Organism ID | Organism Name | Taxonomy Level | Family | SuperKingdom | Isolation Part | Collection Location | Collection Time | Reference |
---|---|---|---|---|---|---|---|---|
NPO22961 | Cordia leucocephala | Species | Cordiaceae | Eukaryota | UNPD* | |||
NPO18143 | Dendronephthya griffini | Species | Nephtheidae | Eukaryota | UNPD* | |||
NPO20680 | Erythrina melanacantha | Species | Fabaceae | Eukaryota | UNPD* | |||
NPO11523 | Erysimum leptophyllum | Species | Brassicaceae | Eukaryota | UNPD* | |||
NPO12056 | Chondrodendron tomentosum | Species | Menispermaceae | Eukaryota | UNPD* | |||
NPO20489 | Epilobium hirsutum | Species | Onagraceae | Eukaryota | UNPD* | |||
NPO17560 | Pancratium sickenbergeri | Species | Amaryllidaceae | Eukaryota | UNPD* | |||
NPO21562 | Diospyros assimilis | Species | Ebenaceae | Eukaryota | UNPD* | |||
NPO20598 | Lythrum salicaria | Species | Lythraceae | Eukaryota | UNPD* | |||
NPO19912 | Vellozia nanuzae | Species | Velloziaceae | Eukaryota | UNPD* | |||
NPO18668 | Asimina parviflora | Species | Annonaceae | Eukaryota | UNPD* | |||
NPO18176 | Ephedra sinica | Species | Ephedraceae | Eukaryota | UNPD* | |||
NPO20879 | Clerodendrum bungei | Species | Lamiaceae | Eukaryota | UNPD* | |||
NPO17334 | Onopordum acanthium | Species | Asteraceae | Eukaryota | UNPD* | |||
NPO19231 | Sophora flavescens | Species | Fabaceae | Eukaryota | UNPD* | |||
NPO16569 | Gymnocalycium schickendantzii | Species | Cactaceae | Eukaryota | UNPD* | |||
NPO12313 | Haplophyllum obtusifolium | Species | Rutaceae | Eukaryota | UNPD* | |||
NPO21038 | Lemaireocereus longispinus | Species | Cactaceae | Eukaryota | UNPD* | |||
NPO19810 | Myxococcus stipitatus | Species | Myxococcaceae | Bacteria | UNPD* | |||
NPO20142 | Embelia schimperi | Species | Primulaceae | Eukaryota | UNPD* | |||
NPO21375 | Euphorbia nematocypha | Species | Euphorbiaceae | Eukaryota | UNPD* | |||
NPO18286 | Lycogala epidendrum | Species | Enteridiidae | Eukaryota | UNPD* | |||
NPO4051 | Tricholoma columbetta | Species | Tricholomataceae | Eukaryota | UNPD* | |||
NPO19511 | Dolabella californica | Species | Aplysiidae | Eukaryota | UNPD* | |||
NPO5903 | Conus mus | Species | Conidae | Eukaryota | UNPD* | |||
NPO17849 | Centaurea maculosa | Species | Asteraceae | Eukaryota | UNPD* | |||
NPO17258 | Rhinella marina | Species | Bufonidae | Eukaryota | UNPD* | |||
NPO21495 | Abelia chinensis | Species | Caprifoliaceae | Eukaryota | UNPD* | |||
NPO14241 | Planchonia grandis | Species | Asterolecaniidae | Eukaryota | UNPD* | |||
NPO20421 | Aplophyllum alberti-regelii | NA | NA | NA | UNPD* | |||
NPO28202 | Helichrysum tenuifolium | Species | Asteraceae | Eukaryota | UNPD* | |||
NPO21243 | Siphonaria capensis | Species | Siphonariidae | Eukaryota | UNPD* | |||
NPO22937 | Vernonia fagifolia | Species | Asteraceae | Eukaryota | UNPD* | |||
NPO28072 | Theonella conica | Species | Theonellidae | Eukaryota | UNPD* | |||
NPO20624 | Simarouba glauca | Species | Simaroubaceae | Eukaryota | UNPD* | |||
NPO21631 | Faramea salicifolia | Species | Rubiaceae | Eukaryota | UNPD* | |||
NPO20084 | Atraphaxis spinosa | Species | Polygonaceae | Eukaryota | UNPD* | |||
NPO18473 | Plathymenia reticulata | Species | Fabaceae | Eukaryota | UNPD* | |||
NPO3152 | Morella rubra | Species | Myricaceae | Eukaryota | UNPD* | |||
NPO27367 | Latrunculia magnifica | Species | Latrunculiidae | Eukaryota | UNPD* | |||
NPO21170 | Embelia parviflora | Species | Primulaceae | Eukaryota | UNPD* | |||
NPO18866 | Pteridium esculentum | Species | Dennstaedtiaceae | Eukaryota | UNPD* | |||
NPO20843 | Monsonia senegalensis | Species | Geraniaceae | Eukaryota | UNPD* | |||
NPO19036 | Esenbeckia leiocarpa | Species | Rutaceae | Eukaryota | UNPD* | |||
NPO19995 | Baccharis neglecta | Species | Asteraceae | Eukaryota | UNPD* | |||
NPO21108 | Eria anomala | Species | Orchidaceae | Eukaryota | UNPD* | |||
NPO9968 | Shigella dysenteriae | Species | Enterobacteriaceae | Bacteria | UNPD* | |||
NPO13449 | Syzygium polycephaloides | Species | Myrtaceae | Eukaryota | UNPD* | |||
NPO16141 | Piper regnellii | Species | Piperaceae | Eukaryota | UNPD* | |||
NPO19667 | Hypericum styphelioides | Species | Hypericaceae | Eukaryota | UNPD* |
Target ID | Target Type | Target Name | Target Organism | Activity Type | Activity Relation | Value | Unit | Reference |
---|---|---|---|---|---|---|---|---|
NPT94 | Individual Protein | Aldehyde dehydrogenase 1A1 | Homo sapiens | Potency | = | 281.8 | nM | PubChem BioAssay data set |
NPT347 | Cell Line | Lymphoblastoid cells | Homo sapiens | Potency | = | 79432.8 | nM | PubChem BioAssay data set |
NPT153 | Individual Protein | Androgen Receptor | Homo sapiens | Potency | 35481.3 | nM | PubChem BioAssay data set | |
NPT6 | Organism | Plasmodium falciparum | Plasmodium falciparum | Potency | 16511.3 | nM | PubChem BioAssay data set | |
NPT10 | Individual Protein | Geminin | Homo sapiens | Potency | 36.6 | nM | PubChem BioAssay data set | |
NPT2 | Others | Unspecified | Potency | 47067.3 | nM | PubChem BioAssay data set | ||
NPT2 | Others | Unspecified | Potency | 5232.9 | nM | PubChem BioAssay data set |
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 NPC9639 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 |
---|---|---|
0.9072 | High Similarity | NPC155498 |
0.9062 | High Similarity | NPC111132 |
0.8469 | Intermediate Similarity | NPC187191 |
0.8469 | Intermediate Similarity | NPC326248 |
0.8286 | Intermediate Similarity | NPC327613 |
0.809 | Intermediate Similarity | NPC237936 |
0.7727 | Intermediate Similarity | NPC68938 |
0.7565 | Intermediate Similarity | NPC15566 |
0.75 | Intermediate Similarity | NPC273327 |
0.75 | Intermediate Similarity | NPC51000 |
0.7436 | Intermediate Similarity | NPC180462 |
0.7333 | Intermediate Similarity | NPC25465 |
0.732 | Intermediate Similarity | NPC190949 |
0.725 | Intermediate Similarity | NPC243319 |
0.719 | Intermediate Similarity | NPC235501 |
0.7143 | Intermediate Similarity | NPC293163 |
0.7037 | Intermediate Similarity | NPC476099 |
0.6944 | Remote Similarity | NPC59314 |
0.6905 | Remote Similarity | NPC18223 |
0.6905 | Remote Similarity | NPC237812 |
0.6881 | Remote Similarity | NPC18335 |
0.6842 | Remote Similarity | NPC313547 |
0.6744 | Remote Similarity | NPC185903 |
0.6744 | Remote Similarity | NPC286696 |
0.6609 | Remote Similarity | NPC41958 |
0.6596 | Remote Similarity | NPC100312 |
0.6596 | Remote Similarity | NPC204104 |
0.6541 | Remote Similarity | NPC174020 |
0.6526 | Remote Similarity | NPC270637 |
0.6496 | Remote Similarity | NPC148385 |
0.6496 | Remote Similarity | NPC63433 |
0.6493 | Remote Similarity | NPC327477 |
0.6493 | Remote Similarity | NPC197068 |
0.6484 | Remote Similarity | NPC126634 |
0.6435 | Remote Similarity | NPC4837 |
0.6435 | Remote Similarity | NPC312187 |
0.6387 | Remote Similarity | NPC278549 |
0.6346 | Remote Similarity | NPC326364 |
0.6328 | Remote Similarity | NPC57279 |
0.6306 | Remote Similarity | NPC174114 |
0.6306 | Remote Similarity | NPC87981 |
0.6288 | Remote Similarity | NPC210947 |
0.6283 | Remote Similarity | NPC476562 |
0.6281 | Remote Similarity | NPC252603 |
0.625 | Remote Similarity | NPC240084 |
0.625 | Remote Similarity | NPC189314 |
0.6214 | Remote Similarity | NPC282531 |
0.6127 | Remote Similarity | NPC60537 |
0.6106 | Remote Similarity | NPC476561 |
0.6091 | Remote Similarity | NPC476128 |
0.6047 | Remote Similarity | NPC246193 |
0.6036 | Remote Similarity | NPC320256 |
0.6 | Remote Similarity | NPC470138 |
0.594 | Remote Similarity | NPC470140 |
0.5912 | Remote Similarity | NPC8590 |
0.5868 | Remote Similarity | NPC199790 |
0.5814 | Remote Similarity | NPC144223 |
0.5812 | Remote Similarity | NPC119133 |
0.5809 | Remote Similarity | NPC470139 |
0.5794 | Remote Similarity | NPC277608 |
0.576 | Remote Similarity | NPC327579 |
0.5755 | Remote Similarity | NPC76536 |
0.5726 | Remote Similarity | NPC476564 |
0.5725 | Remote Similarity | NPC14330 |
0.5682 | Remote Similarity | NPC287876 |
0.5682 | Remote Similarity | NPC104011 |
0.568 | Remote Similarity | NPC158847 |
0.5652 | Remote Similarity | NPC332382 |
0.5648 | Remote Similarity | NPC262236 |
0.562 | Remote Similarity | NPC47936 |
0.56 | Remote Similarity | NPC300238 |
Similarity level is defined by Tanimoto coefficient (Tc) between two molecules.
●  The left chart: Distribution of similarity level between NPC9639 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 |
---|---|---|---|
0.9062 | High Similarity | NPD8859 | Approved |
0.9062 | High Similarity | NPD8861 | Approved |
0.9062 | High Similarity | NPD8862 | Approved |
0.8131 | Intermediate Similarity | NPD9132 | Discontinued |
0.809 | Intermediate Similarity | NPD8185 | Discontinued |
0.809 | Intermediate Similarity | NPD8186 | Phase 1 |
0.7767 | Intermediate Similarity | NPD340 | Approved |
0.7767 | Intermediate Similarity | NPD341 | Approved |
0.7719 | Intermediate Similarity | NPD1388 | Phase 1 |
0.7719 | Intermediate Similarity | NPD1390 | Phase 1 |
0.7719 | Intermediate Similarity | NPD1389 | Clinical (unspecified phase) |
0.7576 | Intermediate Similarity | NPD9210 | Phase 2 |
0.75 | Intermediate Similarity | NPD8838 | Approved |
0.7436 | Intermediate Similarity | NPD300 | Approved |
0.7311 | Intermediate Similarity | NPD1807 | Clinical (unspecified phase) |
0.725 | Intermediate Similarity | NPD9081 | Clinical (unspecified phase) |
0.6944 | Remote Similarity | NPD8837 | Clinical (unspecified phase) |
0.6905 | Remote Similarity | NPD9133 | Approved |
0.6905 | Remote Similarity | NPD9628 | Approved |
0.6887 | Remote Similarity | NPD9194 | Approved |
0.6887 | Remote Similarity | NPD9193 | Approved |
0.6881 | Remote Similarity | NPD8836 | Approved |
0.6783 | Remote Similarity | NPD757 | Phase 3 |
0.6726 | Remote Similarity | NPD8955 | Approved |
0.6726 | Remote Similarity | NPD8954 | Approved |
0.6718 | Remote Similarity | NPD5342 | Clinical (unspecified phase) |
0.6701 | Remote Similarity | NPD8584 | Approved |
0.6641 | Remote Similarity | NPD1451 | Approved |
0.6641 | Remote Similarity | NPD9183 | Clinical (unspecified phase) |
0.664 | Remote Similarity | NPD9650 | Phase 3 |
0.661 | Remote Similarity | NPD9360 | Approved |
0.6591 | Remote Similarity | NPD3706 | Clinical (unspecified phase) |
0.6541 | Remote Similarity | NPD9627 | Approved |
0.629 | Remote Similarity | NPD579 | Clinical (unspecified phase) |
0.6286 | Remote Similarity | NPD1029 | Clinical (unspecified phase) |
0.6286 | Remote Similarity | NPD1027 | Approved |
0.6286 | Remote Similarity | NPD1030 | Approved |
0.6281 | Remote Similarity | NPD9288 | Approved |
0.6281 | Remote Similarity | NPD9292 | Approved |
0.6281 | Remote Similarity | NPD76 | Approved |
0.6281 | Remote Similarity | NPD9289 | Approved |
0.625 | Remote Similarity | NPD8833 | Approved |
0.625 | Remote Similarity | NPD8831 | Approved |
0.6241 | Remote Similarity | NPD875 | Clinical (unspecified phase) |
0.6197 | Remote Similarity | NPD1303 | Phase 1 |
0.6174 | Remote Similarity | NPD1816 | Clinical (unspecified phase) |
0.617 | Remote Similarity | NPD1731 | Clinical (unspecified phase) |
0.6167 | Remote Similarity | NPD163 | Approved |
0.6154 | Remote Similarity | NPD2604 | Approved |
0.6154 | Remote Similarity | NPD3697 | Discontinued |
0.614 | Remote Similarity | NPD9626 | Clinical (unspecified phase) |
0.6127 | Remote Similarity | NPD2180 | Approved |
0.6111 | Remote Similarity | NPD1290 | Phase 2 |
0.6102 | Remote Similarity | NPD9375 | Discontinued |
0.6084 | Remote Similarity | NPD695 | Discontinued |
0.605 | Remote Similarity | NPD9373 | Approved |
0.5986 | Remote Similarity | NPD3130 | Discontinued |
0.5986 | Remote Similarity | NPD5768 | Phase 2 |
0.5966 | Remote Similarity | NPD9412 | Discontinued |
0.595 | Remote Similarity | NPD9374 | Approved |
0.594 | Remote Similarity | NPD576 | Discontinued |
0.5938 | Remote Similarity | NPD515 | Phase 1 |
0.5935 | Remote Similarity | NPD237 | Clinical (unspecified phase) |
0.5926 | Remote Similarity | NPD8787 | Clinical (unspecified phase) |
0.5918 | Remote Similarity | NPD1042 | Clinical (unspecified phase) |
0.5909 | Remote Similarity | NPD9101 | Discontinued |
0.5909 | Remote Similarity | NPD9083 | Clinical (unspecified phase) |
0.5887 | Remote Similarity | NPD307 | Approved |
0.5872 | Remote Similarity | NPD8786 | Approved |
0.5856 | Remote Similarity | NPD9189 | Discontinued |
0.5854 | Remote Similarity | NPD1368 | Approved |
0.5852 | Remote Similarity | NPD799 | Phase 1 |
0.584 | Remote Similarity | NPD9409 | Discontinued |
0.5839 | Remote Similarity | NPD1122 | Clinical (unspecified phase) |
0.5812 | Remote Similarity | NPD9291 | Approved |
0.5806 | Remote Similarity | NPD9606 | Approved |
0.5789 | Remote Similarity | NPD209 | Clinical (unspecified phase) |
0.576 | Remote Similarity | NPD9607 | Approved |
0.5746 | Remote Similarity | NPD9484 | Clinical (unspecified phase) |
0.5726 | Remote Similarity | NPD9195 | Approved |
0.5714 | Remote Similarity | NPD9190 | Approved |
0.5714 | Remote Similarity | NPD3347 | Clinical (unspecified phase) |
0.5714 | Remote Similarity | NPD3105 | Discontinued |
0.5691 | Remote Similarity | NPD9086 | Approved |
0.5688 | Remote Similarity | NPD8565 | Clinical (unspecified phase) |
0.5688 | Remote Similarity | NPD8835 | Approved |
0.5682 | Remote Similarity | NPD8829 | Clinical (unspecified phase) |
0.5678 | Remote Similarity | NPD9345 | Clinical (unspecified phase) |
0.5678 | Remote Similarity | NPD9371 | Clinical (unspecified phase) |
0.5678 | Remote Similarity | NPD9196 | Phase 2 |
0.5672 | Remote Similarity | NPD1264 | Phase 2 |
0.5652 | Remote Similarity | NPD9134 | Approved |
0.5652 | Remote Similarity | NPD9135 | Approved |
0.5652 | Remote Similarity | NPD9255 | Phase 2 |
0.5649 | Remote Similarity | NPD870 | Clinical (unspecified phase) |
0.5643 | Remote Similarity | NPD568 | Approved |
0.5643 | Remote Similarity | NPD567 | Approved |
0.5643 | Remote Similarity | NPD566 | Approved |
0.5643 | Remote Similarity | NPD174 | Discontinued |
0.5641 | Remote Similarity | NPD3108 | Clinical (unspecified phase) |
0.5621 | Remote Similarity | NPD2478 | Clinical (unspecified phase) |
PubChem CID   | 13195 |
ChEMBL   | CHEMBL1230309 |
ZINC   |
Molecular Weight:   | 82.05 |
ALogP:   | 0.0191 |
MLogP:   | 1.68 |
XLogP:   | 0.388 |
# Rotatable Bonds:   | 1 |
Polar Surface Area:   | 28.68 |
# H-Bond Aceptor:   | 2 |
# H-Bond Donor:   | 1 |
# Rings:   | 1 |
# Heavy Atoms:   | 6 |