Organism ID | Organism Name | Taxonomy Level | Family | SuperKingdom | Isolation Part | Collection Location | Collection Time | Reference |
---|---|---|---|---|---|---|---|---|
NPO14856 | Peripterygia marginata | Species | Celastraceae | Eukaryota | UNPD* | |||
NPO12588 | Cornus officinalis | Species | Cornaceae | Eukaryota | TM-MC* | |||
NPO730 | Escherichia coli | Species | Enterobacteriaceae | Bacteria |
PMID[21988831] |
|||
NPO15095 | Hippophae rhamnoides | Species | Elaeagnaceae | Eukaryota | TM-MC* | |||
NPO6882 | Acremonium luzulae | Species | NA | Eukaryota | UNPD* | |||
NPO29463 | Pogostemon cablin | Species | Lamiaceae | Eukaryota | TM-MC* | |||
NPO13774 | Betula pendula | Species | Betulaceae | Eukaryota | UNPD* | |||
NPO28679 | Prunus mume | Species | Rosaceae | Eukaryota | TM-MC* | |||
NPO7638 | Symphoricarpos rivularis | Species | Caprifoliaceae | Eukaryota | UNPD* | |||
NPO13538 | Harrisonia abyssinica | Species | Rutaceae | Eukaryota | UNPD* | |||
NPO22693 | Curio ficoides | Species | Asteraceae | Eukaryota | UNPD* | |||
NPO14414 | Amomum micranthum | Species | Zingiberaceae | Eukaryota | UNPD* | |||
NPO13300 | Sideritis javalambrensis | Species | Lamiaceae | Eukaryota | UNPD* | |||
NPO21880 | Salvia tonalensis | Species | Lamiaceae | Eukaryota | UNPD* | |||
NPO933 | Anthoxanthum odoratum | Species | Poaceae | Eukaryota | UNPD* | |||
NPO9249 | Jujubae fructus | NA | NA | NA | TCMSP* | |||
NPO29564 | Farfarae flos | NA | NA | NA | TCMSP* | |||
NPO29545 | Capsici fructus | NA | NA | NA | TCMSP* | |||
NPO29628 | Rubi fructus | NA | NA | NA | TCMSP* | |||
NPO29609 | Polygoni cuspidati rhizoma et radix | NA | NA | NA | TCMSP* | |||
NPO12328 | Ampelopsis japonica | Species | Vitaceae | Eukaryota | TCMSP* | |||
NPO29698 | Imperatae rhizoma | NA | NA | NA | TCMSP* | |||
NPO3330 | Capsellae herba | NA | NA | NA | TCMSP* | |||
NPO12588 | Cornus officinalis | Species | Cornaceae | Eukaryota | TCMSP* | |||
NPO29582 | Aloe | Genus | Asphodelaceae | Eukaryota | TCMSP* | |||
NPO18195 | Maydis seigma | NA | NA | NA | TCMSP* | |||
NPO28184 | Folium nelumbinis | NA | NA | NA | TCMSP* | |||
NPO29653 | Hippophae fructus | Species | Elaeagnaceae | Eukaryota | TCMSP* | |||
NPO29551 | Mori fructus | NA | NA | NA | TCMSP* | |||
NPO26327 | Chaenomeles sinensis | Species | Rosaceae | Eukaryota | TCMSP* | |||
NPO29644 | Xanthii fructus | NA | NA | NA | TCMSP* | |||
NPO29685 | Eucommiae folium | NA | NA | NA | TCMSP* | |||
NPO29635 | Eucommiae cortex | NA | NA | NA | TCMSP* | |||
NPO2997 | Aloe africana | Species | Xanthorrhoeaceae | Eukaryota | TM-MC* | |||
NPO11578 | Aloe vera | Species | Xanthorrhoeaceae | Eukaryota | TM-MC* | |||
NPO14763 | Aloe ferox | Species | Asphodelaceae | Eukaryota | TM-MC* | |||
NPO2837 | Aloe spicata | Species | Asphodelaceae | Eukaryota | TM-MC* |
Target ID | Target Type | Target Name | Target Organism | Activity Type | Activity Relation | Value | Unit | Reference |
---|---|---|---|---|---|---|---|---|
NPT24 | Organism | Human immunodeficiency virus 1 | Human immunodeficiency virus 1 | ED50 | > | 1 | nM | 12166940 |
NPT24 | Organism | Human immunodeficiency virus 1 | Human immunodeficiency virus 1 | IC50 | >> | 25000 | nM | 12166940 |
NPT460 | Cell Line | MT2 | Homo sapiens | LD5 | > | 1 | nM | 9986720 |
NPT24 | Organism | Human immunodeficiency virus 1 | Human immunodeficiency virus 1 | ED50 | > | 1 | nM | 9986720 |
NPT12 | Individual Protein | Human immunodeficiency virus type 1 integrase | Human immunodeficiency virus 1 | Inhibition | = | 0 | % | 9986720 |
NPT664 | Protein Family | Histone deacetylase | Homo sapiens | Activity | = | 90 | % | 19520580 |
NPT210 | Individual Protein | Thyroid stimulating hormone receptor | Homo sapiens | Potency | = | 1584.9 | nM | PubChem BioAssay data set |
NPT532 | Individual Protein | Lysine-specific demethylase 4A | Homo sapiens | Potency | 89125.1 | nM | PubChem BioAssay data set | |
NPT10 | Individual Protein | Geminin | Homo sapiens | Potency | 5.2 | 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 NPC100742 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 | NPC97444 |
1.0 | High Similarity | NPC192402 |
1.0 | High Similarity | NPC19044 |
1.0 | High Similarity | NPC24751 |
1.0 | High Similarity | NPC121018 |
0.9487 | High Similarity | NPC35661 |
0.8205 | Intermediate Similarity | NPC159089 |
0.8043 | Intermediate Similarity | NPC328954 |
0.7907 | Intermediate Similarity | NPC313565 |
0.7907 | Intermediate Similarity | NPC259982 |
0.7907 | Intermediate Similarity | NPC228782 |
0.7755 | Intermediate Similarity | NPC19676 |
0.7755 | Intermediate Similarity | NPC323401 |
0.775 | Intermediate Similarity | NPC5505 |
0.775 | Intermediate Similarity | NPC1037 |
0.76 | Intermediate Similarity | NPC6883 |
0.7556 | Intermediate Similarity | NPC242655 |
0.7556 | Intermediate Similarity | NPC270088 |
0.7556 | Intermediate Similarity | NPC38891 |
0.7551 | Intermediate Similarity | NPC277878 |
0.75 | Intermediate Similarity | NPC191084 |
0.75 | Intermediate Similarity | NPC250870 |
0.75 | Intermediate Similarity | NPC168052 |
0.7442 | Intermediate Similarity | NPC320331 |
0.74 | Intermediate Similarity | NPC196612 |
0.7273 | Intermediate Similarity | NPC322956 |
0.7273 | Intermediate Similarity | NPC325307 |
0.7209 | Intermediate Similarity | NPC222792 |
0.7209 | Intermediate Similarity | NPC316217 |
0.7179 | Intermediate Similarity | NPC307739 |
0.7179 | Intermediate Similarity | NPC76217 |
0.717 | Intermediate Similarity | NPC327895 |
0.717 | Intermediate Similarity | NPC43169 |
0.717 | Intermediate Similarity | NPC112224 |
0.717 | Intermediate Similarity | NPC93861 |
0.7083 | Intermediate Similarity | NPC247546 |
0.7083 | Intermediate Similarity | NPC172086 |
0.6939 | Remote Similarity | NPC293378 |
0.6939 | Remote Similarity | NPC46254 |
0.6923 | Remote Similarity | NPC198126 |
0.6852 | Remote Similarity | NPC61567 |
0.6852 | Remote Similarity | NPC220922 |
0.6852 | Remote Similarity | NPC293692 |
0.6842 | Remote Similarity | NPC236709 |
0.675 | Remote Similarity | NPC261351 |
0.6731 | Remote Similarity | NPC65985 |
0.6667 | Remote Similarity | NPC198377 |
0.6667 | Remote Similarity | NPC325165 |
0.6607 | Remote Similarity | NPC323945 |
0.6596 | Remote Similarity | NPC320624 |
0.6596 | Remote Similarity | NPC318951 |
0.6596 | Remote Similarity | NPC319680 |
0.6512 | Remote Similarity | NPC103612 |
0.6512 | Remote Similarity | NPC24967 |
0.6491 | Remote Similarity | NPC320296 |
0.6481 | Remote Similarity | NPC68743 |
0.6481 | Remote Similarity | NPC60830 |
0.6429 | Remote Similarity | NPC179624 |
0.641 | Remote Similarity | NPC301586 |
0.641 | Remote Similarity | NPC33415 |
0.6364 | Remote Similarity | NPC317945 |
0.6279 | Remote Similarity | NPC316685 |
0.6271 | Remote Similarity | NPC317651 |
0.6271 | Remote Similarity | NPC258690 |
0.625 | Remote Similarity | NPC292641 |
0.6222 | Remote Similarity | NPC128713 |
0.6154 | Remote Similarity | NPC320326 |
0.6098 | Remote Similarity | NPC320981 |
0.6071 | Remote Similarity | NPC3547 |
0.6053 | Remote Similarity | NPC165122 |
0.6034 | Remote Similarity | NPC17935 |
0.5952 | Remote Similarity | NPC187058 |
0.5952 | Remote Similarity | NPC182541 |
0.5952 | Remote Similarity | NPC197207 |
0.5952 | Remote Similarity | NPC149070 |
0.5952 | Remote Similarity | NPC212144 |
0.5952 | Remote Similarity | NPC127074 |
0.5897 | Remote Similarity | NPC3343 |
0.5873 | Remote Similarity | NPC32148 |
0.587 | Remote Similarity | NPC328950 |
0.5854 | Remote Similarity | NPC180423 |
0.5854 | Remote Similarity | NPC270334 |
0.5814 | Remote Similarity | NPC217218 |
0.5814 | Remote Similarity | NPC108238 |
0.5769 | Remote Similarity | NPC327542 |
0.5769 | Remote Similarity | NPC131770 |
0.5769 | Remote Similarity | NPC200618 |
0.5738 | Remote Similarity | NPC268243 |
0.5714 | Remote Similarity | NPC241404 |
0.5682 | Remote Similarity | NPC127142 |
0.5682 | Remote Similarity | NPC7814 |
0.5682 | Remote Similarity | NPC307027 |
0.566 | Remote Similarity | NPC93888 |
0.566 | Remote Similarity | NPC270805 |
0.5652 | Remote Similarity | NPC321569 |
0.5641 | Remote Similarity | NPC82694 |
Similarity level is defined by Tanimoto coefficient (Tc) between two molecules.
●  The left chart: Distribution of similarity level between NPC100742 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 | NPD8604 | Approved |
1.0 | High Similarity | NPD8605 | Approved |
1.0 | High Similarity | NPD8603 | Approved |
1.0 | High Similarity | NPD8602 | Approved |
1.0 | High Similarity | NPD8598 | Approved |
1.0 | High Similarity | NPD8600 | Approved |
1.0 | High Similarity | NPD8599 | Approved |
1.0 | High Similarity | NPD8601 | Approved |
0.7551 | Intermediate Similarity | NPD9010 | Approved |
0.7551 | Intermediate Similarity | NPD9008 | Approved |
0.7551 | Intermediate Similarity | NPD65 | Approved |
0.7551 | Intermediate Similarity | NPD8960 | Approved |
0.7551 | Intermediate Similarity | NPD9011 | Approved |
0.7551 | Intermediate Similarity | NPD9007 | Approved |
0.7551 | Intermediate Similarity | NPD9009 | Approved |
0.7551 | Intermediate Similarity | NPD64 | Approved |
0.7551 | Intermediate Similarity | NPD72 | Approved |
0.7551 | Intermediate Similarity | NPD66 | Approved |
0.7179 | Intermediate Similarity | NPD8205 | Approved |
0.7179 | Intermediate Similarity | NPD8202 | Approved |
0.7105 | Intermediate Similarity | NPD8619 | Approved |
0.7105 | Intermediate Similarity | NPD8617 | Approved |
0.7083 | Intermediate Similarity | NPD9005 | Phase 3 |
0.7083 | Intermediate Similarity | NPD70 | Approved |
0.7083 | Intermediate Similarity | NPD9004 | Approved |
0.7083 | Intermediate Similarity | NPD9003 | Clinical (unspecified phase) |
0.7083 | Intermediate Similarity | NPD109 | Approved |
0.7083 | Intermediate Similarity | NPD9128 | Approved |
0.7083 | Intermediate Similarity | NPD9124 | Approved |
0.7083 | Intermediate Similarity | NPD9125 | Approved |
0.7083 | Intermediate Similarity | NPD9127 | Approved |
0.7083 | Intermediate Similarity | NPD9122 | Approved |
0.7083 | Intermediate Similarity | NPD9130 | Phase 3 |
0.7083 | Intermediate Similarity | NPD9123 | Approved |
0.7083 | Intermediate Similarity | NPD108 | Approved |
0.7083 | Intermediate Similarity | NPD9121 | Approved |
0.6981 | Remote Similarity | NPD73 | Approved |
0.6939 | Remote Similarity | NPD71 | Approved |
0.6939 | Remote Similarity | NPD9126 | Approved |
0.6939 | Remote Similarity | NPD9129 | Approved |
0.6923 | Remote Similarity | NPD8618 | Approved |
0.6923 | Remote Similarity | NPD55 | Approved |
0.6923 | Remote Similarity | NPD8204 | Approved |
0.6923 | Remote Similarity | NPD8203 | Approved |
0.6923 | Remote Similarity | NPD54 | Approved |
0.6923 | Remote Similarity | NPD8206 | Approved |
0.6852 | Remote Similarity | NPD8959 | Approved |
0.6842 | Remote Similarity | NPD8593 | Approved |
0.6842 | Remote Similarity | NPD8594 | Approved |
0.6667 | Remote Similarity | NPD9002 | Approved |
0.6667 | Remote Similarity | NPD9001 | Clinical (unspecified phase) |
0.641 | Remote Similarity | NPD8549 | Clinical (unspecified phase) |
0.6275 | Remote Similarity | NPD8964 | Approved |
0.6271 | Remote Similarity | NPD8961 | Approved |
0.6098 | Remote Similarity | NPD8590 | Approved |
0.6053 | Remote Similarity | NPD8592 | Approved |
0.6053 | Remote Similarity | NPD8591 | Approved |
0.5952 | Remote Similarity | NPD8814 | Phase 3 |
0.5932 | Remote Similarity | NPD9120 | Clinical (unspecified phase) |
0.5909 | Remote Similarity | NPD8596 | Approved |
0.5873 | Remote Similarity | NPD897 | Approved |
0.5873 | Remote Similarity | NPD896 | Approved |
0.5873 | Remote Similarity | NPD898 | Approved |
0.5778 | Remote Similarity | NPD8597 | Approved |
0.5682 | Remote Similarity | NPD8857 | Approved |
0.5682 | Remote Similarity | NPD900 | Approved |
0.566 | Remote Similarity | NPD8624 | Approved |
0.5641 | Remote Similarity | NPD8207 | Approved |
PubChem CID   | 439655 |
ChEMBL   | CHEMBL1200861 |
ZINC   |
Molecular Weight:   | 150.02 |
ALogP:   | -1.7144 |
MLogP:   | 1.24 |
XLogP:   | -2.238 |
# Rotatable Bonds:   | 7 |
Polar Surface Area:   | 115.06 |
# H-Bond Aceptor:   | 6 |
# H-Bond Donor:   | 4 |
# Rings:   | 0 |
# Heavy Atoms:   | 10 |