Organism ID | Organism Name | Taxonomy Level | Family | SuperKingdom | Isolation Part | Collection Location | Collection Time | Reference |
---|---|---|---|---|---|---|---|---|
NPO9852 | Polyporus pargamenus | Species | Polyporaceae | Eukaryota | UNPD* | |||
NPO8762 | Brickellia cylindracea | Species | Asteraceae | Eukaryota | UNPD* | |||
NPO12280 | Sidastrum burrerense | Species | Malvaceae | Eukaryota | UNPD* | |||
NPO621 | Eria floribunda | Species | Orchidaceae | Eukaryota | UNPD* | |||
NPO12164 | Monnieria trifolia | NA | NA | NA | UNPD* | |||
NPO10968 | Striga lutea | Species | Orobanchaceae | Eukaryota | UNPD* | |||
NPO11306 | Crotalaria medicaginea | Species | Fabaceae | Eukaryota | UNPD* | |||
NPO12053 | Eria alba | Species | Orchidaceae | Eukaryota | UNPD* | |||
NPO26595 | Cryptocarya amygdalina | Species | Lauraceae | Eukaryota | UNPD* | |||
NPO15185 | Yucca recurvifolia | Species | Asparagaceae | Eukaryota | UNPD* | |||
NPO26177 | Macrophomina phaseoli | Species | Botryosphaeriaceae | Eukaryota | UNPD* | |||
NPO9464 | Stevia paniculata | Species | Asteraceae | Eukaryota | UNPD* | |||
NPO5289 | Calocephalus citreus | Species | Asteraceae | Eukaryota | UNPD* | |||
NPO26187 | Fritillaria stenanthera | Species | Liliaceae | Eukaryota | UNPD* | |||
NPO7108 | Rubus lambertianus | Species | Rosaceae | Eukaryota | UNPD* | |||
NPO6447 | Kopsia teoi | Species | Apocynaceae | Eukaryota | UNPD* | |||
NPO5390 | Lupinus pusillus | Species | Fabaceae | Eukaryota | UNPD* | |||
NPO12374 | Psychotria st | Species | Rubiaceae | Eukaryota | UNPD* | |||
NPO2342 | Cytisus scoparius | Species | Fabaceae | Eukaryota | UNPD* | |||
NPO25726 | Streptomyces echinoruber | Species | Streptomycetaceae | Bacteria | UNPD* | |||
NPO25653 | Spatholobus suberectus | Species | Fabaceae | Eukaryota | TCMSP* | |||
NPO6052 | Genista pichisermolliana | Species | Fabaceae | Eukaryota | UNPD* | |||
NPO10089 | Polyalthia barnesii | Species | Annonaceae | Eukaryota | UNPD* |
Target ID | Target Type | Target Name | Target Organism | Activity Type | Activity Relation | Value | Unit | Reference |
---|---|---|---|---|---|---|---|---|
NPT29 | Organism | Rattus norvegicus | Rattus norvegicus | Inhibition | > | 95 | % | 6471064 |
NPT110 | Individual Protein | Cytochrome P450 2D6 | Homo sapiens | IC50 | = | 60000 | nM | 16610785 |
NPT26 | Individual Protein | Reverse transcriptase | Human immunodeficiency virus 1 | IC50 | > | 200 | ug/ml | 1710653 |
NPT2 | Others | Unspecified | IC50 | = | 331000 | nM | 7798968 | |
NPT2 | Others | Unspecified | IC50 | = | 21000 | nM | 7798968 |
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 NPC243635 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 |
---|---|---|
1.0 | High Similarity | NPC228980 |
1.0 | High Similarity | NPC151004 |
0.75 | Intermediate Similarity | NPC290231 |
0.75 | Intermediate Similarity | NPC266383 |
0.75 | Intermediate Similarity | NPC68043 |
0.75 | Intermediate Similarity | NPC48448 |
0.75 | Intermediate Similarity | NPC180401 |
0.75 | Intermediate Similarity | NPC206241 |
0.75 | Intermediate Similarity | NPC271803 |
0.7059 | Intermediate Similarity | NPC17770 |
0.6957 | Remote Similarity | NPC80447 |
0.6618 | Remote Similarity | NPC127553 |
0.6618 | Remote Similarity | NPC255050 |
0.6301 | Remote Similarity | NPC308050 |
0.625 | Remote Similarity | NPC112398 |
0.6234 | Remote Similarity | NPC124359 |
0.6234 | Remote Similarity | NPC153734 |
0.6207 | Remote Similarity | NPC201713 |
0.619 | Remote Similarity | NPC231129 |
0.6133 | Remote Similarity | NPC120699 |
0.6133 | Remote Similarity | NPC127430 |
0.6133 | Remote Similarity | NPC268580 |
0.6094 | Remote Similarity | NPC82919 |
0.6 | Remote Similarity | NPC39308 |
0.5926 | Remote Similarity | NPC168017 |
0.5921 | Remote Similarity | NPC90839 |
0.5897 | Remote Similarity | NPC255430 |
0.5849 | Remote Similarity | NPC471440 |
0.5849 | Remote Similarity | NPC471575 |
0.5783 | Remote Similarity | NPC178632 |
0.5769 | Remote Similarity | NPC31313 |
0.5769 | Remote Similarity | NPC149908 |
0.5769 | Remote Similarity | NPC45906 |
0.5769 | Remote Similarity | NPC288415 |
0.5763 | Remote Similarity | NPC153803 |
0.575 | Remote Similarity | NPC143344 |
0.575 | Remote Similarity | NPC135639 |
0.575 | Remote Similarity | NPC234822 |
0.575 | Remote Similarity | NPC78058 |
0.575 | Remote Similarity | NPC61321 |
0.575 | Remote Similarity | NPC207048 |
0.5696 | Remote Similarity | NPC93630 |
0.5606 | Remote Similarity | NPC21781 |
Similarity level is defined by Tanimoto coefficient (Tc) between two molecules.
●  The left chart: Distribution of similarity level between NPC243635 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 |
---|---|---|---|
1.0 | High Similarity | NPD1823 | Approved |
1.0 | High Similarity | NPD1822 | Approved |
1.0 | High Similarity | NPD1821 | Approved |
0.7818 | Intermediate Similarity | NPD3727 | Discontinued |
0.661 | Remote Similarity | NPD3711 | Phase 3 |
0.661 | Remote Similarity | NPD3712 | Phase 3 |
0.6552 | Remote Similarity | NPD3721 | Approved |
0.6552 | Remote Similarity | NPD3722 | Approved |
0.6379 | Remote Similarity | NPD5793 | Discontinued |
0.5932 | Remote Similarity | NPD4834 | Discontinued |
0.5902 | Remote Similarity | NPD4839 | Approved |
0.5862 | Remote Similarity | NPD5379 | Clinical (unspecified phase) |
0.5818 | Remote Similarity | NPD390 | Approved |
0.5818 | Remote Similarity | NPD718 | Approved |
0.5625 | Remote Similarity | NPD298 | Clinical (unspecified phase) |
PubChem CID   | 7014 |
ChEMBL   | CHEMBL412873 |
ZINC   |
Molecular Weight:   | 234.21 |
ALogP:   | -2.3058 |
MLogP:   | 2.89 |
XLogP:   | 2.12 |
# Rotatable Bonds:   | 0 |
Polar Surface Area:   | 6.48 |
# H-Bond Aceptor:   | 2 |
# H-Bond Donor:   | 0 |
# Rings:   | 4 |
# Heavy Atoms:   | 17 |