Target ID | Target Type | Target Name | Target Organism | Activity Type | Activity Relation | Value | Unit | Reference |
---|---|---|---|---|---|---|---|---|
NPT1513 | Organism | Mycobacterium avium | Mycobacterium avium | MIC | > | 1024 | ug/ml | 7562923 |
NPT1828 | Organism | Mycobacterium kansasii | Mycobacterium kansasii | MIC | = | 256 | ug/ml | 7562923 |
NPT88 | Organism | Mycobacterium tuberculosis | Mycobacterium tuberculosis | MIC | = | 32 | ug/ml | 7562923 |
NPT2 | Others | Unspecified | MIC | = | 64 | ug/ml | 12459027 | |
NPT2 | Others | Unspecified | MIC | > | 128 | ug/ml | 12459027 | |
NPT88 | Organism | Mycobacterium tuberculosis | Mycobacterium tuberculosis | MIC | = | 200 | ug/ml | 1560435 |
NPT88 | Organism | Mycobacterium tuberculosis | Mycobacterium tuberculosis | MIC | = | 50 | ug/ml | 1560435 |
NPT88 | Organism | Mycobacterium tuberculosis | Mycobacterium tuberculosis | MIC | > | 200 | ug/ml | 1560435 |
NPT88 | Organism | Mycobacterium tuberculosis | Mycobacterium tuberculosis | MIC | = | 100 | ug/ml | 1560435 |
NPT1827 | Organism | Mycobacterium bovis | Mycobacterium bovis | MIC | > | 200 | ug/ml | 1560435 |
NPT1827 | Organism | Mycobacterium bovis | Mycobacterium bovis | MIC | = | 100 | ug/ml | 1560435 |
NPT1828 | Organism | Mycobacterium kansasii | Mycobacterium kansasii | MIC | > | 200 | ug/ml | 1560435 |
NPT88 | Organism | Mycobacterium tuberculosis | Mycobacterium tuberculosis | MIC | = | 300 | ug/ml | 17101678 |
NPT2 | Others | Unspecified | Inhibition | = | 60 | % | 17101678 | |
NPT2 | Others | Unspecified | Inhibition | = | 97 | % | 17101678 | |
NPT2 | Others | Unspecified | Inhibition | = | 30 | % | 17101678 | |
NPT88 | Organism | Mycobacterium tuberculosis | Mycobacterium tuberculosis | MIC | = | 100 | ug/ml | 17101678 |
NPT525 | Individual Protein | Hydroxycarboxylic acid receptor 2 | Homo sapiens | EC50 | = | 6300 | nM | 17588745 |
NPT2 | Others | Unspecified | Inhibition | = | 6 | % | 17485499 | |
NPT2 | Others | Unspecified | Inhibition | = | 37 | % | 17485499 | |
NPT790 | Organism | Mycobacterium tuberculosis H37Rv | Mycobacterium tuberculosis H37Rv | IC90 | = | 6 | ug/ml | 20488590 |
NPT48 | Individual Protein | Lysine-specific demethylase 4D-like | Homo sapiens | Potency | = | 31622.8 | nM | PubChem BioAssay data set |
NPT53 | Individual Protein | 4'-phosphopantetheinyl transferase ffp | Bacillus subtilis | Potency | = | 15848.9 | nM | PubChem BioAssay data set |
NPT55 | Individual Protein | Putative fructose-1,6-bisphosphate aldolase | Giardia intestinalis | Potency | = | 17740.7 | nM | PubChem BioAssay data set |
NPT532 | Individual Protein | Lysine-specific demethylase 4A | Homo sapiens | Potency | 25118.9 | nM | PubChem BioAssay data set | |
NPT5 | Individual Protein | Histone-lysine N-methyltransferase, H3 lysine-9 specific 3 | Homo sapiens | Potency | 8912.5 | nM | PubChem BioAssay data set | |
NPT63 | Individual Protein | Bromodomain adjacent to zinc finger domain protein 2B | Homo sapiens | Potency | 44668.4 | nM | PubChem BioAssay data set | |
NPT135 | Individual Protein | Chromobox protein homolog 1 | Homo sapiens | Potency | 31622.8 | nM | PubChem BioAssay data set | |
NPT7 | Individual Protein | Thioredoxin reductase 1, cytoplasmic | Rattus norvegicus | Potency | 89125.1 | nM | PubChem BioAssay data set | |
NPT154 | Individual Protein | Mothers against decapentaplegic homolog 3 | Homo sapiens | Potency | 562.3 | nM | PubChem BioAssay data set | |
NPT10 | Individual Protein | Geminin | Homo sapiens | Potency | 6513.1 | nM | PubChem BioAssay data set | |
NPT444 | Individual Protein | Ubiquitin carboxyl-terminal hydrolase 1 | Homo sapiens | Potency | 35481.3 | nM | PubChem BioAssay data set | |
NPT446 | Individual Protein | Rap guanine nucleotide exchange factor 3 | Homo sapiens | Potency | 100000 | 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 NPC317307 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 |
---|---|---|
0.8922 | High Similarity | NPC180417 |
0.8034 | Intermediate Similarity | NPC144223 |
0.6804 | Remote Similarity | NPC100312 |
0.6633 | Remote Similarity | NPC204104 |
0.6566 | Remote Similarity | NPC270637 |
0.6529 | Remote Similarity | NPC63433 |
0.6423 | Remote Similarity | NPC240084 |
0.6111 | Remote Similarity | NPC76536 |
0.6 | Remote Similarity | NPC262236 |
0.5954 | Remote Similarity | NPC180493 |
0.5856 | Remote Similarity | NPC277608 |
0.5782 | Remote Similarity | NPC302159 |
0.5669 | Remote Similarity | NPC215597 |
0.5669 | Remote Similarity | NPC149621 |
0.5639 | Remote Similarity | NPC109322 |
Similarity level is defined by Tanimoto coefficient (Tc) between two molecules.
●  The left chart: Distribution of similarity level between NPC317307 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 |
---|---|---|---|
0.9126 | High Similarity | NPD9082 | Approved |
0.798 | Intermediate Similarity | NPD8835 | Approved |
0.767 | Intermediate Similarity | NPD9101 | Discontinued |
0.75 | Intermediate Similarity | NPD8824 | Phase 3 |
0.5954 | Remote Similarity | NPD9544 | Approved |
0.5954 | Remote Similarity | NPD78 | Approved |
0.5621 | Remote Similarity | NPD8030 | Approved |
Molecular Weight:   | 124.03 |
ALogP:   | -0.2398 |
MLogP:   | 1.57 |
XLogP:   | -0.371 |
# Rotatable Bonds:   | 2 |
Polar Surface Area:   | 63.08 |
# H-Bond Aceptor:   | 4 |
# H-Bond Donor:   | 1 |
# Rings:   | 1 |
# Heavy Atoms:   | 9 |