Organism ID | Organism Name | Taxonomy Level | Family | SuperKingdom | Isolation Part | Collection Location | Collection Time | Reference |
---|---|---|---|---|---|---|---|---|
NPO14763 | Aloe ferox | Species | Asphodelaceae | Eukaryota | TM-MC* | |||
NPO2837 | Aloe spicata | Species | Asphodelaceae | Eukaryota | TM-MC* | |||
NPO20553 | Zingiber officinale | Species | Zingiberaceae | Eukaryota | TM-MC* | |||
NPO28276 | Artemisia argyi | Species | Asteraceae | Eukaryota | TCMID* | |||
NPO1515 | Lonicera japonica | Species | Caprifoliaceae | Eukaryota | TCMID* | |||
NPO2204 | Lindera megaphylla | Species | Lauraceae | Eukaryota | TCMID* | |||
NPO11411 | Gossypium herbaceum | Species | Malvaceae | Eukaryota | TCMID* | |||
NPO25645 | Flos lonicerae | Species | Lycaenidae | Eukaryota | TCMID* | |||
NPO1515 | Lonicera japonica | Species | Caprifoliaceae | Eukaryota | TCM_Taiwan* | |||
NPO1515 | Lonicera japonica | Species | Caprifoliaceae | Eukaryota | HerDing* | |||
NPO1797 | Homo sapiens | Species | Hominidae | Eukaryota | Faeces |
PMID[17314143] |
||
NPO21658 | Saccharomyces cerevisiae | Species | Saccharomycetaceae | Eukaryota |
PMID[24678285] |
|||
NPO2204 | Lindera megaphylla | Species | Lauraceae | Eukaryota | HerDing* | |||
NPO25645 | Flos lonicerae | Species | Lycaenidae | Eukaryota | HerDing* | |||
NPO2997 | Aloe africana | Species | Xanthorrhoeaceae | Eukaryota | TM-MC* | |||
NPO11578 | Aloe vera | Species | Xanthorrhoeaceae | Eukaryota | TM-MC* |
Target ID | Target Type | Target Name | Target Organism | Activity Type | Activity Relation | Value | Unit | Reference |
---|---|---|---|---|---|---|---|---|
NPT561 | Organism | Tetrahymena pyriformis | Tetrahymena pyriformis | GI50 | = | 111480780.3 | nM | 10.1007/s00044-009-9166-z |
NPT152 | Individual Protein | Nuclear factor erythroid 2-related factor 2 | Homo sapiens | Potency | 60350.9 | nM | PubChem BioAssay data set | |
NPT2 | Others | Unspecified | Potency | 677.1 | nM | PubChem BioAssay data set | ||
NPT2 | Others | Unspecified | Potency | 17228.9 | nM | PubChem BioAssay data set | ||
NPT2 | Others | Unspecified | Potency | 9688.5 | nM | PubChem BioAssay data set | ||
NPT2 | Others | Unspecified | Potency | 968.9 | nM | PubChem BioAssay data set | ||
NPT2 | Others | Unspecified | Potency | 21872.4 | nM | PubChem BioAssay data set | ||
NPT2 | Others | Unspecified | Potency | 24541.2 | nM | PubChem BioAssay data set | ||
NPT2 | Others | Unspecified | Potency | 27306 | nM | PubChem BioAssay data set | ||
NPT2 | Others | Unspecified | Potency | 17.2 | nM | PubChem BioAssay data set | ||
NPT2 | Others | Unspecified | Potency | 30247.1 | 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 NPC23071 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 | NPC256186 |
0.9091 | High Similarity | NPC88839 |
0.88 | High Similarity | NPC276332 |
0.88 | High Similarity | NPC39869 |
0.875 | High Similarity | NPC190797 |
0.8636 | High Similarity | NPC294703 |
0.8333 | Intermediate Similarity | NPC87529 |
0.8261 | Intermediate Similarity | NPC110344 |
0.7917 | Intermediate Similarity | NPC52403 |
0.7778 | Intermediate Similarity | NPC52362 |
0.7727 | Intermediate Similarity | NPC311000 |
0.76 | Intermediate Similarity | NPC245688 |
0.76 | Intermediate Similarity | NPC94144 |
0.75 | Intermediate Similarity | NPC299484 |
0.75 | Intermediate Similarity | NPC219266 |
0.7308 | Intermediate Similarity | NPC88887 |
0.7308 | Intermediate Similarity | NPC275462 |
0.7308 | Intermediate Similarity | NPC232554 |
0.72 | Intermediate Similarity | NPC39977 |
0.7097 | Intermediate Similarity | NPC283682 |
0.7083 | Intermediate Similarity | NPC106054 |
0.7037 | Intermediate Similarity | NPC560 |
0.6923 | Remote Similarity | NPC199270 |
0.6875 | Remote Similarity | NPC316685 |
0.6667 | Remote Similarity | NPC28077 |
0.6667 | Remote Similarity | NPC236761 |
0.6667 | Remote Similarity | NPC163707 |
0.6667 | Remote Similarity | NPC140389 |
0.6667 | Remote Similarity | NPC61665 |
0.6667 | Remote Similarity | NPC213764 |
0.6552 | Remote Similarity | NPC159845 |
0.6552 | Remote Similarity | NPC279895 |
0.6471 | Remote Similarity | NPC177022 |
0.6429 | Remote Similarity | NPC128335 |
0.6429 | Remote Similarity | NPC252154 |
0.6429 | Remote Similarity | NPC190117 |
0.6364 | Remote Similarity | NPC2724 |
0.6333 | Remote Similarity | NPC110884 |
0.6333 | Remote Similarity | NPC151140 |
0.6333 | Remote Similarity | NPC122768 |
0.6333 | Remote Similarity | NPC104195 |
0.6333 | Remote Similarity | NPC61066 |
0.6296 | Remote Similarity | NPC114270 |
0.625 | Remote Similarity | NPC152773 |
0.6207 | Remote Similarity | NPC324353 |
0.6207 | Remote Similarity | NPC320326 |
0.6129 | Remote Similarity | NPC147096 |
0.6129 | Remote Similarity | NPC236797 |
0.6129 | Remote Similarity | NPC185041 |
0.6129 | Remote Similarity | NPC24506 |
0.6129 | Remote Similarity | NPC163556 |
0.6129 | Remote Similarity | NPC112242 |
0.6129 | Remote Similarity | NPC225783 |
0.6111 | Remote Similarity | NPC221022 |
0.6111 | Remote Similarity | NPC222792 |
0.6111 | Remote Similarity | NPC316217 |
0.6071 | Remote Similarity | NPC304927 |
0.6071 | Remote Similarity | NPC304786 |
0.6071 | Remote Similarity | NPC289974 |
0.6 | Remote Similarity | NPC281943 |
0.6 | Remote Similarity | NPC238135 |
0.6 | Remote Similarity | NPC317739 |
0.6 | Remote Similarity | NPC325345 |
0.6 | Remote Similarity | NPC261397 |
0.6 | Remote Similarity | NPC301586 |
0.6 | Remote Similarity | NPC33415 |
0.5938 | Remote Similarity | NPC122962 |
0.5938 | Remote Similarity | NPC280532 |
0.5938 | Remote Similarity | NPC126915 |
0.5926 | Remote Similarity | NPC133819 |
0.5862 | Remote Similarity | NPC230726 |
0.5806 | Remote Similarity | NPC270334 |
0.5769 | Remote Similarity | NPC61373 |
0.5758 | Remote Similarity | NPC205141 |
0.5758 | Remote Similarity | NPC139131 |
0.5758 | Remote Similarity | NPC185538 |
0.5758 | Remote Similarity | NPC272998 |
0.5758 | Remote Similarity | NPC181516 |
0.5758 | Remote Similarity | NPC1748 |
0.5758 | Remote Similarity | NPC319034 |
0.5758 | Remote Similarity | NPC193062 |
0.5758 | Remote Similarity | NPC66124 |
0.5758 | Remote Similarity | NPC291158 |
0.5758 | Remote Similarity | NPC72324 |
0.5714 | Remote Similarity | NPC318912 |
0.5714 | Remote Similarity | NPC157340 |
0.5714 | Remote Similarity | NPC237965 |
0.5714 | Remote Similarity | NPC84750 |
0.5667 | Remote Similarity | NPC272307 |
0.5625 | Remote Similarity | NPC242117 |
0.5625 | Remote Similarity | NPC198126 |
0.5625 | Remote Similarity | NPC21374 |
0.56 | Remote Similarity | NPC34153 |
0.56 | Remote Similarity | NPC328688 |
Similarity level is defined by Tanimoto coefficient (Tc) between two molecules.
●  The left chart: Distribution of similarity level between NPC23071 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 |
---|---|---|---|
0.7727 | Intermediate Similarity | NPD8223 | Approved |
0.6667 | Remote Similarity | NPD8224 | Approved |
0.6429 | Remote Similarity | NPD57 | Approved |
0.6296 | Remote Similarity | NPD8225 | Phase 3 |
0.6129 | Remote Similarity | NPD8794 | Clinical (unspecified phase) |
0.6071 | Remote Similarity | NPD8956 | Approved |
0.6 | Remote Similarity | NPD8988 | Clinical (unspecified phase) |
0.6 | Remote Similarity | NPD8549 | Clinical (unspecified phase) |
0.5758 | Remote Similarity | NPD2272 | Approved |
0.5758 | Remote Similarity | NPD5383 | Approved |
0.5714 | Remote Similarity | NPD8226 | Approved |
0.5625 | Remote Similarity | NPD8618 | Approved |
PubChem CID   | 8723 |
ChEMBL   | CHEMBL451923 |
ZINC   |
Molecular Weight:   | 88.09 |
ALogP:   | -0.552 |
MLogP:   | 1.9 |
XLogP:   | 1.148 |
# Rotatable Bonds:   | 5 |
Polar Surface Area:   | 20.23 |
# H-Bond Aceptor:   | 1 |
# H-Bond Donor:   | 1 |
# Rings:   | 0 |
# Heavy Atoms:   | 6 |