Organism ID | Organism Name | Taxonomy Level | Family | SuperKingdom | Isolation Part | Collection Location | Collection Time | Reference |
---|---|---|---|---|---|---|---|---|
NPO7715 | Sophora tonkinensis | Species | Fabaceae | Eukaryota | Rhizomes | Nanning, Guangxi Province, China | 2012-DEC |
PMID[26132528] |
NPO21108 | Eria anomala | Species | Orchidaceae | Eukaryota | UNPD* | |||
NPO18668 | Asimina parviflora | Species | Annonaceae | Eukaryota | UNPD* | |||
NPO4051 | Tricholoma columbetta | Species | Tricholomataceae | Eukaryota | UNPD* | |||
NPO21243 | Siphonaria capensis | Species | Siphonariidae | Eukaryota | UNPD* | |||
NPO19036 | Esenbeckia leiocarpa | Species | Rutaceae | Eukaryota | UNPD* | |||
NPO19810 | Myxococcus stipitatus | Species | Myxococcaceae | Bacteria | UNPD* | |||
NPO3152 | Morella rubra | Species | Myricaceae | Eukaryota | UNPD* | |||
NPO20489 | Epilobium hirsutum | Species | Onagraceae | Eukaryota | UNPD* | |||
NPO16569 | Gymnocalycium schickendantzii | Species | Cactaceae | Eukaryota | UNPD* | |||
NPO5903 | Conus mus | Species | Conidae | Eukaryota | UNPD* | |||
NPO22937 | Vernonia fagifolia | Species | Asteraceae | Eukaryota | UNPD* | |||
NPO18286 | Lycogala epidendrum | Species | Enteridiidae | Eukaryota | UNPD* | |||
NPO20843 | Monsonia senegalensis | Species | Geraniaceae | Eukaryota | UNPD* | |||
NPO20680 | Erythrina melanacantha | Species | Fabaceae | Eukaryota | UNPD* | |||
NPO20598 | Lythrum salicaria | Species | Lythraceae | Eukaryota | UNPD* | |||
NPO19912 | Vellozia nanuzae | Species | Velloziaceae | Eukaryota | UNPD* | |||
NPO21495 | Abelia chinensis | Species | Caprifoliaceae | Eukaryota | UNPD* | |||
NPO20879 | Clerodendrum bungei | Species | Lamiaceae | Eukaryota | UNPD* | |||
NPO19995 | Baccharis neglecta | Species | Asteraceae | Eukaryota | UNPD* | |||
NPO17334 | Onopordum acanthium | Species | Asteraceae | Eukaryota | UNPD* | |||
NPO14241 | Planchonia grandis | Species | Asterolecaniidae | Eukaryota | UNPD* | |||
NPO3430 | Sophorae flavescentis radix | NA | NA | NA | TCMSP* | |||
NPO16141 | Piper regnellii | Species | Piperaceae | Eukaryota | UNPD* | |||
NPO19231 | Sophora flavescens | Species | Fabaceae | Eukaryota | UNPD* | |||
NPO9968 | Shigella dysenteriae | Species | Enterobacteriaceae | Bacteria | UNPD* | |||
NPO20421 | Aplophyllum alberti-regelii | NA | NA | NA | UNPD* | |||
NPO17560 | Pancratium sickenbergeri | Species | Amaryllidaceae | Eukaryota | UNPD* | |||
NPO18866 | Pteridium esculentum | Species | Dennstaedtiaceae | Eukaryota | UNPD* | |||
NPO20624 | Simarouba glauca | Species | Simaroubaceae | Eukaryota | UNPD* | |||
NPO12056 | Chondrodendron tomentosum | Species | Menispermaceae | Eukaryota | UNPD* | |||
NPO19511 | Dolabella californica | Species | Aplysiidae | Eukaryota | UNPD* | |||
NPO18473 | Plathymenia reticulata | Species | Fabaceae | Eukaryota | UNPD* | |||
NPO21170 | Embelia parviflora | Species | Primulaceae | Eukaryota | UNPD* | |||
NPO21562 | Diospyros assimilis | Species | Ebenaceae | Eukaryota | UNPD* | |||
NPO17258 | Rhinella marina | Species | Bufonidae | Eukaryota | UNPD* | |||
NPO18143 | Dendronephthya griffini | Species | Nephtheidae | Eukaryota | UNPD* | |||
NPO17849 | Centaurea maculosa | Species | Asteraceae | Eukaryota | UNPD* | |||
NPO11523 | Erysimum leptophyllum | Species | Brassicaceae | Eukaryota | UNPD* | |||
NPO20084 | Atraphaxis spinosa | Species | Polygonaceae | Eukaryota | UNPD* | |||
NPO27367 | Latrunculia magnifica | Species | Latrunculiidae | Eukaryota | UNPD* | |||
NPO13449 | Syzygium polycephaloides | Species | Myrtaceae | Eukaryota | UNPD* | |||
NPO12313 | Haplophyllum obtusifolium | Species | Rutaceae | Eukaryota | UNPD* | |||
NPO21631 | Faramea salicifolia | Species | Rubiaceae | Eukaryota | UNPD* | |||
NPO20142 | Embelia schimperi | Species | Primulaceae | Eukaryota | UNPD* | |||
NPO21038 | Lemaireocereus longispinus | Species | Cactaceae | Eukaryota | UNPD* | |||
NPO22961 | Cordia leucocephala | Species | Cordiaceae | Eukaryota | UNPD* | |||
NPO18176 | Ephedra sinica | Species | Ephedraceae | Eukaryota | UNPD* | |||
NPO28202 | Helichrysum tenuifolium | Species | Asteraceae | Eukaryota | UNPD* | |||
NPO21375 | Euphorbia nematocypha | Species | Euphorbiaceae | Eukaryota | UNPD* | |||
NPO28072 | Theonella conica | Species | Theonellidae | Eukaryota | UNPD* | |||
NPO19667 | Hypericum styphelioides | Species | Hypericaceae | Eukaryota | UNPD* |
Target ID | Target Type | Target Name | Target Organism | Activity Type | Activity Relation | Value | Unit | Reference |
---|---|---|---|---|---|---|---|---|
NPT963 | Organism | Hepatitis B virus | Hepatitis B virus | Activity | = | 31.6 | % | 16364643 |
NPT963 | Organism | Hepatitis B virus | Hepatitis B virus | Activity | = | 18.1 | % | 16364643 |
NPT963 | Organism | Hepatitis B virus | Hepatitis B virus | Activity | = | 19.5 | % | 16364643 |
NPT963 | Organism | Hepatitis B virus | Hepatitis B virus | Activity | = | 13.3 | % | 16364643 |
NPT65 | Cell Line | HepG2 | Homo sapiens | Activity | >= | 25 | % | 16364643 |
NPT91 | Cell Line | KB | Homo sapiens | IC50 | > | 40000 | nM | 26865176 |
NPT2 | Others | Unspecified | IC50 | > | 40000 | nM | 26865176 | |
NPT82 | Cell Line | MDA-MB-231 | Homo sapiens | IC50 | > | 40000 | nM | 26865176 |
NPT81 | Cell Line | A549 | Homo sapiens | IC50 | > | 40000 | nM | 26865176 |
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 NPC168017 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 |
---|---|---|
0.9759 | High Similarity | NPC178632 |
0.9268 | High Similarity | NPC124359 |
0.7901 | Intermediate Similarity | NPC271803 |
0.7901 | Intermediate Similarity | NPC68043 |
0.7901 | Intermediate Similarity | NPC206241 |
0.7901 | Intermediate Similarity | NPC290231 |
0.7901 | Intermediate Similarity | NPC180401 |
0.7901 | Intermediate Similarity | NPC48448 |
0.7901 | Intermediate Similarity | NPC266383 |
0.7647 | Intermediate Similarity | NPC80447 |
0.7273 | Intermediate Similarity | NPC91036 |
0.7111 | Intermediate Similarity | NPC90839 |
0.7059 | Intermediate Similarity | NPC144714 |
0.7059 | Intermediate Similarity | NPC100810 |
0.6792 | Remote Similarity | NPC472856 |
0.6774 | Remote Similarity | NPC31313 |
0.6774 | Remote Similarity | NPC149908 |
0.6774 | Remote Similarity | NPC45906 |
0.6774 | Remote Similarity | NPC288415 |
0.6702 | Remote Similarity | NPC93630 |
0.6699 | Remote Similarity | NPC220111 |
0.6696 | Remote Similarity | NPC271115 |
0.6667 | Remote Similarity | NPC309731 |
0.66 | Remote Similarity | NPC145707 |
0.6596 | Remote Similarity | NPC81006 |
0.6404 | Remote Similarity | NPC127553 |
0.6404 | Remote Similarity | NPC255050 |
0.6392 | Remote Similarity | NPC277918 |
0.6337 | Remote Similarity | NPC312637 |
0.631 | Remote Similarity | NPC112398 |
0.63 | Remote Similarity | NPC322966 |
0.6271 | Remote Similarity | NPC266910 |
0.6222 | Remote Similarity | NPC306973 |
0.6211 | Remote Similarity | NPC268580 |
0.6132 | Remote Similarity | NPC292819 |
0.6091 | Remote Similarity | NPC475239 |
0.6068 | Remote Similarity | NPC28542 |
0.6055 | Remote Similarity | NPC470592 |
0.6038 | Remote Similarity | NPC134504 |
0.6038 | Remote Similarity | NPC47076 |
0.6018 | Remote Similarity | NPC274895 |
0.5968 | Remote Similarity | NPC220396 |
0.5962 | Remote Similarity | NPC315237 |
0.5957 | Remote Similarity | NPC477002 |
0.5943 | Remote Similarity | NPC174117 |
0.5926 | Remote Similarity | NPC151004 |
0.5926 | Remote Similarity | NPC228980 |
0.5926 | Remote Similarity | NPC243635 |
0.592 | Remote Similarity | NPC25327 |
0.5865 | Remote Similarity | NPC476019 |
0.5859 | Remote Similarity | NPC255430 |
0.5833 | Remote Similarity | NPC308050 |
0.5806 | Remote Similarity | NPC29326 |
0.5728 | Remote Similarity | NPC324506 |
0.5726 | Remote Similarity | NPC477518 |
0.5726 | Remote Similarity | NPC211848 |
0.5701 | Remote Similarity | NPC280066 |
0.5698 | Remote Similarity | NPC471421 |
0.5698 | Remote Similarity | NPC233364 |
0.5664 | Remote Similarity | NPC470596 |
0.5657 | Remote Similarity | NPC470783 |
0.5656 | Remote Similarity | NPC13351 |
0.5648 | Remote Similarity | NPC471635 |
0.5648 | Remote Similarity | NPC470382 |
0.5648 | Remote Similarity | NPC476261 |
0.5648 | Remote Similarity | NPC25033 |
0.5648 | Remote Similarity | NPC119225 |
0.5645 | Remote Similarity | NPC473477 |
0.5636 | Remote Similarity | NPC220234 |
0.5635 | Remote Similarity | NPC262880 |
0.5635 | Remote Similarity | NPC247902 |
0.5612 | Remote Similarity | NPC312315 |
0.5607 | Remote Similarity | NPC301010 |
Similarity level is defined by Tanimoto coefficient (Tc) between two molecules.
●  The left chart: Distribution of similarity level between NPC168017 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 |
---|---|---|---|
0.6429 | Remote Similarity | NPD3176 | Clinical (unspecified phase) |
0.6182 | Remote Similarity | NPD6920 | Discontinued |
0.6087 | Remote Similarity | NPD355 | Phase 2 |
0.5979 | Remote Similarity | NPD612 | Discontinued |
0.5962 | Remote Similarity | NPD6699 | Clinical (unspecified phase) |
0.5926 | Remote Similarity | NPD1822 | Approved |
0.5926 | Remote Similarity | NPD1823 | Approved |
0.5926 | Remote Similarity | NPD1821 | Approved |
0.5865 | Remote Similarity | NPD2682 | Approved |
0.5842 | Remote Similarity | NPD3723 | Clinical (unspecified phase) |
0.5841 | Remote Similarity | NPD8140 | Approved |
0.5833 | Remote Similarity | NPD3714 | Approved |
0.5833 | Remote Similarity | NPD3713 | Approved |
0.5833 | Remote Similarity | NPD3715 | Approved |
0.5789 | Remote Similarity | NPD6415 | Discontinued |
0.578 | Remote Similarity | NPD3101 | Approved |
0.578 | Remote Similarity | NPD3102 | Approved |
0.578 | Remote Similarity | NPD3103 | Approved |
0.578 | Remote Similarity | NPD3104 | Approved |
0.5773 | Remote Similarity | NPD617 | Approved |
0.5702 | Remote Similarity | NPD8307 | Discontinued |
0.5656 | Remote Similarity | NPD8347 | Approved |
0.5656 | Remote Similarity | NPD8345 | Approved |
0.5656 | Remote Similarity | NPD8346 | Approved |
0.5652 | Remote Similarity | NPD620 | Approved |
0.5636 | Remote Similarity | NPD4825 | Clinical (unspecified phase) |
PubChem CID   | 15385684 |
ChEMBL   | CHEMBL204747 |
ZINC   |
Molecular Weight:   | 264.18 |
ALogP:   | -2.1285 |
MLogP:   | 2.67 |
XLogP:   | 0.351 |
# Rotatable Bonds:   | 1 |
Polar Surface Area:   | 43.78 |
# H-Bond Aceptor:   | 4 |
# H-Bond Donor:   | 1 |
# Rings:   | 4 |
# Heavy Atoms:   | 19 |