Organism ID | Organism Name | Taxonomy Level | Family | SuperKingdom | Isolation Part | Collection Location | Collection Time | Reference |
---|---|---|---|---|---|---|---|---|
NPO21658 | Saccharomyces cerevisiae | Species | Saccharomycetaceae | Eukaryota |
PMID[24305546] |
|||
NPO21658 | Saccharomyces cerevisiae | Species | Saccharomycetaceae | Eukaryota |
PMID[24678285] |
|||
NPO8698 | Zanthoxylum schinifolium | Species | Rutaceae | Eukaryota | TCM_Taiwan* | |||
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* | |||
NPO2921 | Angelica acutiloba | Species | Apiaceae | Eukaryota | TM-MC* | |||
NPO11438 | Angelica gigas | Species | Apiaceae | Eukaryota | TM-MC* | |||
NPO15462 | Angelica sinensis | Species | Apiaceae | Eukaryota | TM-MC* | |||
NPO5315 | Zanthoxylum bungeanum | Species | Rutaceae | Eukaryota | TM-MC* | |||
NPO9290 | Zanthoxylum piperitum | Species | Rutaceae | Eukaryota | TM-MC* | |||
NPO8698 | Zanthoxylum schinifolium | Species | Rutaceae | Eukaryota | TM-MC* | |||
NPO11411 | Gossypium herbaceum | Species | Malvaceae | Eukaryota | TCMID* | |||
NPO23332.1 | Dendrobium fimbriatum var. oculatum | Varieties | Orchidaceae | Eukaryota | TCMID* | |||
NPO23768 | Camellia saluenensis | Species | Theaceae | Eukaryota | TCMID* | |||
NPO5446 | Campsis flos | Species | Bignoniaceae | Eukaryota | TCMSP* | |||
NPO20553 | Zingiber officinale | Species | Zingiberaceae | Eukaryota | TCMSP* | |||
NPO12588 | Cornus officinalis | Species | Cornaceae | Eukaryota | TCMSP* | |||
NPO24731 | Sesami nigrum semen | NA | NA | NA | TCMSP* | |||
NPO1797 | Homo sapiens | Species | Hominidae | Eukaryota | saliva |
PMID[24421258] |
||
NPO1797 | Homo sapiens | Species | Hominidae | Eukaryota | Faeces |
PMID[17314143] |
Target ID | Target Type | Target Name | Target Organism | Activity Type | Activity Relation | Value | Unit | Reference |
---|---|---|---|---|---|---|---|---|
NPT210 | Individual Protein | Thyroid stimulating hormone receptor | Homo sapiens | Potency | = | 10000 | nM | PubChem BioAssay data set |
NPT106 | Individual Protein | Peroxisome proliferator-activated receptor delta | Homo sapiens | Potency | 50118.7 | nM | PubChem BioAssay data set | |
NPT561 | Organism | Tetrahymena pyriformis | Tetrahymena pyriformis | GI50 | = | 42422865.49 | nM | 10.1007/s00044-009-9166-z |
NPT562 | Organism | Colletotrichum gloeosporioides | Colletotrichum gloeosporioides | EC50 | = | 8205 | ug/ml | 12926880 |
NPT562 | Organism | Colletotrichum gloeosporioides | Colletotrichum gloeosporioides | EC50 | = | 109647819.6 | nM | 12926880 |
NPT2 | Others | Unspecified | Potency | 27806.6 | nM | PubChem BioAssay data set | ||
NPT2 | Others | Unspecified | Potency | 70488.9 | nM | PubChem BioAssay data set | ||
NPT153 | Individual Protein | Androgen Receptor | Homo sapiens | Potency | 69847.1 | nM | PubChem BioAssay data set | |
NPT2 | Others | Unspecified | Potency | 69847.1 | 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 NPC88839 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 |
---|---|---|
0.9091 | High Similarity | NPC87529 |
0.9091 | High Similarity | NPC256186 |
0.9091 | High Similarity | NPC23071 |
0.9048 | High Similarity | NPC110344 |
0.8696 | High Similarity | NPC190797 |
0.8571 | High Similarity | NPC294703 |
0.85 | High Similarity | NPC311000 |
0.8261 | Intermediate Similarity | NPC94144 |
0.8182 | Intermediate Similarity | NPC299484 |
0.8 | Intermediate Similarity | NPC276332 |
0.8 | Intermediate Similarity | NPC39869 |
0.7826 | Intermediate Similarity | NPC52403 |
0.7826 | Intermediate Similarity | NPC39977 |
0.7692 | Intermediate Similarity | NPC52362 |
0.75 | Intermediate Similarity | NPC245688 |
0.7391 | Intermediate Similarity | NPC219266 |
0.7273 | Intermediate Similarity | NPC236761 |
0.7273 | Intermediate Similarity | NPC163707 |
0.72 | Intermediate Similarity | NPC275462 |
0.72 | Intermediate Similarity | NPC232554 |
0.72 | Intermediate Similarity | NPC140389 |
0.72 | Intermediate Similarity | NPC88887 |
0.7 | Intermediate Similarity | NPC2724 |
0.6957 | Remote Similarity | NPC106054 |
0.6923 | Remote Similarity | NPC560 |
0.6818 | Remote Similarity | NPC152773 |
0.68 | Remote Similarity | NPC114270 |
0.68 | Remote Similarity | NPC199270 |
0.6552 | Remote Similarity | NPC28077 |
0.6538 | Remote Similarity | NPC304786 |
0.6538 | Remote Similarity | NPC213764 |
0.6452 | Remote Similarity | NPC283682 |
0.6429 | Remote Similarity | NPC279895 |
0.6429 | Remote Similarity | NPC261397 |
0.6429 | Remote Similarity | NPC159845 |
0.64 | Remote Similarity | NPC133819 |
0.6296 | Remote Similarity | NPC128335 |
0.6296 | Remote Similarity | NPC230726 |
0.6296 | Remote Similarity | NPC252154 |
0.625 | Remote Similarity | NPC316685 |
0.6207 | Remote Similarity | NPC270334 |
0.6207 | Remote Similarity | NPC110884 |
0.6154 | Remote Similarity | NPC237965 |
0.6154 | Remote Similarity | NPC157340 |
0.6154 | Remote Similarity | NPC318912 |
0.6154 | Remote Similarity | NPC84750 |
0.6087 | Remote Similarity | NPC328688 |
0.6087 | Remote Similarity | NPC34153 |
0.6071 | Remote Similarity | NPC324353 |
0.6071 | Remote Similarity | NPC320326 |
0.6071 | Remote Similarity | NPC272307 |
0.6061 | Remote Similarity | NPC61665 |
0.6 | Remote Similarity | NPC236797 |
0.6 | Remote Similarity | NPC242117 |
0.6 | Remote Similarity | NPC147096 |
0.6 | Remote Similarity | NPC163556 |
0.6 | Remote Similarity | NPC112242 |
0.6 | Remote Similarity | NPC24506 |
0.6 | Remote Similarity | NPC225783 |
0.6 | Remote Similarity | NPC185041 |
0.5926 | Remote Similarity | NPC289974 |
0.5926 | Remote Similarity | NPC304927 |
0.5882 | Remote Similarity | NPC177022 |
0.5862 | Remote Similarity | NPC238135 |
0.5862 | Remote Similarity | NPC254685 |
0.5862 | Remote Similarity | NPC33415 |
0.5862 | Remote Similarity | NPC325345 |
0.5862 | Remote Similarity | NPC301586 |
0.5862 | Remote Similarity | NPC223195 |
0.5806 | Remote Similarity | NPC313303 |
0.5806 | Remote Similarity | NPC126915 |
0.5806 | Remote Similarity | NPC122962 |
0.5714 | Remote Similarity | NPC317724 |
0.5714 | Remote Similarity | NPC190117 |
0.5714 | Remote Similarity | NPC201132 |
0.5714 | Remote Similarity | NPC314668 |
0.5667 | Remote Similarity | NPC122768 |
0.5667 | Remote Similarity | NPC104195 |
0.5667 | Remote Similarity | NPC327718 |
0.5667 | Remote Similarity | NPC61066 |
0.5667 | Remote Similarity | NPC151140 |
0.5652 | Remote Similarity | NPC149567 |
0.5625 | Remote Similarity | NPC63121 |
0.5625 | Remote Similarity | NPC272998 |
0.5625 | Remote Similarity | NPC197356 |
0.5625 | Remote Similarity | NPC139131 |
0.5625 | Remote Similarity | NPC319034 |
0.5625 | Remote Similarity | NPC205141 |
0.5625 | Remote Similarity | NPC185538 |
0.5625 | Remote Similarity | NPC291158 |
0.5625 | Remote Similarity | NPC193062 |
0.5625 | Remote Similarity | NPC66124 |
0.5625 | Remote Similarity | NPC1748 |
0.5625 | Remote Similarity | NPC181516 |
0.5625 | Remote Similarity | NPC72324 |
0.56 | Remote Similarity | NPC61373 |
Similarity level is defined by Tanimoto coefficient (Tc) between two molecules.
●  The left chart: Distribution of similarity level between NPC88839 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 |
---|---|---|---|
0.85 | High Similarity | NPD8223 | Approved |
0.7273 | Intermediate Similarity | NPD8224 | Approved |
0.68 | Remote Similarity | NPD8225 | Phase 3 |
0.6154 | Remote Similarity | NPD8226 | Approved |
0.5926 | Remote Similarity | NPD8956 | Approved |
0.5926 | Remote Similarity | NPD8231 | Approved |
0.5909 | Remote Similarity | NPD8547 | Phase 2 |
0.5862 | Remote Similarity | NPD8549 | Clinical (unspecified phase) |
0.5862 | Remote Similarity | NPD8988 | Clinical (unspecified phase) |
0.5862 | Remote Similarity | NPD8622 | Discontinued |
0.5806 | Remote Similarity | NPD8558 | Approved |
0.5806 | Remote Similarity | NPD8557 | Approved |
0.5714 | Remote Similarity | NPD57 | Approved |
0.5652 | Remote Similarity | NPD7374 | Approved |
0.5625 | Remote Similarity | NPD2272 | Approved |
0.5625 | Remote Similarity | NPD5383 | Approved |
PubChem CID   | 6560 |
ChEMBL   | CHEMBL269630 |
ZINC   |
Molecular Weight:   | 74.07 |
ALogP:   | 0.1242 |
MLogP:   | 1.79 |
XLogP:   | 0.579 |
# Rotatable Bonds:   | 4 |
Polar Surface Area:   | 20.23 |
# H-Bond Aceptor:   | 1 |
# H-Bond Donor:   | 1 |
# Rings:   | 0 |
# Heavy Atoms:   | 5 |