote Similarity | NPD9243 | Approved |
0.6092 | Remote Similarity | NPD9075 | Approved |
0.6092 | Remote Similarity | NPD9074 | Approved |
0.6089 | Remote Similarity | NPD3947 | Discontinued |
0.6087 | Remote Similarity | NPD2844 | Phase 3 |
0.6078 | Remote Similarity | NPD2509 | Approved |
0.6078 | Remote Similarity | NPD2510 | Approved |
0.6067 | Remote Similarity | NPD180 | Clinical (unspecified phase) |
0.6059 | Remote Similarity | NPD4862 | Clinical (unspecified phase) |
0.6043 | Remote Similarity | NPD4736 | Clinical (unspecified phase) |
0.5981 | Remote Similarity | NPD3757 | Clinical (unspecified phase) |
0.5968 | Remote Similarity | NPD1575 | Approved |
0.5968 | Remote Similarity | NPD565 | Phase 2 |
0.5968 | Remote Similarity | NPD1573 | Approved |
0.5957 | Remote Similarity | NPD1586 | Approved |
0.5952 | Remote Similarity | NPD3394 | Approved |
0.5952 | Remote Similarity | NPD3393 | Approved |
0.5952 | Remote Similarity | NPD3389 | Approved |
0.5928 | Remote Similarity | NPD5891 | Approved |
0.592 | Remote Similarity | NPD2778 | Approved |
0.5919 | Remote Similarity | NPD2921 | Clinical (unspecified phase) |
0.5913 | Remote Similarity | NPD5475 | Discontinued |
0.5913 | Remote Similarity | NPD7470 | Discontinued |
0.5907 | Remote Similarity | NPD7547 | Clinical (unspecified phase) |
0.5896 | Remote Similarity | NPD1623 | Approved |
0.5896 | Remote Similarity | NPD569 | Clinical (unspecified phase) |
0.5892 | Remote Similarity | NPD2915 | Discontinued |
0.5885 | Remote Similarity | NPD6657 | Clinical (unspecified phase) |
0.5885 | Remote Similarity | NPD5866 | Approved |
0.5882 | Remote Similarity | NPD6176 | Phase 1 |
0.5877 | Remote Similarity | NPD8160 | Phase 2 |
0.5871 | Remote Similarity | NPD4987 | Clinical (unspecified phase) |
0.5871 | Remote Similarity | NPD7946 | Pre-registration |
0.5864 | Remote Similarity | NPD8304 | Clinical (unspecified phase) |
0.5864 | Remote Similarity | NPD1587 | Approved |
0.5857 | Remote Similarity | NPD3945 | Discontinued |
0.5854 | Remote Similarity | NPD5901 | Discontinued |
0.5842 | Remote Similarity | NPD749 | Clinical (unspecified phase) |
0.5833 | Remote Similarity | NPD2779 | Approved |
0.5829 | Remote Similarity | NPD1592 | Phase 3 |
0.5824 | Remote Similarity | NPD276 | Clinical (unspecified phase) |
0.5815 | Remote Similarity | NPD5483 | Clinical (unspecified phase) |
0.5805 | Remote Similarity | NPD2920 | Discontinued |
0.5797 | Remote Similarity | NPD3371 | Approved |
0.5789 | Remote Similarity | NPD482 | Approved |
0.5789 | Remote Similarity | NPD1166 | Clinical (unspecified phase) |
0.5787 | Remote Similarity | NPD1801 | Approved |
0.5787 | Remote Similarity | NPD1802 | Approved |
0.5778 | Remote Similarity | NPD3835 | Phase 3 |
0.5778 | Remote Similarity | NPD3833 | Phase 3 |
0.5762 | Remote Similarity | NPD5416 | Discontinued |
0.5761 | Remote Similarity | NPD2213 | Approved |
0.5761 | Remote Similarity | NPD2214 | Approved |
0.5758 | Remote Similarity | NPD4499 | Approved |
0.5755 | Remote Similarity | NPD4667 | Clinical (unspecified phase) |
0.5755 | Remote Similarity | NPD1638 | Discovery |
0.5755 | Remote Similarity | NPD5417 | Clinical (unspecified phase) |
0.5751 | Remote Similarity | NPD1643 | Phase 3 |
0.5735 | Remote Similarity | NPD8097 | Phase 3 |
0.5735 | Remote Similarity | NPD8096 | Phase 3 |
0.5733 | Remote Similarity | NPD3360 | Clinical (unspecified phase) |
0.5729 | Remote Similarity | NPD5912 | Clinical (unspecified phase) |
0.5729 | Remote Similarity | NPD5913 | Phase 3 |
0.5728 | Remote Similarity | NPD2433 | Clinical (unspecified phase) |
0.5722 | Remote Similarity | NPD1568 | Clinical (unspecified phase) |
0.5714 | Remote Similarity | NPD5482 | Discontinued |
0.5714 | Remote Similarity | NPD7853 | Phase 2 |
0.5701 | Remote Similarity | NPD5479 | Discontinued |
0.57 | Remote Similarity | NPD8282 | Approved |
0.57 | Remote Similarity | NPD56 | Approved |
0.57 | Remote Similarity | NPD4376 | Phase 3 |
0.57 | Remote Similarity | NPD8283 | Approved |
0.5694 | Remote Similarity | NPD7180 | Phase 3 |
0.5684 | Remote Similarity | NPD485 | Clinical (unspecified phase) |
0.5682 | Remote Similarity | NPD7994 | Phase 2 |
0.5681 | Remote Similarity | NPD2547 | Discontinued |
0.5677 | Remote Similarity | NPD5104 | Approved |
0.5676 | Remote Similarity | NPD7688 | Phase 1 |
0.5659 | Remote Similarity | NPD4500 | Approved |
0.5659 | Remote Similarity | NPD4501 | Approved |
0.5659 | Remote Similarity | NPD484 | Approved |
0.5659 | Remote Similarity | NPD9343 | Clinical (unspecified phase) |
0.5657 | Remote Similarity | NPD6393 | Clinical (unspecified phase) |
0.5657 | Remote Similarity | NPD4948 | Discontinued |
0.5657 | Remote Similarity | NPD6141 | Clinical (unspecified phase) |
0.565 | Remote Similarity | NPD5020 | Approved |
0.565 | Remote Similarity | NPD5592 | Clinical (unspecified phase) |
0.5648 | Remote Similarity | NPD6974 | Phase 3 |
0.5648 | Remote Similarity | NPD2785 | Clinical (unspecified phase) |
0.5628 | Remote Similarity | NPD1591 | Approved |
0.5628 | Remote Similarity | NPD1534 | Approved |
0.5625 | Remote Similarity | NPD8098 | Approved |
0.5622 | Remote Similarity | NPD6242 | Discontinued |
0.5619 | Remote Similarity | NPD8423 | Phase 2 |
0.5619 | Remote Similarity | NPD8399 | Phase 1 |
0.5616 | Remote Similarity | NPD2289 | Phase 3 |
0.5616 | Remote Similarity | NPD2290 | Phase 3 |
0.5612 | Remote Similarity | NPD2095 | Phase 2 |
0.5612 | Remote Similarity | NPD2094 | Phase 2 |
0.5612 | Remote Similarity | NPD2092 | Phase 2 |
0.5608 | Remote Similarity | NPD4174 | Clinical (unspecified phase) |
0.5605 | Remote Similarity | NPD1867 | Approved |
PubChem CID   | 324097 |
ChEMBL   | CHEMBL391386 |
ZINC   |
Molecular Weight:   | 280.87 |
ALogP:   | 1.2248 |
MLogP:   | 1.57 |
XLogP:   | 2.021 |
# Rotatable Bonds:   | 5 |
Polar Surface Area:   | 42.09 |
# H-Bond Aceptor:   | 3 |
# H-Bond Donor:   | 1 |
# Rings:   | 1 |
# Heavy Atoms:   | 11 |