Organism ID | Organism Name | Taxonomy Level | Family | SuperKingdom | Isolation Part | Collection Location | Collection Time | Reference |
---|---|---|---|---|---|---|---|---|
NPO1797 | Homo sapiens | Species | Hominidae | Eukaryota | cerebrospinal fluid |
PMID[15996001] |
||
NPO1797 | Homo sapiens | Species | Hominidae | Eukaryota | Faeces |
PMID[17314143] |
||
NPO730 | Escherichia coli | Species | Enterobacteriaceae | Bacteria |
PMID[21988831] |
|||
NPO26969 | Sagittaria sagittifolia | Species | Alismataceae | Eukaryota | TCMID* |
Target ID | Target Type | Target Name | Target Organism | Activity Type | Activity Relation | Value | Unit | Reference |
---|---|---|---|---|---|---|---|---|
NPT1722 | Individual Protein | Choline acetylase | Rattus norvegicus | Ki | = | 25000000 | nM | 4032433 |
NPT1075 | Individual Protein | Kappa opioid receptor | Cavia porcellus | Inhibition | = | 4 | % | 9857089 |
NPT2 | Others | Unspecified | Inhibition | = | 67.7 | % | 12036364 | |
NPT2 | Others | Unspecified | Inhibition | = | 13.6 | % | 12036364 | |
NPT2 | Others | Unspecified | Inhibition | = | 19 | % | 12036364 | |
NPT19 | Organism | Escherichia coli | Escherichia coli | Inhibition | = | 2.8 | % | 9873700 |
NPT2814 | Individual Protein | Insulin-like growth factor binding protein 5 | Homo sapiens | Kd | = | 648000000 | nM | 12477349 |
NPT2814 | Individual Protein | Insulin-like growth factor binding protein 5 | Homo sapiens | Kd | = | 541000000 | nM | 12477349 |
NPT2814 | Individual Protein | Insulin-like growth factor binding protein 5 | Homo sapiens | Kd | = | 610000000 | nM | 12477349 |
NPT2814 | Individual Protein | Insulin-like growth factor binding protein 5 | Homo sapiens | Kd | = | 650000000 | nM | 12477349 |
NPT2814 | Individual Protein | Insulin-like growth factor binding protein 5 | Homo sapiens | Kd | = | 783000000 | nM | 12477349 |
NPT2814 | Individual Protein | Insulin-like growth factor binding protein 5 | Homo sapiens | Kd | = | 921000000 | nM | 12477349 |
NPT2814 | Individual Protein | Insulin-like growth factor binding protein 5 | Homo sapiens | Kd | = | 719000000 | nM | 12477349 |
NPT16 | Organism | Staphylococcus aureus | Staphylococcus aureus | Inhibition | = | 0 | mm | 15686887 |
NPT18 | Organism | Pseudomonas aeruginosa | Pseudomonas aeruginosa | Inhibition | = | 0 | mm | 15686887 |
NPT19 | Organism | Escherichia coli | Escherichia coli | Inhibition | = | 0 | mm | 15686887 |
NPT580 | Organism | Trypanosoma cruzi | Trypanosoma cruzi | Inhibition | = | 0 | % | 15713399 |
NPT397 | Cell Line | NCI-H460 | Homo sapiens | Activity | = | 55.1 | % | 21138784 |
NPT397 | Cell Line | NCI-H460 | Homo sapiens | Activity | = | 28.8 | % | 21138784 |
NPT397 | Cell Line | NCI-H460 | Homo sapiens | Activity | = | 16.1 | % | 21138784 |
NPT397 | Cell Line | NCI-H460 | Homo sapiens | Activity | = | 12.2 | % | 21138784 |
NPT546 | Individual Protein | Retinoid X receptor alpha | Homo sapiens | Potency | 19952623.1 | nM | PubChem BioAssay data set | |
NPT2816 | Individual Protein | Bromodomain-containing protein 4 | Homo sapiens | IC50 | = | 280000000 | nM | 10.1039/C3MD00291H |
NPT2 | Others | Unspecified | Potency | 6859 | nM | PubChem BioAssay data set | ||
NPT2 | Others | Unspecified | Potency | 13.8 | nM | PubChem BioAssay data set | ||
NPT2 | Others | Unspecified | Potency | 68589.6 | nM | PubChem BioAssay data set | ||
NPT2 | Others | Unspecified | Potency | 54941 | nM | PubChem BioAssay data set | ||
NPT2 | Others | Unspecified | Activity | = | 0.00021 | nM | 281531 | |
NPT2 | Others | Unspecified | Activity | = | 60 | % | 281531 | |
NPT2 | Others | Unspecified | Activity | = | 80 | % | 281531 | |
NPT2 | Others | Unspecified | Activity | = | 31.2 | ug | 281531 | |
NPT16 | Organism | Staphylococcus aureus | Staphylococcus aureus | MIC | = | 250 | uL/ml | 27259400 |
NPT19 | Organism | Escherichia coli | Escherichia coli | MIC | = | 125 | uL/ml | 27259400 |
NPT2 | Others | Unspecified | IC50 | = | 223000 | nM | 27108400 | |
NPT2 | Others | Unspecified | IC50 | = | 108000 | nM | 27108400 | |
NPT2 | Others | Unspecified | IC50 | = | 119000 | nM | 27108400 | |
NPT71 | Cell Line | HEK293 | Homo sapiens | IC50 | = | 232000 | nM | 27108400 |
NPT2 | Others | Unspecified | IC50 | = | 229000 | nM | 27108400 | |
NPT2 | Others | Unspecified | Ratio IC50 | = | 2.15 | 27108400 | ||
NPT2 | Others | Unspecified | Ratio IC50 | = | 1.03 | 27108400 |
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 NPC42017 and all remaining natural products in the NPASS database.
●  The right table: Most similar natural products (Tc>=0.56 or Top200).
Similarity level is defined by Tanimoto coefficient (Tc) between two molecules.
●  The left chart: Distribution of similarity level between NPC42017 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 | NPD7378 | Approved |
Molecular Weight:   | 78.01 |
ALogP:   | -0.3166 |
MLogP:   | 1.46 |
XLogP:   | -0.718 |
# Rotatable Bonds:   | 2 |
Polar Surface Area:   | 36.28 |
# H-Bond Aceptor:   | 1 |
# H-Bond Donor:   | 0 |
# Rings:   | 0 |
# Heavy Atoms:   | 4 |