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] |
NPO4051 | Tricholoma columbetta | Species | Tricholomataceae | Eukaryota | UNPD* | |||
NPO12056 | Chondrodendron tomentosum | Species | Menispermaceae | Eukaryota | UNPD* | |||
NPO14241 | Planchonia grandis | Species | Asterolecaniidae | Eukaryota | UNPD* | |||
NPO20843 | Monsonia senegalensis | Species | Geraniaceae | Eukaryota | UNPD* | |||
NPO17258 | Rhinella marina | Species | Bufonidae | Eukaryota | UNPD* | |||
NPO17849 | Centaurea maculosa | Species | Asteraceae | Eukaryota | UNPD* | |||
NPO11523 | Erysimum leptophyllum | Species | Brassicaceae | Eukaryota | UNPD* | |||
NPO13449 | Syzygium polycephaloides | Species | Myrtaceae | Eukaryota | UNPD* | |||
NPO17334 | Onopordum acanthium | Species | Asteraceae | Eukaryota | UNPD* | |||
NPO20598 | Lythrum salicaria | Species | Lythraceae | Eukaryota | UNPD* | |||
NPO21562 | Diospyros assimilis | Species | Ebenaceae | Eukaryota | UNPD* | |||
NPO19231 | Sophora flavescens | Species | Fabaceae | Eukaryota | UNPD* | |||
NPO20421 | Aplophyllum alberti-regelii | NA | NA | NA | UNPD* | |||
NPO20624 | Simarouba glauca | Species | Simaroubaceae | Eukaryota | UNPD* | |||
NPO22937 | Vernonia fagifolia | Species | Asteraceae | Eukaryota | UNPD* | |||
NPO16569 | Gymnocalycium schickendantzii | Species | Cactaceae | Eukaryota | UNPD* | |||
NPO18143 | Dendronephthya griffini | Species | Nephtheidae | Eukaryota | UNPD* | |||
NPO19511 | Dolabella californica | Species | Aplysiidae | Eukaryota | UNPD* | |||
NPO21108 | Eria anomala | Species | Orchidaceae | Eukaryota | UNPD* | |||
NPO21243 | Siphonaria capensis | Species | Siphonariidae | Eukaryota | UNPD* | |||
NPO21495 | Abelia chinensis | Species | Caprifoliaceae | Eukaryota | UNPD* | |||
NPO3152 | Morella rubra | Species | Myricaceae | Eukaryota | UNPD* | |||
NPO21375 | Euphorbia nematocypha | Species | Euphorbiaceae | Eukaryota | UNPD* | |||
NPO27367 | Latrunculia magnifica | Species | Latrunculiidae | Eukaryota | UNPD* | |||
NPO19995 | Baccharis neglecta | Species | Asteraceae | Eukaryota | UNPD* | |||
NPO21631 | Faramea salicifolia | Species | Rubiaceae | Eukaryota | UNPD* | |||
NPO20084 | Atraphaxis spinosa | Species | Polygonaceae | Eukaryota | UNPD* | |||
NPO5903 | Conus mus | Species | Conidae | Eukaryota | UNPD* | |||
NPO21038 | Lemaireocereus longispinus | Species | Cactaceae | Eukaryota | UNPD* | |||
NPO20142 | Embelia schimperi | Species | Primulaceae | Eukaryota | UNPD* | |||
NPO9968 | Shigella dysenteriae | Species | Enterobacteriaceae | Bacteria | UNPD* | |||
NPO18473 | Plathymenia reticulata | Species | Fabaceae | Eukaryota | UNPD* | |||
NPO18176 | Ephedra sinica | Species | Ephedraceae | Eukaryota | UNPD* | |||
NPO20879 | Clerodendrum bungei | Species | Lamiaceae | Eukaryota | UNPD* | |||
NPO22961 | Cordia leucocephala | Species | Cordiaceae | Eukaryota | UNPD* | |||
NPO12313 | Haplophyllum obtusifolium | Species | Rutaceae | Eukaryota | UNPD* | |||
NPO18866 | Pteridium esculentum | Species | Dennstaedtiaceae | Eukaryota | UNPD* | |||
NPO28202 | Helichrysum tenuifolium | Species | Asteraceae | Eukaryota | UNPD* | |||
NPO18286 | Lycogala epidendrum | Species | Enteridiidae | Eukaryota | UNPD* | |||
NPO17560 | Pancratium sickenbergeri | Species | Amaryllidaceae | Eukaryota | UNPD* | |||
NPO28072 | Theonella conica | Species | Theonellidae | Eukaryota | UNPD* | |||
NPO30647 | Sophora vicllfolia | Species | Fabaceae | Eukaryota | TCM_Taiwan* | |||
NPO19036 | Esenbeckia leiocarpa | Species | Rutaceae | Eukaryota | UNPD* | |||
NPO3430 | Sophorae flavescentis radix | NA | NA | NA | TCMSP* | |||
NPO20680 | Erythrina melanacantha | Species | Fabaceae | Eukaryota | UNPD* | |||
NPO16141 | Piper regnellii | Species | Piperaceae | Eukaryota | UNPD* | |||
NPO20489 | Epilobium hirsutum | Species | Onagraceae | Eukaryota | UNPD* | |||
NPO19912 | Vellozia nanuzae | Species | Velloziaceae | Eukaryota | UNPD* | |||
NPO19810 | Myxococcus stipitatus | Species | Myxococcaceae | Bacteria | UNPD* | |||
NPO21170 | Embelia parviflora | Species | Primulaceae | Eukaryota | UNPD* | |||
NPO18668 | Asimina parviflora | Species | Annonaceae | 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 | = | 24.5 | % | 16364643 |
NPT963 | Organism | Hepatitis B virus | Hepatitis B virus | Activity | = | 0 | % | 16364643 |
NPT963 | Organism | Hepatitis B virus | Hepatitis B virus | Activity | = | 5.7 | % | 16364643 |
NPT65 | Cell Line | HepG2 | Homo sapiens | Activity | >= | 25 | % | 16364643 |
NPT189 | Cell Line | Vero | Chlorocebus aethiops | TC50 | > | 762.34 | nM | 26132528 |
NPT3119 | Organism | Human coxsackievirus B3 | Human coxsackievirus B3 | IC50 | = | 197220 | nM | 26132528 |
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 NPC91036 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 |
---|---|---|
0.9677 | High Similarity | NPC144714 |
0.9677 | High Similarity | NPC100810 |
0.9278 | High Similarity | NPC472856 |
0.9231 | High Similarity | NPC145707 |
0.8111 | Intermediate Similarity | NPC120699 |
0.8111 | Intermediate Similarity | NPC127430 |
0.7872 | Intermediate Similarity | NPC207048 |
0.7692 | Intermediate Similarity | NPC308050 |
0.7684 | Intermediate Similarity | NPC143344 |
0.7684 | Intermediate Similarity | NPC78058 |
0.7684 | Intermediate Similarity | NPC135639 |
0.7684 | Intermediate Similarity | NPC234822 |
0.7684 | Intermediate Similarity | NPC61321 |
0.7447 | Intermediate Similarity | NPC209232 |
0.7282 | Intermediate Similarity | NPC25033 |
0.7282 | Intermediate Similarity | NPC476261 |
0.7282 | Intermediate Similarity | NPC470382 |
0.7282 | Intermediate Similarity | NPC471635 |
0.7282 | Intermediate Similarity | NPC119225 |
0.7273 | Intermediate Similarity | NPC168017 |
0.7129 | Intermediate Similarity | NPC178632 |
0.6915 | Remote Similarity | NPC34672 |
0.6804 | Remote Similarity | NPC268580 |
0.6771 | Remote Similarity | NPC244256 |
0.6771 | Remote Similarity | NPC86452 |
0.6737 | Remote Similarity | NPC63284 |
0.67 | Remote Similarity | NPC124359 |
0.6667 | Remote Similarity | NPC214125 |
0.6667 | Remote Similarity | NPC320667 |
0.646 | Remote Similarity | NPC477000 |
0.646 | Remote Similarity | NPC477001 |
0.64 | Remote Similarity | NPC476560 |
0.6372 | Remote Similarity | NPC473254 |
0.6364 | Remote Similarity | NPC473695 |
0.6364 | Remote Similarity | NPC473446 |
0.6311 | Remote Similarity | NPC475975 |
0.63 | Remote Similarity | NPC132858 |
0.63 | Remote Similarity | NPC267203 |
0.63 | Remote Similarity | NPC77890 |
0.6286 | Remote Similarity | NPC324506 |
0.6283 | Remote Similarity | NPC473289 |
0.6277 | Remote Similarity | NPC23721 |
0.6275 | Remote Similarity | NPC255430 |
0.622 | Remote Similarity | NPC247902 |
0.622 | Remote Similarity | NPC262880 |
0.6195 | Remote Similarity | NPC77703 |
0.6167 | Remote Similarity | NPC478137 |
0.6161 | Remote Similarity | NPC270813 |
0.6154 | Remote Similarity | NPC476276 |
0.6154 | Remote Similarity | NPC207820 |
0.6139 | Remote Similarity | NPC90839 |
0.6126 | Remote Similarity | NPC289140 |
0.6122 | Remote Similarity | NPC470992 |
0.6122 | Remote Similarity | NPC470993 |
0.6111 | Remote Similarity | NPC17143 |
0.6111 | Remote Similarity | NPC47230 |
0.6106 | Remote Similarity | NPC316730 |
0.6102 | Remote Similarity | NPC274895 |
0.6066 | Remote Similarity | NPC288629 |
0.6034 | Remote Similarity | NPC75523 |
0.6034 | Remote Similarity | NPC475239 |
0.6017 | Remote Similarity | NPC159367 |
0.6 | Remote Similarity | NPC116881 |
0.6 | Remote Similarity | NPC57163 |
0.6 | Remote Similarity | NPC13351 |
0.5984 | Remote Similarity | NPC474984 |
0.5983 | Remote Similarity | NPC476328 |
0.5981 | Remote Similarity | NPC473525 |
0.5968 | Remote Similarity | NPC474006 |
0.595 | Remote Similarity | NPC474995 |
0.5948 | Remote Similarity | NPC476877 |
0.5948 | Remote Similarity | NPC318544 |
0.5897 | Remote Similarity | NPC470596 |
0.5897 | Remote Similarity | NPC133420 |
0.5897 | Remote Similarity | NPC470073 |
0.5888 | Remote Similarity | NPC322672 |
0.5877 | Remote Similarity | NPC91604 |
0.5865 | Remote Similarity | NPC45906 |
0.5865 | Remote Similarity | NPC31313 |
0.5865 | Remote Similarity | NPC149908 |
0.5865 | Remote Similarity | NPC288415 |
0.5862 | Remote Similarity | NPC176012 |
0.5859 | Remote Similarity | NPC26932 |
0.5857 | Remote Similarity | NPC276822 |
0.5856 | Remote Similarity | NPC93027 |
0.5847 | Remote Similarity | NPC476876 |
0.5841 | Remote Similarity | NPC476903 |
0.5833 | Remote Similarity | NPC473578 |
0.5827 | Remote Similarity | NPC315188 |
0.5826 | Remote Similarity | NPC477964 |
0.5816 | Remote Similarity | NPC97614 |
0.5812 | Remote Similarity | NPC241879 |
0.581 | Remote Similarity | NPC93630 |
0.58 | Remote Similarity | NPC470994 |
0.5798 | Remote Similarity | NPC176773 |
0.5798 | Remote Similarity | NPC46981 |
0.5794 | Remote Similarity | NPC319913 |
0.5789 | Remote Similarity | NPC474164 |
0.5763 | Remote Similarity | NPC212874 |
0.575 | Remote Similarity | NPC470595 |
0.5738 | Remote Similarity | NPC143173 |
0.5736 | Remote Similarity | NPC314192 |
0.5728 | Remote Similarity | NPC473971 |
0.5728 | Remote Similarity | NPC475363 |
0.5728 | Remote Similarity | NPC473972 |
0.5726 | Remote Similarity | NPC247060 |
0.5726 | Remote Similarity | NPC50815 |
0.5726 | Remote Similarity | NPC272166 |
0.5714 | Remote Similarity | NPC41162 |
0.5714 | Remote Similarity | NPC81006 |
0.5714 | Remote Similarity | NPC471109 |
0.5714 | Remote Similarity | NPC277341 |
0.5714 | Remote Similarity | NPC226982 |
0.5704 | Remote Similarity | NPC313348 |
0.5704 | Remote Similarity | NPC475987 |
0.5699 | Remote Similarity | NPC112398 |
0.5691 | Remote Similarity | NPC469865 |
0.569 | Remote Similarity | NPC135799 |
0.5684 | Remote Similarity | NPC206660 |
0.5676 | Remote Similarity | NPC53240 |
0.5662 | Remote Similarity | NPC99864 |
0.566 | Remote Similarity | NPC473810 |
0.5656 | Remote Similarity | NPC63511 |
0.5652 | Remote Similarity | NPC475646 |
0.5652 | Remote Similarity | NPC140300 |
0.5648 | Remote Similarity | NPC76283 |
0.5645 | Remote Similarity | NPC469597 |
0.5638 | Remote Similarity | NPC477459 |
0.5638 | Remote Similarity | NPC477461 |
0.563 | Remote Similarity | NPC476921 |
0.5625 | Remote Similarity | NPC110875 |
0.5625 | Remote Similarity | NPC477143 |
0.5625 | Remote Similarity | NPC477140 |
0.5625 | Remote Similarity | NPC118844 |
0.5625 | Remote Similarity | NPC72183 |
0.5625 | Remote Similarity | NPC299808 |
0.561 | Remote Similarity | NPC476875 |
0.561 | Remote Similarity | NPC474431 |
0.561 | Remote Similarity | NPC474411 |
0.5606 | Remote Similarity | NPC96010 |
0.5606 | Remote Similarity | NPC317654 |
0.56 | Remote Similarity | NPC322372 |
0.56 | Remote Similarity | NPC327517 |
0.56 | Remote Similarity | NPC321485 |
0.56 | Remote Similarity | NPC319334 |
0.56 | Remote Similarity | NPC317377 |
0.56 | Remote Similarity | NPC145501 |
Similarity level is defined by Tanimoto coefficient (Tc) between two molecules.
●  The left chart: Distribution of similarity level between NPC91036 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 |
---|---|---|---|
0.63 | Remote Similarity | NPD529 | Approved |
0.5982 | Remote Similarity | NPD5349 | Clinical (unspecified phase) |
0.5847 | Remote Similarity | NPD7333 | Discontinued |
0.5772 | Remote Similarity | NPD1376 | Discontinued |
0.5736 | Remote Similarity | NPD5576 | Approved |
0.5736 | Remote Similarity | NPD5579 | Approved |
0.5726 | Remote Similarity | NPD1000 | Clinical (unspecified phase) |
0.5669 | Remote Similarity | NPD7522 | Discontinued |
0.5662 | Remote Similarity | NPD8415 | Approved |
PubChem CID   | 12133310 |
ChEMBL   | CHEMBL382625 |
ZINC   |
Molecular Weight:   | 262.17 |
ALogP:   | -0.9706 |
MLogP:   | 2.67 |
XLogP:   | 0.24 |
# Rotatable Bonds:   | 1 |
Polar Surface Area:   | 43.78 |
# H-Bond Aceptor:   | 4 |
# H-Bond Donor:   | 1 |
# Rings:   | 4 |
# Heavy Atoms:   | 19 |