Organism ID | Organism Name | Taxonomy Level | Family | SuperKingdom | Isolation Part | Collection Location | Collection Time | Reference |
---|---|---|---|---|---|---|---|---|
NPO1797 | Homo sapiens | Species | Hominidae | Eukaryota | Faeces |
PMID[17314143] |
||
NPO1797 | Homo sapiens | Species | Hominidae | Eukaryota | saliva |
PMID[24421258] |
||
NPO29545 | Capsici fructus | NA | NA | NA | TCMSP* | |||
NPO1493 | Hericium erinaceus | Species | Hericiaceae | Eukaryota | TCMID* |
Target ID | Target Type | Target Name | Target Organism | Activity Type | Activity Relation | Value | Unit | Reference |
---|---|---|---|---|---|---|---|---|
NPT203 | Individual Protein | Carboxylesterase 2 | Homo sapiens | Ki | > | 100000 | nM | 15828829 |
NPT166 | Individual Protein | Acyl coenzyme A:cholesterol acyltransferase | Homo sapiens | Ki | > | 100000 | nM | 15828829 |
NPT2610 | Individual Protein | Acyl coenzyme A:cholesterol acyltransferase | Oryctolagus cuniculus | Ki | > | 100000 | nM | 15828829 |
NPT204 | Individual Protein | Acetylcholinesterase | Homo sapiens | Ki | > | 100000 | nM | 15828829 |
NPT439 | Individual Protein | Butyrylcholinesterase | Homo sapiens | Ki | > | 100000 | nM | 15828829 |
NPT563 | Organism | Escherichia coli O157:H7 | Escherichia coli O157:H7 | GI | = | 9.6 | % | 14969531 |
NPT16 | Organism | Staphylococcus aureus | Staphylococcus aureus | GI | = | 47.4 | % | 14969531 |
NPT564 | Organism | Listeria monocytogenes | Listeria monocytogenes | GI | = | 26.2 | % | 14969531 |
NPT565 | Organism | Vibrio parahaemolyticus | Vibrio parahaemolyticus | GI | = | 39.3 | % | 14969531 |
NPT566 | Organism | Salmonella typhimurium | Salmonella enterica subsp. enterica serovar Typhimurium | GI | = | 25.5 | % | 14969531 |
NPT314 | Organism | Bacillus cereus | Bacillus cereus | GI | = | 26.9 | % | 14969531 |
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 NPC222945 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 |
---|---|---|
0.9524 | High Similarity | NPC33928 |
0.9524 | High Similarity | NPC185768 |
0.95 | High Similarity | NPC141986 |
0.9091 | High Similarity | NPC30338 |
0.9048 | High Similarity | NPC32603 |
0.9 | High Similarity | NPC147212 |
0.85 | High Similarity | NPC211453 |
0.85 | High Similarity | NPC171188 |
0.8333 | Intermediate Similarity | NPC79591 |
0.7917 | Intermediate Similarity | NPC227197 |
0.7917 | Intermediate Similarity | NPC66624 |
0.7917 | Intermediate Similarity | NPC307594 |
0.7826 | Intermediate Similarity | NPC254524 |
0.75 | Intermediate Similarity | NPC91093 |
0.7391 | Intermediate Similarity | NPC83723 |
0.7308 | Intermediate Similarity | NPC100997 |
0.72 | Intermediate Similarity | NPC129976 |
0.7143 | Intermediate Similarity | NPC168982 |
0.7037 | Intermediate Similarity | NPC295442 |
0.7 | Intermediate Similarity | NPC200333 |
0.6897 | Remote Similarity | NPC228727 |
0.68 | Remote Similarity | NPC164646 |
0.6786 | Remote Similarity | NPC222997 |
0.6786 | Remote Similarity | NPC196434 |
0.6786 | Remote Similarity | NPC248139 |
0.6786 | Remote Similarity | NPC4962 |
0.6786 | Remote Similarity | NPC42403 |
0.6786 | Remote Similarity | NPC79887 |
0.6786 | Remote Similarity | NPC221192 |
0.6786 | Remote Similarity | NPC29561 |
0.6786 | Remote Similarity | NPC153439 |
0.6667 | Remote Similarity | NPC37479 |
0.6667 | Remote Similarity | NPC94196 |
0.6552 | Remote Similarity | NPC302611 |
0.6552 | Remote Similarity | NPC321646 |
0.6538 | Remote Similarity | NPC28246 |
0.6452 | Remote Similarity | NPC127142 |
0.6452 | Remote Similarity | NPC248190 |
0.6452 | Remote Similarity | NPC7814 |
0.6429 | Remote Similarity | NPC198118 |
0.6429 | Remote Similarity | NPC38859 |
0.64 | Remote Similarity | NPC203105 |
0.64 | Remote Similarity | NPC8187 |
0.6333 | Remote Similarity | NPC225318 |
0.6333 | Remote Similarity | NPC268596 |
0.6333 | Remote Similarity | NPC149101 |
0.6333 | Remote Similarity | NPC76608 |
0.6333 | Remote Similarity | NPC16578 |
0.6296 | Remote Similarity | NPC59581 |
0.6296 | Remote Similarity | NPC149209 |
0.625 | Remote Similarity | NPC121215 |
0.6207 | Remote Similarity | NPC292641 |
0.6207 | Remote Similarity | NPC270334 |
0.6207 | Remote Similarity | NPC158107 |
0.6207 | Remote Similarity | NPC174368 |
0.6071 | Remote Similarity | NPC143211 |
0.6061 | Remote Similarity | NPC301919 |
0.6 | Remote Similarity | NPC320981 |
0.6 | Remote Similarity | NPC5934 |
0.5938 | Remote Similarity | NPC307027 |
0.5926 | Remote Similarity | NPC304927 |
0.5926 | Remote Similarity | NPC289974 |
0.5926 | Remote Similarity | NPC41485 |
0.5926 | Remote Similarity | NPC32280 |
0.5882 | Remote Similarity | NPC109026 |
0.5862 | Remote Similarity | NPC287782 |
0.5862 | Remote Similarity | NPC32279 |
0.5806 | Remote Similarity | NPC12904 |
0.5806 | Remote Similarity | NPC280532 |
0.5769 | Remote Similarity | NPC133819 |
0.5714 | Remote Similarity | NPC127134 |
0.5714 | Remote Similarity | NPC211250 |
0.5714 | Remote Similarity | NPC230726 |
0.5714 | Remote Similarity | NPC314668 |
0.5714 | Remote Similarity | NPC286233 |
0.5714 | Remote Similarity | NPC166804 |
0.5714 | Remote Similarity | NPC38930 |
0.5667 | Remote Similarity | NPC122768 |
0.5667 | Remote Similarity | NPC104195 |
0.5667 | Remote Similarity | NPC180423 |
0.5667 | Remote Similarity | NPC61066 |
0.5667 | Remote Similarity | NPC151140 |
0.5667 | Remote Similarity | NPC155900 |
0.5625 | Remote Similarity | NPC175342 |
0.5625 | Remote Similarity | NPC286695 |
0.56 | Remote Similarity | NPC260610 |
Similarity level is defined by Tanimoto coefficient (Tc) between two molecules.
●  The left chart: Distribution of similarity level between NPC222945 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 |
---|---|---|---|
0.6786 | Remote Similarity | NPD62 | Approved |
0.6667 | Remote Similarity | NPD8616 | Clinical (unspecified phase) |
0.6667 | Remote Similarity | NPD8615 | Phase 2 |
0.6667 | Remote Similarity | NPD106 | Approved |
0.6452 | Remote Similarity | NPD8857 | Approved |
0.6087 | Remote Similarity | NPD8200 | Phase 2 |
0.6071 | Remote Similarity | NPD8990 | Clinical (unspecified phase) |
0.6 | Remote Similarity | NPD8856 | Phase 2 |
0.6 | Remote Similarity | NPD8590 | Approved |
0.6 | Remote Similarity | NPD8190 | Phase 2 |
0.5714 | Remote Similarity | NPD8989 | Approved |
0.5714 | Remote Similarity | NPD8189 | Approved |
PubChem CID   | 11747 |
ChEMBL   | CHEMBL192809 |
ZINC   |
Molecular Weight:   | 100.05 |
ALogP:   | -0.4316 |
MLogP:   | 1.79 |
XLogP:   | 0.089 |
# Rotatable Bonds:   | 4 |
Polar Surface Area:   | 34.14 |
# H-Bond Aceptor:   | 2 |
# H-Bond Donor:   | 0 |
# Rings:   | 0 |
# Heavy Atoms:   | 7 |