Organism ID | Organism Name | Taxonomy Level | Family | SuperKingdom | Isolation Part | Collection Location | Collection Time | Reference |
---|---|---|---|---|---|---|---|---|
NPO18781 | Hyoscyamus niger | Species | Solanaceae | Eukaryota | TCM_Taiwan* | |||
NPO236 | Sojae semen nigrum | NA | NA | NA | TCMSP* | |||
NPO21324 | Plantago major | Species | Plantaginaceae | Eukaryota | TCM_Taiwan* | |||
NPO24176 | Streptomyces fradiae | Species | Streptomycetaceae | Bacteria | StreptomeDB* | |||
NPO24176.26 | Streptomyces fradiae t1558 | Subspecies | Streptomycetaceae | Bacteria | StreptomeDB* | |||
NPO21373 | Vitex trifolia | Species | Lamiaceae | Eukaryota | TCM_Taiwan* | |||
NPO23125.5 | Streptomyces galilaeus atcc 31615 | Subspecies | Streptomycetaceae | Bacteria | StreptomeDB* | |||
NPO21707 | Trichosanthes kirilowii | Species | Cucurbitaceae | Eukaryota | TCM_Taiwan* | |||
NPO2921 | Angelica acutiloba | Species | Apiaceae | Eukaryota | TM-MC* | |||
NPO22715 | Alpinia oxyphylla | Species | Zingiberaceae | Eukaryota | TCM_Taiwan* | |||
NPO11438 | Angelica gigas | Species | Apiaceae | Eukaryota | TM-MC* | |||
NPO23053 | Strychnos nitida | Species | Loganiaceae | Eukaryota | TCM_Taiwan* | |||
NPO25426 | Arachis hypogaea | Species | Fabaceae | Eukaryota | TCM_Taiwan* | |||
NPO26293 | Ginkgo biloba | Species | Ginkgoaceae | Eukaryota | TCM_Taiwan* | |||
NPO26622 | Taraxacum officinale | Species | Asteraceae | Eukaryota | TCM_Taiwan* | |||
NPO28047 | Iris florentina | Species | Tarachodidae | Eukaryota | TCM_Taiwan* | |||
NPO28914 | Caragana sinica | Species | Fabaceae | Eukaryota | TCM_Taiwan* | |||
NPO2978 | Croton tiglium | Species | Euphorbiaceae | Eukaryota | TCM_Taiwan* | |||
NPO30150 | Psoralea corylifolia | Species | Fabaceae | Eukaryota | TCM_Taiwan* | |||
NPO15462 | Angelica sinensis | Species | Apiaceae | Eukaryota | TM-MC* | |||
NPO30526 | Notopterygium incisum | NA | NA | NA | TCM_Taiwan* | |||
NPO7698 | Elettaria cardamomum | Species | Zingiberaceae | Eukaryota | TM-MC* | |||
NPO31199 | Jnula britannica | NA | NA | NA | TCM_Taiwan* | |||
NPO3478 | Nelumbo nucifera | Species | Nelumbonaceae | Eukaryota | TM-MC* | |||
NPO31579 | Artemisia capillaries | Species | Asteraceae | Eukaryota | TCM_Taiwan* | |||
NPO3292 | Desmodium styracifolium | Species | Fabaceae | Eukaryota | TCM_Taiwan* | |||
NPO4702 | Trichosanthes rosthornii | Species | Cucurbitaceae | Eukaryota | TCM_Taiwan* | |||
NPO4795 | Prunus armeniaca | Species | Rosaceae | Eukaryota | TCM_Taiwan* | |||
NPO5241 | Myristica fragrans | Species | Myristicaceae | Eukaryota | TCM_Taiwan* | |||
NPO11100 | Artemisia capillaris | Species | Asteraceae | Eukaryota | TCM_Taiwan* | |||
NPO5986 | Ziziphus jujuba | Species | Rhamnaceae | Eukaryota | TCM_Taiwan* | |||
NPO13501 | Gynura segetum | Species | Asteraceae | Eukaryota | TCM_Taiwan* | |||
NPO8101 | Rehmannia glutinosa | Species | Orobanchaceae | Eukaryota | TCM_Taiwan* | |||
NPO15095 | Hippophae rhamnoides | Species | Elaeagnaceae | Eukaryota | TCM_Taiwan* | |||
NPO9662 | Conioselinum vaginatum | Species | Apiaceae | Eukaryota | TCM_Taiwan* | |||
NPO15462 | Angelica sinensis | Species | Apiaceae | Eukaryota | TCM_Taiwan* | |||
NPO24324 | Halobacterium salinarum | Species | Halobacteriaceae | Archaea | UNPD* | |||
NPO16741 | Codonopsis pilosula | Species | Campanulaceae | Eukaryota | TCM_Taiwan* | |||
NPO19494 | Alstonia boonei | Species | Apocynaceae | Eukaryota | UNPD* | |||
NPO17823 | Lycium chinense | Species | Solanaceae | Eukaryota | TCM_Taiwan* | |||
NPO23597 | Monanthotaxis buchananii | Species | Annonaceae | Eukaryota | UNPD* | |||
NPO1797 | Homo sapiens | Species | Hominidae | Eukaryota | cerebrospinal fluid | Geigy Scientific Tables, 8th Rev edition. Edited by C. Lentner, West Cadwell, N.J.: Medical education Div., Ciba-Geigy Corp., Basel, Switzerland c1981-1992. | ||
NPO24712 | Eria rupestris | Species | Orchidaceae | Eukaryota | UNPD* | |||
NPO1797 | Homo sapiens | Species | Hominidae | Eukaryota | urine | Geigy Scientific Tables, 8th Rev edition. Edited by C. Lentner, West Cadwell, N.J.: Medical education Div., Ciba-Geigy Corp., Basel, Switzerland c1981-1992. | ||
NPO25611 | Smilax china | Species | Smilacaceae | Eukaryota | UNPD* | |||
NPO1797 | Homo sapiens | Species | Hominidae | Eukaryota | blood | Geigy Scientific Tables, 8th Rev edition. Edited by C. Lentner, West Cadwell, N.J.: Medical education Div., Ciba-Geigy Corp., Basel, Switzerland c1981-1992. | ||
NPO20949 | Paederiae scandentis herba | NA | NA | NA | TCMSP* | |||
NPO1797 | Homo sapiens | Species | Hominidae | Eukaryota | saliva |
PMID[19259987] |
||
NPO10477 | Bomboo juice | NA | NA | NA | TCMSP* | |||
NPO1797 | Homo sapiens | Species | Hominidae | Eukaryota | Faeces |
PMID[21494609] |
||
NPO16472 | Ginkgo semen | Species | Ginkgoaceae | Eukaryota | TCMSP* | |||
NPO18311 | Carthamus tinctorius | Species | Asteraceae | Eukaryota | TCM_Taiwan* | |||
NPO28423 | Apocyniveneti folium | NA | NA | NA | TCMSP* |
Target ID | Target Type | Target Name | Target Organism | Activity Type | Activity Relation | Value | Unit | Reference |
---|---|---|---|---|---|---|---|---|
NPT20 | Organism | Candida albicans | Candida albicans | MIC | = | 3.2 | ug/ml | 9873584 |
NPT312 | Organism | Saccharomyces cerevisiae | Saccharomyces cerevisiae | MIC | = | 3.2 | ug/ml | 9873584 |
NPT111 | Cell Line | K562 | Homo sapiens | IC50 | = | 4000000 | nM | 10560743 |
NPT661 | Individual Protein | Solute carrier family 22 member 6 | Mus musculus | Ki | = | 8128305.16 | nM | 17553798 |
NPT661 | Individual Protein | Solute carrier family 22 member 6 | Mus musculus | Ki | = | 8180000 | nM | 17553798 |
NPT662 | Individual Protein | Solute carrier family 22 member 20 | Mus musculus | Ki | = | 281838.29 | nM | 17553798 |
NPT662 | Individual Protein | Solute carrier family 22 member 20 | Mus musculus | Ki | = | 279000 | nM | 17553798 |
NPT664 | Protein Family | Histone deacetylase | Homo sapiens | Activity | = | 80 | % | 19520580 |
NPT3731 | Individual Protein | Free fatty acid receptor 2 | Homo sapiens | IC50 | = | 130000 | nM | 20005104 |
NPT32 | Organism | Mus musculus | Mus musculus | LD50 | = | 5100 | mg/kg | 19465932 |
NPT113 | Cell Line | RAW264.7 | Mus musculus | LD50 | > | 0.01 | nM | 21903399 |
NPT74 | Individual Protein | Proto-oncogene c-JUN | Homo sapiens | Potency | 77606.2 | nM | PubChem BioAssay data set | |
NPT2 | Others | Unspecified | Potency | 61130.6 | 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 NPC181153 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 |
---|---|---|
0.85 | High Similarity | NPC68873 |
0.8333 | Intermediate Similarity | NPC149209 |
0.8333 | Intermediate Similarity | NPC314668 |
0.8333 | Intermediate Similarity | NPC286233 |
0.8333 | Intermediate Similarity | NPC230726 |
0.7619 | Intermediate Similarity | NPC283245 |
0.76 | Intermediate Similarity | NPC3343 |
0.7407 | Intermediate Similarity | NPC61066 |
0.7407 | Intermediate Similarity | NPC292641 |
0.7407 | Intermediate Similarity | NPC151140 |
0.7407 | Intermediate Similarity | NPC174368 |
0.7407 | Intermediate Similarity | NPC122768 |
0.7407 | Intermediate Similarity | NPC104195 |
0.7308 | Intermediate Similarity | NPC320704 |
0.7143 | Intermediate Similarity | NPC241404 |
0.7143 | Intermediate Similarity | NPC320981 |
0.7083 | Intermediate Similarity | NPC203105 |
0.7083 | Intermediate Similarity | NPC8187 |
0.7037 | Intermediate Similarity | NPC236709 |
0.6897 | Remote Similarity | NPC307739 |
0.6897 | Remote Similarity | NPC280532 |
0.6897 | Remote Similarity | NPC328569 |
0.6897 | Remote Similarity | NPC212144 |
0.6897 | Remote Similarity | NPC76217 |
0.6818 | Remote Similarity | NPC137050 |
0.6818 | Remote Similarity | NPC7922 |
0.6667 | Remote Similarity | NPC14778 |
0.6667 | Remote Similarity | NPC175342 |
0.6552 | Remote Similarity | NPC16947 |
0.6552 | Remote Similarity | NPC198126 |
0.6538 | Remote Similarity | NPC28246 |
0.6538 | Remote Similarity | NPC41485 |
0.6538 | Remote Similarity | NPC32280 |
0.6522 | Remote Similarity | NPC37493 |
0.6452 | Remote Similarity | NPC307027 |
0.6452 | Remote Similarity | NPC127142 |
0.6452 | Remote Similarity | NPC217161 |
0.6452 | Remote Similarity | NPC7814 |
0.6296 | Remote Similarity | NPC166804 |
0.6296 | Remote Similarity | NPC211250 |
0.625 | Remote Similarity | NPC316685 |
0.625 | Remote Similarity | NPC168052 |
0.625 | Remote Similarity | NPC250870 |
0.625 | Remote Similarity | NPC191084 |
0.625 | Remote Similarity | NPC260610 |
0.6154 | Remote Similarity | NPC110107 |
0.6129 | Remote Similarity | NPC328710 |
0.6129 | Remote Similarity | NPC125575 |
0.6129 | Remote Similarity | NPC18224 |
0.6129 | Remote Similarity | NPC114517 |
0.6087 | Remote Similarity | NPC171188 |
0.6071 | Remote Similarity | NPC143211 |
0.6061 | Remote Similarity | NPC21290 |
0.6061 | Remote Similarity | NPC5505 |
0.6061 | Remote Similarity | NPC9294 |
0.6061 | Remote Similarity | NPC155263 |
0.6061 | Remote Similarity | NPC116709 |
0.6061 | Remote Similarity | NPC272614 |
0.5926 | Remote Similarity | NPC3693 |
0.5926 | Remote Similarity | NPC165122 |
0.5882 | Remote Similarity | NPC158179 |
0.5882 | Remote Similarity | NPC317945 |
0.5882 | Remote Similarity | NPC206924 |
0.5882 | Remote Similarity | NPC252843 |
0.5882 | Remote Similarity | NPC109026 |
0.5862 | Remote Similarity | NPC316272 |
0.5862 | Remote Similarity | NPC55956 |
0.5862 | Remote Similarity | NPC20903 |
0.5769 | Remote Similarity | NPC102686 |
0.5769 | Remote Similarity | NPC307812 |
0.5769 | Remote Similarity | NPC23508 |
0.5758 | Remote Similarity | NPC325165 |
0.5758 | Remote Similarity | NPC317203 |
0.5714 | Remote Similarity | NPC73245 |
0.5714 | Remote Similarity | NPC127134 |
0.5714 | Remote Similarity | NPC201132 |
0.5714 | Remote Similarity | NPC325454 |
0.5714 | Remote Similarity | NPC259649 |
0.5714 | Remote Similarity | NPC38930 |
0.5667 | Remote Similarity | NPC180423 |
0.5667 | Remote Similarity | NPC248139 |
0.5667 | Remote Similarity | NPC127696 |
0.5667 | Remote Similarity | NPC270334 |
Similarity level is defined by Tanimoto coefficient (Tc) between two molecules.
●  The left chart: Distribution of similarity level between NPC181153 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 | NPD8201 | Phase 2 |
0.85 | High Similarity | NPD8200 | Phase 2 |
0.85 | High Similarity | NPD7364 | Approved |
0.8333 | Intermediate Similarity | NPD8189 | Approved |
0.7391 | Intermediate Similarity | NPD8615 | Phase 2 |
0.7391 | Intermediate Similarity | NPD8616 | Clinical (unspecified phase) |
0.7143 | Intermediate Similarity | NPD8590 | Approved |
0.7037 | Intermediate Similarity | NPD8594 | Approved |
0.7037 | Intermediate Similarity | NPD8593 | Approved |
0.7 | Intermediate Similarity | NPD47 | Approved |
0.7 | Intermediate Similarity | NPD7363 | Approved |
0.7 | Intermediate Similarity | NPD48 | Approved |
0.7 | Intermediate Similarity | NPD49 | Approved |
0.7 | Intermediate Similarity | NPD7362 | Approved |
0.7 | Intermediate Similarity | NPD50 | Approved |
0.7 | Intermediate Similarity | NPD7365 | Approved |
0.7 | Intermediate Similarity | NPD105 | Approved |
0.6897 | Remote Similarity | NPD8205 | Approved |
0.6897 | Remote Similarity | NPD8202 | Approved |
0.6786 | Remote Similarity | NPD8617 | Approved |
0.6786 | Remote Similarity | NPD8619 | Approved |
0.6667 | Remote Similarity | NPD8190 | Phase 2 |
0.6552 | Remote Similarity | NPD8204 | Approved |
0.6552 | Remote Similarity | NPD55 | Approved |
0.6552 | Remote Similarity | NPD8206 | Approved |
0.6552 | Remote Similarity | NPD8618 | Approved |
0.6552 | Remote Similarity | NPD8203 | Approved |
0.6552 | Remote Similarity | NPD54 | Approved |
0.6452 | Remote Similarity | NPD8857 | Approved |
0.6071 | Remote Similarity | NPD106 | Approved |
0.6071 | Remote Similarity | NPD8990 | Clinical (unspecified phase) |
0.6061 | Remote Similarity | NPD8210 | Phase 3 |
0.6061 | Remote Similarity | NPD8211 | Approved |
0.6 | Remote Similarity | NPD8191 | Clinical (unspecified phase) |
0.5926 | Remote Similarity | NPD8188 | Approved |
0.5926 | Remote Similarity | NPD8592 | Approved |
0.5926 | Remote Similarity | NPD8591 | Approved |
0.5862 | Remote Similarity | NPD8187 | Phase 3 |
0.5758 | Remote Similarity | NPD8596 | Approved |
0.5714 | Remote Similarity | NPD8989 | Approved |
0.5667 | Remote Similarity | NPD62 | Approved |
PubChem CID   | 1032 |
ChEMBL   | CHEMBL14021 |
ZINC   |
Molecular Weight:   | 74.04 |
ALogP:   | -0.1537 |
MLogP:   | 1.57 |
XLogP:   | 0.173 |
# Rotatable Bonds:   | 3 |
Polar Surface Area:   | 37.3 |
# H-Bond Aceptor:   | 2 |
# H-Bond Donor:   | 1 |
# Rings:   | 0 |
# Heavy Atoms:   | 5 |