Organism ID | Organism Name | Taxonomy Level | Family | SuperKingdom | Isolation Part | Collection Location | Collection Time | Reference |
---|---|---|---|---|---|---|---|---|
NPO16931 | Cichorium glandulosum | Species | Asteraceae | Eukaryota | TM-MC* | |||
NPO9865 | Cichorium intybus | Species | Asteraceae | Eukaryota | TM-MC* | |||
NPO7317 | Citrus aurantium | Species | Rutaceae | Eukaryota | TM-MC* | |||
NPO30745 | Chrysanthemum morifolium | Species | Asteraceae | Eukaryota |
PMID[8158164] |
|||
NPO29653 | Hippophae fructus | Species | Elaeagnaceae | Eukaryota | TCMSP* | |||
NPO11457 | Chelidonium majus | Species | Papaveraceae | Eukaryota | TCM_Taiwan* | |||
NPO26293 | Ginkgo biloba | Species | Ginkgoaceae | Eukaryota | TCM_Taiwan* |
Target ID | Target Type | Target Name | Target Organism | Activity Type | Activity Relation | Value | Unit | Reference |
---|---|---|---|---|---|---|---|---|
NPT711 | Individual Protein | Aldose reductase | Bos taurus | Inhibition | = | 0 | % | 10354396 |
NPT1567 | Protein Complex | DNA gyrase | Escherichia coli K-12 | IC50 | > | 500 | ug/ml | 10.1016/S0960-894X(01)80881-7 |
NPT19 | Organism | Escherichia coli | Escherichia coli | MIC | > | 125 | ug/ml | 10.1016/S0960-894X(01)80881-7 |
NPT566 | Organism | Salmonella typhimurium | Salmonella enterica subsp. enterica serovar Typhimurium | MIC | > | 125 | ug/ml | 10.1016/S0960-894X(01)80881-7 |
NPT1521 | Organism | Stenotrophomonas maltophilia | Stenotrophomonas maltophilia | MIC | > | 125 | ug/ml | 10.1016/S0960-894X(01)80881-7 |
NPT17 | Organism | Staphylococcus epidermidis | Staphylococcus epidermidis | MIC | > | 125 | ug/ml | 10.1016/S0960-894X(01)80881-7 |
NPT16 | Organism | Staphylococcus aureus | Staphylococcus aureus | MIC | > | 125 | ug/ml | 10.1016/S0960-894X(01)80881-7 |
NPT6 | Organism | Plasmodium falciparum | Plasmodium falciparum | IC50 | = | 24000 | nM | 16722653 |
NPT865 | Individual Protein | Fatty acid synthase | Homo sapiens | IC50 | > | 100000 | nM | 16870425 |
NPT865 | Individual Protein | Fatty acid synthase | Homo sapiens | Inhibition | = | 6.5 | % | 16870425 |
NPT1119 | Individual Protein | Arachidonate 12-lipoxygenase | Homo sapiens | IC50 | > | 100000 | nM | 17869117 |
NPT792 | Individual Protein | Arachidonate 15-lipoxygenase | Homo sapiens | IC50 | = | 73000 | nM | 17869117 |
NPT2 | Others | Unspecified | Ratio IC50 | < | 0.73 | 17869117 | ||
NPT1139 | Individual Protein | Arachidonate 15-lipoxygenase, type II | Homo sapiens | IC50 | > | 100000 | nM | 17869117 |
NPT177 | Tissue | Aorta | Rattus norvegicus | EC50 | = | 7585.78 | nM | 18307286 |
NPT177 | Tissue | Aorta | Rattus norvegicus | Activity | = | 91 | % | 18307286 |
NPT177 | Tissue | Aorta | Rattus norvegicus | Activity | = | 70 | % | 18307286 |
NPT177 | Tissue | Aorta | Rattus norvegicus | Activity | = | 83 | % | 18307286 |
NPT2 | Others | Unspecified | ID50 | > | 419.7 | nM | 1378087 | |
NPT91 | Cell Line | KB | Homo sapiens | ED50 | = | 0.2 | ug/ml | 469554 |
NPT967 | Individual Protein | Xanthine dehydrogenase | Homo sapiens | IC50 | > | 100000 | nM | 9461655 |
NPT2 | Others | Unspecified | IC50 | > | 100000 | nM | 9461655 | |
NPT4064 | Individual Protein | Hormone-sensitive lipase | Rattus norvegicus | Inhibition | = | 23 | % | 18808096 |
NPT759 | Cell Line | H9 | Homo sapiens | IC50 | = | 17000 | nM | 8158164 |
NPT24 | Organism | Human immunodeficiency virus 1 | Human immunodeficiency virus 1 | EC50 | = | 13000 | nM | 8158164 |
NPT153 | Individual Protein | Androgen Receptor | Homo sapiens | IC50 | = | 23500 | nM | 19592245 |
NPT35 | Others | n.a. | Activity | = | 0.707 | MU | 19944611 | |
NPT2 | Others | Unspecified | Activity | = | 1.06 | MU | 19944611 | |
NPT2 | Others | Unspecified | Activity | = | 0.484 | MU | 19944611 | |
NPT35 | Others | n.a. | Activity | = | 34.7 | ug/ml | 19944611 | |
NPT29 | Organism | Rattus norvegicus | Rattus norvegicus | Activity | = | 9.2 | % | 20346546 |
NPT29 | Organism | Rattus norvegicus | Rattus norvegicus | Activity | = | 60.1 | % | 20346546 |
NPT29 | Organism | Rattus norvegicus | Rattus norvegicus | Activity | = | 35.7 | % | 20346546 |
NPT29 | Organism | Rattus norvegicus | Rattus norvegicus | Activity | = | 7.7 | % | 20346546 |
NPT29 | Organism | Rattus norvegicus | Rattus norvegicus | Activity | = | 2.09 | % | 20346546 |
NPT29 | Organism | Rattus norvegicus | Rattus norvegicus | Activity | = | -16.04 | % | 20346546 |
NPT29 | Organism | Rattus norvegicus | Rattus norvegicus | Activity | = | -15.66 | % | 20346546 |
NPT29 | Organism | Rattus norvegicus | Rattus norvegicus | Activity | = | -5.92 | % | 20346546 |
NPT29 | Organism | Rattus norvegicus | Rattus norvegicus | Activity | = | 1.93 | % | 20346546 |
NPT29 | Organism | Rattus norvegicus | Rattus norvegicus | Activity | = | -10.05 | % | 20346546 |
NPT29 | Organism | Rattus norvegicus | Rattus norvegicus | Activity | = | -2.36 | % | 20346546 |
NPT29 | Organism | Rattus norvegicus | Rattus norvegicus | Activity | = | -20.2 | % | 20346546 |
NPT29 | Organism | Rattus norvegicus | Rattus norvegicus | Activity | = | -6.04 | % | 20346546 |
NPT197 | Protein-Protein Interaction | Menin/Histone-lysine N-methyltransferase MLL | Homo sapiens | Potency | = | 7943.3 | nM | PubChem BioAssay data set |
NPT483 | Individual Protein | Prelamin-A/C | Homo sapiens | Potency | = | 25118.9 | nM | PubChem BioAssay data set |
NPT48 | Individual Protein | Lysine-specific demethylase 4D-like | Homo sapiens | Potency | = | 25118.9 | nM | PubChem BioAssay data set |
NPT2 | Others | Unspecified | Potency | = | 31622.8 | nM | PubChem BioAssay data set | |
NPT531 | Individual Protein | Nuclear receptor ROR-gamma | Mus musculus | Potency | = | 7079.5 | nM | PubChem BioAssay data set |
NPT282 | Individual Protein | MAP kinase ERK2 | Homo sapiens | Potency | = | 39810.7 | nM | PubChem BioAssay data set |
NPT197 | Protein-Protein Interaction | Menin/Histone-lysine N-methyltransferase MLL | Homo sapiens | Potency | = | 39810.7 | nM | PubChem BioAssay data set |
NPT531 | Individual Protein | Nuclear receptor ROR-gamma | Mus musculus | Potency | = | 3981.1 | nM | PubChem BioAssay data set |
NPT539 | Individual Protein | Cellular tumor antigen p53 | Homo sapiens | Potency | = | 12589.3 | nM | PubChem BioAssay data set |
NPT539 | Individual Protein | Cellular tumor antigen p53 | Homo sapiens | Potency | = | 15848.9 | nM | PubChem BioAssay data set |
NPT109 | Individual Protein | Cytochrome P450 3A4 | Homo sapiens | Potency | = | 25118.9 | nM | PubChem BioAssay data set |
NPT177 | Tissue | Aorta | Rattus norvegicus | IC50 | = | 203600 | nM | 21129983 |
NPT177 | Tissue | Aorta | Rattus norvegicus | IC50 | = | 248300 | nM | 21129983 |
NPT1621 | Individual Protein | Calmodulin | Homo sapiens | IC50 | = | 55200 | nM | 21129983 |
NPT1621 | Individual Protein | Calmodulin | Homo sapiens | Ratio IC50 | = | 0.36 | 21129983 | |
NPT1139 | Individual Protein | Arachidonate 15-lipoxygenase, type II | Homo sapiens | Potency | 10000 | nM | PubChem BioAssay data set | |
NPT520 | Cell Line | 3T3-L1 | Mus musculus | Activity | = | -17.6 | % | 21493073 |
NPT520 | Cell Line | 3T3-L1 | Mus musculus | Activity | = | -10 | % | 21493073 |
NPT520 | Cell Line | 3T3-L1 | Mus musculus | Activity | = | -12.6 | % | 21493073 |
NPT520 | Cell Line | 3T3-L1 | Mus musculus | Activity | = | -31.6 | % | 21493073 |
NPT668 | Individual Protein | P-glycoprotein 1 | Homo sapiens | Kd | = | 10000 | nM | 21723648 |
NPT2 | Others | Unspecified | Potency | 25118.9 | nM | PubChem BioAssay data set | ||
NPT2 | Others | Unspecified | Potency | 35481.3 | nM | PubChem BioAssay data set | ||
NPT8 | Individual Protein | DNA polymerase iota | Homo sapiens | Potency | 79432.8 | nM | PubChem BioAssay data set | |
NPT9 | Individual Protein | DNA polymerase eta | Homo sapiens | Potency | 89125.1 | nM | PubChem BioAssay data set | |
NPT2 | Others | Unspecified | Potency | 28183.8 | nM | PubChem BioAssay data set | ||
NPT154 | Individual Protein | Mothers against decapentaplegic homolog 3 | Homo sapiens | Potency | 28183.8 | nM | PubChem BioAssay data set | |
NPT444 | Individual Protein | Ubiquitin carboxyl-terminal hydrolase 1 | Homo sapiens | Potency | 31622.8 | nM | PubChem BioAssay data set | |
NPT901 | Individual Protein | UDP-glucuronosyltransferase 1-1 | Homo sapiens | Activity | = | 370 | pm/min/mg | 10836148 |
NPT696 | Individual Protein | UDP-glucuronosyltransferase 2A1 | Homo sapiens | Activity | = | 320 | pm/min/mg | 10836148 |
NPT901 | Individual Protein | UDP-glucuronosyltransferase 1-1 | Homo sapiens | Activity | = | 114 | pm/min/mg | 10836148 |
NPT901 | Individual Protein | UDP-glucuronosyltransferase 1-1 | Homo sapiens | Activity | = | 50 | pm/min/mg | 10836148 |
NPT699 | Individual Protein | UDP-glucuronosyltransferase 1-10 | Homo sapiens | Activity | = | 30 | pm/min/mg | 10836148 |
NPT699 | Individual Protein | UDP-glucuronosyltransferase 1-10 | Homo sapiens | Activity | = | 35 | pm/min/mg | 10836148 |
NPT694 | Individual Protein | UDP-glucuronosyltransferase 1-3 | Homo sapiens | Activity | = | 604 | pm/min/mg | 10836148 |
NPT902 | Individual Protein | UDP-glucuronosyltransferase 1A4 | Homo sapiens | Activity | = | 0 | pm/min/mg | 10836148 |
NPT702 | Individual Protein | UDP-glucuronosyltransferase 1-6 | Homo sapiens | Activity | = | 0 | pm/min/mg | 10836148 |
NPT903 | Individual Protein | UDP-glucuronosyltransferase 1-7 | Homo sapiens | Activity | = | 57 | pm/min/mg | 10836148 |
NPT695 | Individual Protein | UDP-glucuronosyltransferase 1-8 | Homo sapiens | Activity | = | 531 | pm/min/mg | 10836148 |
NPT703 | Individual Protein | UDP-glucuronosyltransferase 1-9 | Homo sapiens | Activity | = | 600 | pm/min/mg | 10836148 |
NPT696 | Individual Protein | UDP-glucuronosyltransferase 2A1 | Homo sapiens | Activity | = | 163 | pm/min/mg | 10836148 |
NPT704 | Individual Protein | UDP-glucuronosyltransferase 2B15 | Homo sapiens | Activity | = | 64 | pm/min/mg | 10836148 |
NPT947 | Individual Protein | Carbonic anhydrase I | Homo sapiens | Ki | = | 5210 | nM | 22487176 |
NPT947 | Individual Protein | Carbonic anhydrase I | Homo sapiens | Ki | = | 5100 | nM | 22487176 |
NPT233 | Individual Protein | Carbonic anhydrase II | Homo sapiens | Ki | = | 9300 | nM | 22487176 |
NPT233 | Individual Protein | Carbonic anhydrase II | Homo sapiens | Ki | = | 9200 | nM | 22487176 |
NPT948 | Individual Protein | Carbonic anhydrase IX | Homo sapiens | Ki | = | 5540 | nM | 22487176 |
NPT948 | Individual Protein | Carbonic anhydrase IX | Homo sapiens | Ki | = | 5630 | nM | 22487176 |
NPT949 | Individual Protein | Carbonic anhydrase XII | Homo sapiens | Ki | = | 6590 | nM | 22487176 |
NPT949 | Individual Protein | Carbonic anhydrase XII | Homo sapiens | Ki | = | 6650 | nM | 22487176 |
NPT1629 | Cell Line | CWR22R | Homo sapiens | Activity | = | 80 | % | 22789812 |
NPT1629 | Cell Line | CWR22R | Homo sapiens | Activity | = | 124 | % | 22789812 |
NPT1629 | Cell Line | CWR22R | Homo sapiens | Activity | = | 92 | % | 22789812 |
NPT1629 | Cell Line | CWR22R | Homo sapiens | Activity | = | 100 | % | 22789812 |
NPT1629 | Cell Line | CWR22R | Homo sapiens | IC50 | = | 14900 | nM | 22789812 |
NPT10 | Individual Protein | Geminin | Homo sapiens | Potency | 32642.7 | nM | PubChem BioAssay data set | |
NPT2 | Others | Unspecified | Potency | 12589.3 | nM | PubChem BioAssay data set | ||
NPT10 | Individual Protein | Geminin | Homo sapiens | Potency | 730.8 | nM | PubChem BioAssay data set | |
NPT478 | Individual Protein | Ataxin-2 | Homo sapiens | Potency | 15848.9 | nM | PubChem BioAssay data set | |
NPT101 | Individual Protein | Glucagon-like peptide 1 receptor | Homo sapiens | Potency | 7943.3 | nM | PubChem BioAssay data set | |
NPT1 | Others | Radical scavenging activity | Inhibition | = | 66 | % | 10.1007/s00044-007-9060-5 | |
NPT2 | Others | Unspecified | Potency | 29092.9 | nM | PubChem BioAssay data set | ||
NPT2 | Others | Unspecified | Potency | 9200 | nM | PubChem BioAssay data set | ||
NPT2 | Others | Unspecified | Potency | 18356.4 | nM | PubChem BioAssay data set | ||
NPT393 | Cell Line | HCT-116 | Homo sapiens | Activity | = | 64.6 | % | 23771043 |
NPT73 | Individual Protein | Solute carrier organic anion transporter family member 1B1 | Homo sapiens | Inhibition | = | 133.45 | % | 23571415 |
NPT72 | Individual Protein | Solute carrier organic anion transporter family member 1B3 | Homo sapiens | Inhibition | = | 102.57 | % | 23571415 |
NPT2 | Others | Unspecified | Potency | 39810.7 | nM | PubChem BioAssay data set | ||
NPT49 | Individual Protein | DNA-(apurinic or apyrimidinic site) lyase | Homo sapiens | Potency | 3.2 | nM | PubChem BioAssay data set | |
NPT2847 | Tissue | Thoracic aorta | Rattus norvegicus | IC50 | = | 4265.8 | nM | 10.1039/C0MD00240B |
NPT1 | Others | Radical scavenging activity | IC50 | = | 387000 | nM | 25278230 | |
NPT2 | Others | Unspecified | Potency | 10000 | 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 NPC93730 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 |
---|---|---|
0.9483 | High Similarity | NPC32298 |
0.9417 | High Similarity | NPC193805 |
0.9402 | High Similarity | NPC54243 |
0.9237 | High Similarity | NPC35744 |
0.9187 | High Similarity | NPC22783 |
0.912 | High Similarity | NPC7569 |
0.9055 | High Similarity | NPC128216 |
0.9008 | High Similarity | NPC314329 |
0.8968 | High Similarity | NPC278787 |
0.8917 | High Similarity | NPC201284 |
0.8915 | High Similarity | NPC248872 |
0.8898 | High Similarity | NPC141549 |
0.8889 | High Similarity | NPC197425 |
0.888 | High Similarity | NPC298884 |
0.8871 | High Similarity | NPC2771 |
0.8855 | High Similarity | NPC299379 |
0.8819 | High Similarity | NPC39753 |
0.8819 | High Similarity | NPC115998 |
0.8779 | High Similarity | NPC187432 |
0.8779 | High Similarity | NPC116775 |
0.8779 | High Similarity | NPC256042 |
0.8779 | High Similarity | NPC216361 |
0.8779 | High Similarity | NPC281917 |
0.875 | High Similarity | NPC137264 |
0.8729 | High Similarity | NPC279916 |
0.8692 | High Similarity | NPC57601 |
0.8689 | High Similarity | NPC470092 |
0.8682 | High Similarity | NPC113006 |
0.8661 | High Similarity | NPC196034 |
0.8661 | High Similarity | NPC125887 |
0.8657 | High Similarity | NPC281207 |
0.8657 | High Similarity | NPC269652 |
0.8647 | High Similarity | NPC276905 |
0.8626 | High Similarity | NPC172262 |
0.8615 | High Similarity | NPC287533 |
0.8605 | High Similarity | NPC324488 |
0.8593 | High Similarity | NPC136840 |
0.8583 | High Similarity | NPC41721 |
0.8582 | High Similarity | NPC152042 |
0.8582 | High Similarity | NPC241838 |
0.8582 | High Similarity | NPC143799 |
0.856 | High Similarity | NPC472888 |
0.855 | High Similarity | NPC78540 |
0.855 | High Similarity | NPC50898 |
0.855 | High Similarity | NPC274121 |
0.855 | High Similarity | NPC213216 |
0.8519 | High Similarity | NPC103342 |
0.8519 | High Similarity | NPC103904 |
0.8519 | High Similarity | NPC59951 |
0.8519 | High Similarity | NPC146679 |
0.8519 | High Similarity | NPC184536 |
0.8519 | High Similarity | NPC230285 |
0.848 | Intermediate Similarity | NPC311219 |
0.8462 | Intermediate Similarity | NPC301717 |
0.8462 | Intermediate Similarity | NPC11173 |
0.8456 | Intermediate Similarity | NPC262094 |
0.8456 | Intermediate Similarity | NPC90582 |
0.845 | Intermediate Similarity | NPC187907 |
0.8433 | Intermediate Similarity | NPC228661 |
0.8433 | Intermediate Similarity | NPC266597 |
0.8433 | Intermediate Similarity | NPC254841 |
0.8433 | Intermediate Similarity | NPC250266 |
0.8425 | Intermediate Similarity | NPC4164 |
0.8425 | Intermediate Similarity | NPC224657 |
0.8421 | Intermediate Similarity | NPC9985 |
0.8421 | Intermediate Similarity | NPC239495 |
0.8397 | Intermediate Similarity | NPC284424 |
0.8394 | Intermediate Similarity | NPC200694 |
0.8394 | Intermediate Similarity | NPC473042 |
0.8387 | Intermediate Similarity | NPC246214 |
0.837 | Intermediate Similarity | NPC18457 |
0.8359 | Intermediate Similarity | NPC474264 |
0.8358 | Intermediate Similarity | NPC194281 |
0.8358 | Intermediate Similarity | NPC231772 |
0.8358 | Intermediate Similarity | NPC124784 |
0.8358 | Intermediate Similarity | NPC13408 |
0.8358 | Intermediate Similarity | NPC127447 |
0.8358 | Intermediate Similarity | NPC61546 |
0.8358 | Intermediate Similarity | NPC29353 |
0.8358 | Intermediate Similarity | NPC234133 |
0.8358 | Intermediate Similarity | NPC473887 |
0.8358 | Intermediate Similarity | NPC47815 |
0.8358 | Intermediate Similarity | NPC72452 |
0.8333 | Intermediate Similarity | NPC24821 |
0.8333 | Intermediate Similarity | NPC190637 |
0.8333 | Intermediate Similarity | NPC212932 |
0.8333 | Intermediate Similarity | NPC470216 |
0.8333 | Intermediate Similarity | NPC477536 |
0.8333 | Intermediate Similarity | NPC293053 |
0.8333 | Intermediate Similarity | NPC9117 |
0.8321 | Intermediate Similarity | NPC205360 |
0.8308 | Intermediate Similarity | NPC238309 |
0.8308 | Intermediate Similarity | NPC473019 |
0.8296 | Intermediate Similarity | NPC275055 |
0.8296 | Intermediate Similarity | NPC84585 |
0.8296 | Intermediate Similarity | NPC290291 |
0.8296 | Intermediate Similarity | NPC476480 |
0.8295 | Intermediate Similarity | NPC470841 |
0.8286 | Intermediate Similarity | NPC51443 |
0.8286 | Intermediate Similarity | NPC74881 |
0.8284 | Intermediate Similarity | NPC77955 |
0.8284 | Intermediate Similarity | NPC472881 |
0.8273 | Intermediate Similarity | NPC273538 |
0.8273 | Intermediate Similarity | NPC216538 |
0.8273 | Intermediate Similarity | NPC326500 |
0.8271 | Intermediate Similarity | NPC292998 |
0.8264 | Intermediate Similarity | NPC53953 |
0.8261 | Intermediate Similarity | NPC471520 |
0.8258 | Intermediate Similarity | NPC278556 |
0.8258 | Intermediate Similarity | NPC118253 |
0.8248 | Intermediate Similarity | NPC475680 |
0.8248 | Intermediate Similarity | NPC172986 |
0.8248 | Intermediate Similarity | NPC270883 |
0.8248 | Intermediate Similarity | NPC235239 |
0.8248 | Intermediate Similarity | NPC145673 |
0.8248 | Intermediate Similarity | NPC261227 |
0.8248 | Intermediate Similarity | NPC305355 |
0.8244 | Intermediate Similarity | NPC228184 |
0.824 | Intermediate Similarity | NPC233282 |
0.824 | Intermediate Similarity | NPC230951 |
0.8235 | Intermediate Similarity | NPC201395 |
0.8235 | Intermediate Similarity | NPC147686 |
0.8235 | Intermediate Similarity | NPC280284 |
0.8235 | Intermediate Similarity | NPC329225 |
0.8235 | Intermediate Similarity | NPC188947 |
0.8235 | Intermediate Similarity | NPC472460 |
0.8235 | Intermediate Similarity | NPC99333 |
0.8226 | Intermediate Similarity | NPC171023 |
0.8226 | Intermediate Similarity | NPC152159 |
0.8222 | Intermediate Similarity | NPC477534 |
0.8222 | Intermediate Similarity | NPC240593 |
0.822 | Intermediate Similarity | NPC141523 |
0.8217 | Intermediate Similarity | NPC237868 |
0.8214 | Intermediate Similarity | NPC1940 |
0.8214 | Intermediate Similarity | NPC148011 |
0.8214 | Intermediate Similarity | NPC124729 |
0.8214 | Intermediate Similarity | NPC306488 |
0.8214 | Intermediate Similarity | NPC229190 |
0.8214 | Intermediate Similarity | NPC5820 |
0.8214 | Intermediate Similarity | NPC20791 |
0.8214 | Intermediate Similarity | NPC179271 |
0.8214 | Intermediate Similarity | NPC178343 |
0.8214 | Intermediate Similarity | NPC153758 |
0.8203 | Intermediate Similarity | NPC107846 |
0.8203 | Intermediate Similarity | NPC56332 |
0.8201 | Intermediate Similarity | NPC158874 |
0.8195 | Intermediate Similarity | NPC473655 |
0.8195 | Intermediate Similarity | NPC101294 |
0.8188 | Intermediate Similarity | NPC110969 |
0.8188 | Intermediate Similarity | NPC310128 |
0.8188 | Intermediate Similarity | NPC147688 |
0.8188 | Intermediate Similarity | NPC156590 |
0.8188 | Intermediate Similarity | NPC118840 |
0.8188 | Intermediate Similarity | NPC205006 |
0.8188 | Intermediate Similarity | NPC103362 |
0.8188 | Intermediate Similarity | NPC64908 |
0.8182 | Intermediate Similarity | NPC5515 |
0.8182 | Intermediate Similarity | NPC270369 |
0.8175 | Intermediate Similarity | NPC216978 |
0.8175 | Intermediate Similarity | NPC303633 |
0.8175 | Intermediate Similarity | NPC18260 |
0.8175 | Intermediate Similarity | NPC301217 |
0.8175 | Intermediate Similarity | NPC55018 |
0.8175 | Intermediate Similarity | NPC261234 |
0.8175 | Intermediate Similarity | NPC78913 |
0.8175 | Intermediate Similarity | NPC96565 |
0.8175 | Intermediate Similarity | NPC220062 |
0.8162 | Intermediate Similarity | NPC188879 |
0.8162 | Intermediate Similarity | NPC295261 |
0.8162 | Intermediate Similarity | NPC160972 |
0.8162 | Intermediate Similarity | NPC32441 |
0.8162 | Intermediate Similarity | NPC12296 |
0.8162 | Intermediate Similarity | NPC107586 |
0.8162 | Intermediate Similarity | NPC79943 |
0.8162 | Intermediate Similarity | NPC243083 |
0.8162 | Intermediate Similarity | NPC287246 |
0.8162 | Intermediate Similarity | NPC296490 |
0.8162 | Intermediate Similarity | NPC13768 |
0.8162 | Intermediate Similarity | NPC287068 |
0.8156 | Intermediate Similarity | NPC14001 |
0.8156 | Intermediate Similarity | NPC166757 |
0.8151 | Intermediate Similarity | NPC224584 |
0.8148 | Intermediate Similarity | NPC234560 |
0.8148 | Intermediate Similarity | NPC39426 |
0.8148 | Intermediate Similarity | NPC324929 |
0.8148 | Intermediate Similarity | NPC151113 |
0.8145 | Intermediate Similarity | NPC45104 |
0.8145 | Intermediate Similarity | NPC217423 |
0.8143 | Intermediate Similarity | NPC142731 |
0.8143 | Intermediate Similarity | NPC306607 |
0.8143 | Intermediate Similarity | NPC49130 |
0.8143 | Intermediate Similarity | NPC70136 |
0.8143 | Intermediate Similarity | NPC4152 |
0.8143 | Intermediate Similarity | NPC208176 |
0.8143 | Intermediate Similarity | NPC62290 |
0.8143 | Intermediate Similarity | NPC279417 |
0.8143 | Intermediate Similarity | NPC326506 |
0.813 | Intermediate Similarity | NPC188907 |
0.8129 | Intermediate Similarity | NPC226636 |
0.8129 | Intermediate Similarity | NPC1534 |
Similarity level is defined by Tanimoto coefficient (Tc) between two molecules.
●  The left chart: Distribution of similarity level between NPC93730 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 |
---|---|---|---|
0.9008 | High Similarity | NPD1547 | Clinical (unspecified phase) |
0.8968 | High Similarity | NPD2313 | Discontinued |
0.872 | High Similarity | NPD1203 | Approved |
0.8651 | High Similarity | NPD2798 | Approved |
0.848 | Intermediate Similarity | NPD9717 | Approved |
0.8296 | Intermediate Similarity | NPD2346 | Discontinued |
0.8284 | Intermediate Similarity | NPD2799 | Discontinued |
0.8273 | Intermediate Similarity | NPD4378 | Clinical (unspecified phase) |
0.8235 | Intermediate Similarity | NPD1549 | Phase 2 |
0.8231 | Intermediate Similarity | NPD6832 | Phase 2 |
0.8214 | Intermediate Similarity | NPD1512 | Approved |
0.8162 | Intermediate Similarity | NPD1552 | Clinical (unspecified phase) |
0.8162 | Intermediate Similarity | NPD2344 | Approved |
0.8162 | Intermediate Similarity | NPD1550 | Clinical (unspecified phase) |
0.8148 | Intermediate Similarity | NPD1510 | Phase 2 |
0.8143 | Intermediate Similarity | NPD5401 | Approved |
0.814 | Intermediate Similarity | NPD2797 | Approved |
0.812 | Intermediate Similarity | NPD1240 | Approved |
0.8115 | Intermediate Similarity | NPD1241 | Discontinued |
0.8088 | Intermediate Similarity | NPD2796 | Approved |
0.8071 | Intermediate Similarity | NPD1511 | Approved |
0.8028 | Intermediate Similarity | NPD5403 | Approved |
0.8015 | Intermediate Similarity | NPD4308 | Phase 3 |
0.8 | Intermediate Similarity | NPD1607 | Approved |
0.797 | Intermediate Similarity | NPD3268 | Approved |
0.7956 | Intermediate Similarity | NPD1551 | Phase 2 |
0.7943 | Intermediate Similarity | NPD6799 | Approved |
0.7939 | Intermediate Similarity | NPD1019 | Discontinued |
0.7929 | Intermediate Similarity | NPD2309 | Approved |
0.7926 | Intermediate Similarity | NPD1899 | Clinical (unspecified phase) |
0.7926 | Intermediate Similarity | NPD1933 | Approved |
0.7926 | Intermediate Similarity | NPD447 | Suspended |
0.792 | Intermediate Similarity | NPD9493 | Approved |
0.7887 | Intermediate Similarity | NPD7410 | Clinical (unspecified phase) |
0.7863 | Intermediate Similarity | NPD3266 | Approved |
0.7863 | Intermediate Similarity | NPD3267 | Approved |
0.7857 | Intermediate Similarity | NPD3750 | Approved |
0.7852 | Intermediate Similarity | NPD4307 | Phase 2 |
0.7836 | Intermediate Similarity | NPD411 | Approved |
0.7826 | Intermediate Similarity | NPD2935 | Discontinued |
0.7793 | Intermediate Similarity | NPD3226 | Approved |
0.7786 | Intermediate Similarity | NPD3225 | Approved |
0.7786 | Intermediate Similarity | NPD7421 | Clinical (unspecified phase) |
0.777 | Intermediate Similarity | NPD5402 | Approved |
0.777 | Intermediate Similarity | NPD1471 | Phase 3 |
0.777 | Intermediate Similarity | NPD2343 | Clinical (unspecified phase) |
0.7769 | Intermediate Similarity | NPD1481 | Phase 2 |
0.7755 | Intermediate Similarity | NPD6844 | Discontinued |
0.7754 | Intermediate Similarity | NPD3748 | Approved |
0.775 | Intermediate Similarity | NPD9697 | Approved |
0.7704 | Intermediate Similarity | NPD6798 | Discontinued |
0.7703 | Intermediate Similarity | NPD7096 | Clinical (unspecified phase) |
0.7692 | Intermediate Similarity | NPD1535 | Discovery |
0.7692 | Intermediate Similarity | NPD1201 | Approved |
0.7656 | Intermediate Similarity | NPD1894 | Discontinued |
0.7651 | Intermediate Similarity | NPD3817 | Phase 2 |
0.7639 | Intermediate Similarity | NPD4662 | Approved |
0.7639 | Intermediate Similarity | NPD4661 | Approved |
0.7638 | Intermediate Similarity | NPD405 | Clinical (unspecified phase) |
0.7635 | Intermediate Similarity | NPD6801 | Discontinued |
0.7634 | Intermediate Similarity | NPD3972 | Approved |
0.7634 | Intermediate Similarity | NPD1608 | Approved |
0.7623 | Intermediate Similarity | NPD9267 | Approved |
0.7623 | Intermediate Similarity | NPD9264 | Approved |
0.7623 | Intermediate Similarity | NPD9263 | Approved |
0.7619 | Intermediate Similarity | NPD4380 | Phase 2 |
0.7619 | Intermediate Similarity | NPD6599 | Discontinued |
0.7594 | Intermediate Similarity | NPD1470 | Approved |
0.7584 | Intermediate Similarity | NPD2801 | Approved |
0.7568 | Intermediate Similarity | NPD7411 | Suspended |
0.7561 | Intermediate Similarity | NPD74 | Approved |
0.7561 | Intermediate Similarity | NPD9266 | Approved |
0.7552 | Intermediate Similarity | NPD2354 | Approved |
0.755 | Intermediate Similarity | NPD7075 | Discontinued |
0.755 | Intermediate Similarity | NPD4381 | Clinical (unspecified phase) |
0.7541 | Intermediate Similarity | NPD968 | Approved |
0.7535 | Intermediate Similarity | NPD1243 | Approved |
0.7519 | Intermediate Similarity | NPD1876 | Approved |
0.7518 | Intermediate Similarity | NPD6233 | Phase 2 |
0.7517 | Intermediate Similarity | NPD1934 | Approved |
0.7483 | Intermediate Similarity | NPD3882 | Suspended |
0.7483 | Intermediate Similarity | NPD1878 | Clinical (unspecified phase) |
0.7467 | Intermediate Similarity | NPD2393 | Clinical (unspecified phase) |
0.7467 | Intermediate Similarity | NPD7819 | Suspended |
0.7466 | Intermediate Similarity | NPD5049 | Phase 3 |
0.7438 | Intermediate Similarity | NPD9261 | Approved |
0.7431 | Intermediate Similarity | NPD3295 | Clinical (unspecified phase) |
0.741 | Intermediate Similarity | NPD1184 | Approved |
0.741 | Intermediate Similarity | NPD6355 | Discontinued |
0.7405 | Intermediate Similarity | NPD17 | Approved |
0.7397 | Intermediate Similarity | NPD642 | Clinical (unspecified phase) |
0.7394 | Intermediate Similarity | NPD2353 | Approved |
0.7394 | Intermediate Similarity | NPD2355 | Clinical (unspecified phase) |
0.7385 | Intermediate Similarity | NPD1548 | Phase 1 |
0.7379 | Intermediate Similarity | NPD7440 | Discontinued |
0.7379 | Intermediate Similarity | NPD643 | Clinical (unspecified phase) |
0.7377 | Intermediate Similarity | NPD1237 | Approved |
0.7376 | Intermediate Similarity | NPD7033 | Discontinued |
0.7343 | Intermediate Similarity | NPD970 | Clinical (unspecified phase) |
0.7333 | Intermediate Similarity | NPD1164 | Approved |
0.732 | Intermediate Similarity | NPD3749 | Approved |
0.7319 | Intermediate Similarity | NPD6859 | Clinical (unspecified phase) |
0.7303 | Intermediate Similarity | NPD8443 | Clinical (unspecified phase) |
0.7303 | Intermediate Similarity | NPD2296 | Approved |
0.7297 | Intermediate Similarity | NPD920 | Approved |
0.7293 | Intermediate Similarity | NPD422 | Phase 1 |
0.7267 | Intermediate Similarity | NPD6585 | Discontinued |
0.7266 | Intermediate Similarity | NPD4062 | Phase 3 |
0.7261 | Intermediate Similarity | NPD6168 | Clinical (unspecified phase) |
0.7261 | Intermediate Similarity | NPD6167 | Clinical (unspecified phase) |
0.7261 | Intermediate Similarity | NPD6166 | Phase 2 |
0.7255 | Intermediate Similarity | NPD7768 | Phase 2 |
0.7252 | Intermediate Similarity | NPD9545 | Approved |
0.7244 | Intermediate Similarity | NPD1609 | Clinical (unspecified phase) |
0.7241 | Intermediate Similarity | NPD4628 | Phase 3 |
0.7241 | Intermediate Similarity | NPD7003 | Approved |
0.7233 | Intermediate Similarity | NPD7804 | Clinical (unspecified phase) |
0.7219 | Intermediate Similarity | NPD5889 | Approved |
0.7219 | Intermediate Similarity | NPD5890 | Approved |
0.7214 | Intermediate Similarity | NPD3140 | Approved |
0.7214 | Intermediate Similarity | NPD3142 | Approved |
0.7209 | Intermediate Similarity | NPD9281 | Approved |
0.72 | Intermediate Similarity | NPD5808 | Clinical (unspecified phase) |
0.72 | Intermediate Similarity | NPD290 | Approved |
0.7194 | Intermediate Similarity | NPD3764 | Approved |
0.7192 | Intermediate Similarity | NPD3887 | Approved |
0.719 | Intermediate Similarity | NPD1238 | Approved |
0.7188 | Intermediate Similarity | NPD5535 | Approved |
0.7172 | Intermediate Similarity | NPD2800 | Approved |
0.717 | Intermediate Similarity | NPD3818 | Discontinued |
0.7163 | Intermediate Similarity | NPD4622 | Approved |
0.7163 | Intermediate Similarity | NPD4618 | Approved |
0.7154 | Intermediate Similarity | NPD6671 | Approved |
0.7143 | Intermediate Similarity | NPD6797 | Phase 2 |
0.7143 | Intermediate Similarity | NPD1778 | Approved |
0.7132 | Intermediate Similarity | NPD1283 | Approved |
0.7122 | Intermediate Similarity | NPD7095 | Approved |
0.7114 | Intermediate Similarity | NPD6273 | Approved |
0.7105 | Intermediate Similarity | NPD2366 | Approved |
0.7099 | Intermediate Similarity | NPD7251 | Discontinued |
0.7092 | Intermediate Similarity | NPD943 | Approved |
0.709 | Intermediate Similarity | NPD3496 | Discontinued |
0.7083 | Intermediate Similarity | NPD4477 | Approved |
0.7083 | Intermediate Similarity | NPD1501 | Clinical (unspecified phase) |
0.7083 | Intermediate Similarity | NPD4476 | Approved |
0.7071 | Intermediate Similarity | NPD1296 | Phase 2 |
0.707 | Intermediate Similarity | NPD1247 | Approved |
0.7068 | Intermediate Similarity | NPD1651 | Approved |
0.7068 | Intermediate Similarity | NPD5585 | Approved |
0.7063 | Intermediate Similarity | NPD5689 | Approved |
0.7063 | Intermediate Similarity | NPD5688 | Approved |
0.7059 | Intermediate Similarity | NPD6280 | Approved |
0.7059 | Intermediate Similarity | NPD6279 | Approved |
0.7055 | Intermediate Similarity | NPD7808 | Phase 3 |
0.7055 | Intermediate Similarity | NPD4338 | Clinical (unspecified phase) |
0.7051 | Intermediate Similarity | NPD919 | Approved |
0.705 | Intermediate Similarity | NPD2614 | Approved |
0.7044 | Intermediate Similarity | NPD7784 | Clinical (unspecified phase) |
0.7044 | Intermediate Similarity | NPD7852 | Clinical (unspecified phase) |
0.7037 | Intermediate Similarity | NPD1610 | Phase 2 |
0.7019 | Intermediate Similarity | NPD7054 | Approved |
0.7006 | Intermediate Similarity | NPD5494 | Approved |
0.6987 | Remote Similarity | NPD955 | Approved |
0.6986 | Remote Similarity | NPD2897 | Discontinued |
0.6978 | Remote Similarity | NPD9494 | Approved |
0.6978 | Remote Similarity | NPD454 | Approved |
0.6975 | Remote Similarity | NPD7472 | Approved |
0.6974 | Remote Similarity | NPD2649 | Approved |
0.6974 | Remote Similarity | NPD7458 | Discontinued |
0.6974 | Remote Similarity | NPD2651 | Approved |
0.6968 | Remote Similarity | NPD4288 | Approved |
0.6966 | Remote Similarity | NPD6100 | Approved |
0.6966 | Remote Similarity | NPD6099 | Approved |
0.6963 | Remote Similarity | NPD3847 | Discontinued |
0.6962 | Remote Similarity | NPD6959 | Discontinued |
0.6948 | Remote Similarity | NPD7577 | Discontinued |
0.6947 | Remote Similarity | NPD690 | Clinical (unspecified phase) |
0.6944 | Remote Similarity | NPD1536 | Approved |
0.6943 | Remote Similarity | NPD3252 | Approved |
0.6934 | Remote Similarity | NPD4379 | Clinical (unspecified phase) |
0.6929 | Remote Similarity | NPD9265 | Clinical (unspecified phase) |
0.6923 | Remote Similarity | NPD4868 | Clinical (unspecified phase) |
0.6923 | Remote Similarity | NPD4340 | Discontinued |
0.6918 | Remote Similarity | NPD6800 | Clinical (unspecified phase) |
0.6917 | Remote Similarity | NPD5536 | Phase 2 |
0.6912 | Remote Similarity | NPD1281 | Approved |
0.6912 | Remote Similarity | NPD1611 | Approved |
0.6906 | Remote Similarity | NPD5647 | Approved |
0.6901 | Remote Similarity | NPD520 | Approved |
0.6897 | Remote Similarity | NPD1509 | Clinical (unspecified phase) |
0.6897 | Remote Similarity | NPD651 | Clinical (unspecified phase) |
0.6892 | Remote Similarity | NPD6398 | Clinical (unspecified phase) |
0.689 | Remote Similarity | NPD6559 | Discontinued |
0.6879 | Remote Similarity | NPD8005 | Clinical (unspecified phase) |
0.6875 | Remote Similarity | NPD3926 | Phase 2 |
0.6875 | Remote Similarity | NPD2684 | Approved |
0.6871 | Remote Similarity | NPD7074 | Phase 3 |
0.6871 | Remote Similarity | NPD4534 | Discontinued |
0.6871 | Remote Similarity | NPD5958 | Discontinued |
0.6863 | Remote Similarity | NPD3769 | Discontinued |
PubChem CID   | 11349 |
ChEMBL   | CHEMBL294009 |
ZINC   |
Molecular Weight:   | 238.06 |
ALogP:   | -0.96 |
MLogP:   | 2.78 |
XLogP:   | 5.648 |
# Rotatable Bonds:   | 2 |
Polar Surface Area:   | 46.53 |
# H-Bond Aceptor:   | 2 |
# H-Bond Donor:   | 1 |
# Rings:   | 3 |
# Heavy Atoms:   | 18 |