Target ID | Target Type | Target Name | Target Organism | Activity Type | Activity Relation | Value | Unit | Reference |
---|---|---|---|---|---|---|---|---|
NPT32 | Organism | Mus musculus | Mus musculus | LD50 | = | 1889 | mg/kg | 7452683 |
NPT1016 | Organism | Canis familiaris | Canis lupus familiaris | Activity | = | 54.2 | % | 6737413 |
NPT2 | Others | Unspecified | Inhibition | = | 8 | % | 6772787 | |
NPT613 | Individual Protein | Solute carrier family 22 member 1 | Homo sapiens | Inhibition | = | -7.2 | % | 18788725 |
NPT605 | Organism | Homo sapiens | Homo sapiens | Activity | = | 0.41 | % | 20022146 |
NPT45 | Individual Protein | Ubiquitin carboxyl-terminal hydrolase 2 | Homo sapiens | Potency | = | 22387.2 | nM | PubChem BioAssay data set |
NPT47 | Individual Protein | ATP-dependent DNA helicase Q1 | Homo sapiens | Potency | = | 3548.1 | nM | PubChem BioAssay data set |
NPT2741 | Individual Protein | Pyruvate kinase | Leishmania mexicana | Potency | = | 794.3 | nM | PubChem BioAssay data set |
NPT2 | Others | Unspecified | Potency | = | 44668.4 | nM | PubChem BioAssay data set | |
NPT2 | Others | Unspecified | Potency | = | 12589.3 | nM | PubChem BioAssay data set | |
NPT47 | Individual Protein | ATP-dependent DNA helicase Q1 | Homo sapiens | Potency | = | 2238.7 | nM | PubChem BioAssay data set |
NPT48 | Individual Protein | Lysine-specific demethylase 4D-like | Homo sapiens | Potency | = | 3981.1 | nM | PubChem BioAssay data set |
NPT48 | Individual Protein | Lysine-specific demethylase 4D-like | Homo sapiens | Potency | = | 15848.9 | nM | PubChem BioAssay data set |
NPT940 | Individual Protein | Serine/threonine-protein kinase mTOR | Homo sapiens | Potency | = | 23280.9 | nM | PubChem BioAssay data set |
NPT248 | Individual Protein | Estrogen receptor beta | Homo sapiens | IC50 | > | 50000 | nM | PubChem BioAssay data set |
NPT50 | Individual Protein | Tyrosyl-DNA phosphodiesterase 1 | Homo sapiens | Potency | = | 501.2 | nM | PubChem BioAssay data set |
NPT50 | Individual Protein | Tyrosyl-DNA phosphodiesterase 1 | Homo sapiens | Potency | = | 794.3 | nM | PubChem BioAssay data set |
NPT51 | Individual Protein | Microtubule-associated protein tau | Homo sapiens | Potency | = | 7079.5 | nM | PubChem BioAssay data set |
NPT51 | Individual Protein | Microtubule-associated protein tau | Homo sapiens | Potency | = | 3162.3 | nM | PubChem BioAssay data set |
NPT2 | Others | Unspecified | Potency | = | 11220.2 | nM | PubChem BioAssay data set | |
NPT51 | Individual Protein | Microtubule-associated protein tau | Homo sapiens | Potency | = | 35481.3 | nM | PubChem BioAssay data set |
NPT794 | Individual Protein | Endonuclease 4 | Escherichia coli K-12 | Potency | = | 31622.8 | nM | PubChem BioAssay data set |
NPT531 | Individual Protein | Nuclear receptor ROR-gamma | Mus musculus | Potency | = | 35481.3 | nM | PubChem BioAssay data set |
NPT94 | Individual Protein | Aldehyde dehydrogenase 1A1 | Homo sapiens | Potency | = | 17782.8 | nM | PubChem BioAssay data set |
NPT94 | Individual Protein | Aldehyde dehydrogenase 1A1 | Homo sapiens | Potency | = | 5623.4 | nM | PubChem BioAssay data set |
NPT94 | Individual Protein | Aldehyde dehydrogenase 1A1 | Homo sapiens | Potency | = | 22387.2 | nM | PubChem BioAssay data set |
NPT2 | Others | Unspecified | Potency | = | 19952.6 | nM | PubChem BioAssay data set | |
NPT3 | Individual Protein | Thioredoxin glutathione reductase | Schistosoma mansoni | Potency | = | 22387.2 | nM | PubChem BioAssay data set |
NPT796 | Individual Protein | Peripheral myelin protein 22 | Homo sapiens | Potency | = | 84921.4 | nM | PubChem BioAssay data set |
NPT53 | Individual Protein | 4'-phosphopantetheinyl transferase ffp | Bacillus subtilis | Potency | = | 79432.8 | nM | PubChem BioAssay data set |
NPT53 | Individual Protein | 4'-phosphopantetheinyl transferase ffp | Bacillus subtilis | Potency | = | 12589.3 | nM | PubChem BioAssay data set |
NPT940 | Individual Protein | Serine/threonine-protein kinase mTOR | Homo sapiens | Potency | = | 26121.6 | nM | PubChem BioAssay data set |
NPT792 | Individual Protein | Arachidonate 15-lipoxygenase | Homo sapiens | Potency | = | 1258.9 | nM | PubChem BioAssay data set |
NPT51 | Individual Protein | Microtubule-associated protein tau | Homo sapiens | Potency | = | 5623.4 | nM | PubChem BioAssay data set |
NPT940 | Individual Protein | Serine/threonine-protein kinase mTOR | Homo sapiens | Potency | = | 16481.6 | nM | PubChem BioAssay data set |
NPT197 | Protein-Protein Interaction | Menin/Histone-lysine N-methyltransferase MLL | Homo sapiens | Potency | = | 25118.9 | nM | PubChem BioAssay data set |
NPT55 | Individual Protein | Putative fructose-1,6-bisphosphate aldolase | Giardia intestinalis | Potency | = | 14091.9 | nM | PubChem BioAssay data set |
NPT55 | Individual Protein | Putative fructose-1,6-bisphosphate aldolase | Giardia intestinalis | Potency | = | 17740.7 | nM | PubChem BioAssay data set |
NPT55 | Individual Protein | Putative fructose-1,6-bisphosphate aldolase | Giardia intestinalis | Potency | = | 11193.6 | nM | PubChem BioAssay data set |
NPT150 | Individual Protein | Anthrax lethal factor | Bacillus anthracis | Potency | = | 31622.8 | nM | PubChem BioAssay data set |
NPT56 | Individual Protein | Beta-lactamase AmpC | Escherichia coli K-12 | Potency | = | 79432.8 | nM | PubChem BioAssay data set |
NPT49 | Individual Protein | DNA-(apurinic or apyrimidinic site) lyase | Homo sapiens | Potency | = | 7943.3 | nM | PubChem BioAssay data set |
NPT58 | Individual Protein | Bloom syndrome protein | Homo sapiens | Potency | = | 3548.1 | nM | PubChem BioAssay data set |
NPT53 | Individual Protein | 4'-phosphopantetheinyl transferase ffp | Bacillus subtilis | Potency | = | 20969.6 | nM | PubChem BioAssay data set |
NPT151 | Individual Protein | 15-hydroxyprostaglandin dehydrogenase [NAD+] | Homo sapiens | Potency | = | 17782.8 | nM | PubChem BioAssay data set |
NPT151 | Individual Protein | 15-hydroxyprostaglandin dehydrogenase [NAD+] | Homo sapiens | Potency | = | 39810.7 | nM | PubChem BioAssay data set |
NPT149 | Individual Protein | Endoplasmic reticulum-associated amyloid beta-peptide-binding protein | Homo sapiens | Potency | = | 125.9 | nM | PubChem BioAssay data set |
NPT60 | Individual Protein | Lysosomal alpha-glucosidase | Homo sapiens | Potency | = | 3548.1 | nM | PubChem BioAssay data set |
NPT58 | Individual Protein | Bloom syndrome protein | Homo sapiens | Potency | = | 17782.8 | nM | PubChem BioAssay data set |
NPT109 | Individual Protein | Cytochrome P450 3A4 | Homo sapiens | Potency | = | 15848.9 | nM | PubChem BioAssay data set |
NPT59 | Individual Protein | DNA polymerase beta | Homo sapiens | Potency | = | 1122 | nM | PubChem BioAssay data set |
NPT47 | Individual Protein | ATP-dependent DNA helicase Q1 | Homo sapiens | Potency | = | 1412.5 | nM | PubChem BioAssay data set |
NPT2 | Others | Unspecified | Potency | = | 15848.9 | nM | PubChem BioAssay data set | |
NPT59 | Individual Protein | DNA polymerase beta | Homo sapiens | Potency | = | 1412.5 | nM | PubChem BioAssay data set |
NPT532 | Individual Protein | Lysine-specific demethylase 4A | Homo sapiens | Potency | 19952.6 | nM | PubChem BioAssay data set | |
NPT62 | Individual Protein | 6-phospho-1-fructokinase | Trypanosoma brucei | Potency | 37933 | nM | PubChem BioAssay data set | |
NPT1482 | Individual Protein | 2,3-bisphosphoglycerate-independent phosphoglycerate mutase | Leishmania major | Potency | 37933 | nM | PubChem BioAssay data set | |
NPT443 | Individual Protein | Histone acetyltransferase GCN5 | Homo sapiens | Potency | 14125.4 | nM | PubChem BioAssay data set | |
NPT443 | Individual Protein | Histone acetyltransferase GCN5 | Homo sapiens | Potency | 7943.3 | nM | PubChem BioAssay data set | |
NPT62 | Individual Protein | 6-phospho-1-fructokinase | Trypanosoma brucei | Potency | 4775.5 | nM | PubChem BioAssay data set | |
NPT800 | Individual Protein | M-phase phosphoprotein 8 | Homo sapiens | Potency | 44668.4 | nM | PubChem BioAssay data set | |
NPT800 | Individual Protein | M-phase phosphoprotein 8 | Homo sapiens | Potency | 1888.8 | nM | PubChem BioAssay data set | |
NPT7 | Individual Protein | Thioredoxin reductase 1, cytoplasmic | Rattus norvegicus | Potency | 3768.6 | nM | PubChem BioAssay data set | |
NPT5 | Individual Protein | Histone-lysine N-methyltransferase, H3 lysine-9 specific 3 | Homo sapiens | Potency | 2511.9 | nM | PubChem BioAssay data set | |
NPT5 | Individual Protein | Histone-lysine N-methyltransferase, H3 lysine-9 specific 3 | Homo sapiens | Potency | 1412.5 | nM | PubChem BioAssay data set | |
NPT5 | Individual Protein | Histone-lysine N-methyltransferase, H3 lysine-9 specific 3 | Homo sapiens | Potency | 446.7 | nM | PubChem BioAssay data set | |
NPT62 | Individual Protein | 6-phospho-1-fructokinase | Trypanosoma brucei | Potency | 9528.3 | nM | PubChem BioAssay data set | |
NPT135 | Individual Protein | Chromobox protein homolog 1 | Homo sapiens | Potency | 1888.8 | nM | PubChem BioAssay data set | |
NPT534 | Individual Protein | Phosphoglycerate kinase, glycosomal | Trypanosoma brucei brucei | Potency | 2133.1 | nM | PubChem BioAssay data set | |
NPT63 | Individual Protein | Bromodomain adjacent to zinc finger domain protein 2B | Homo sapiens | Potency | 15848.9 | nM | PubChem BioAssay data set | |
NPT62 | Individual Protein | 6-phospho-1-fructokinase | Trypanosoma brucei | Potency | 30131.3 | nM | PubChem BioAssay data set | |
NPT803 | Individual Protein | Flap endonuclease 1 | Homo sapiens | Potency | 843.7 | nM | PubChem BioAssay data set | |
NPT109 | Individual Protein | Cytochrome P450 3A4 | Homo sapiens | AC50 | = | 15848.93 | nM | PubChem BioAssay data set |
NPT208 | Individual Protein | Cytochrome P450 1A2 | Homo sapiens | AC50 | = | 39810.72 | nM | PubChem BioAssay data set |
NPT198 | Individual Protein | Vitamin D receptor | Homo sapiens | Potency | 50118.7 | nM | PubChem BioAssay data set | |
NPT478 | Individual Protein | Ataxin-2 | Homo sapiens | Potency | 22387.2 | nM | PubChem BioAssay data set | |
NPT2 | Others | Unspecified | Potency | 112201.8 | nM | PubChem BioAssay data set | ||
NPT135 | Individual Protein | Chromobox protein homolog 1 | Homo sapiens | Potency | 28183.8 | nM | PubChem BioAssay data set | |
NPT8 | Individual Protein | DNA polymerase iota | Homo sapiens | Potency | 2511.9 | nM | PubChem BioAssay data set | |
NPT7 | Individual Protein | Thioredoxin reductase 1, cytoplasmic | Rattus norvegicus | Potency | 23778.1 | nM | PubChem BioAssay data set | |
NPT803 | Individual Protein | Flap endonuclease 1 | Homo sapiens | Potency | 56234.1 | nM | PubChem BioAssay data set | |
NPT698 | Individual Protein | Regulator of G-protein signaling 4 | Homo sapiens | Potency | 26679.5 | nM | PubChem BioAssay data set | |
NPT8 | Individual Protein | DNA polymerase iota | Homo sapiens | Potency | 2238.7 | nM | PubChem BioAssay data set | |
NPT8 | Individual Protein | DNA polymerase iota | Homo sapiens | Potency | 25118.9 | nM | PubChem BioAssay data set | |
NPT9 | Individual Protein | DNA polymerase eta | Homo sapiens | Potency | 3162.3 | nM | PubChem BioAssay data set | |
NPT199 | Individual Protein | DNA polymerase kappa | Homo sapiens | Potency | 8912.5 | nM | PubChem BioAssay data set | |
NPT199 | Individual Protein | DNA polymerase kappa | Homo sapiens | Potency | 2667.9 | nM | PubChem BioAssay data set | |
NPT199 | Individual Protein | DNA polymerase kappa | Homo sapiens | Potency | 3548.1 | nM | PubChem BioAssay data set | |
NPT154 | Individual Protein | Mothers against decapentaplegic homolog 3 | Homo sapiens | Potency | 3981.1 | nM | PubChem BioAssay data set | |
NPT519 | Cell Line | SH-SY5Y | Homo sapiens | Potency | 31622.8 | nM | PubChem BioAssay data set | |
NPT2 | Others | Unspecified | Potency | 22.4 | nM | PubChem BioAssay data set | ||
NPT2 | Others | Unspecified | Potency | 4609 | nM | PubChem BioAssay data set | ||
NPT257 | Individual Protein | Arachidonate 15-lipoxygenase | Oryctolagus cuniculus | IC50 | = | 2126 | nM | DrugMatrix in vitro pharmacology data |
NPT285 | Individual Protein | Epidermal growth factor receptor erbB1 | Homo sapiens | IC50 | = | 5228 | nM | DrugMatrix in vitro pharmacology data |
NPT14 | Individual Protein | Tyrosine-protein kinase FYN | Homo sapiens | IC50 | = | 5176 | nM | DrugMatrix in vitro pharmacology data |
NPT1237 | Individual Protein | Oligopeptide transporter small intestine isoform | Homo sapiens | IC50 | = | 151600000 | nM | 10052994 |
NPT10 | Individual Protein | Geminin | Homo sapiens | Potency | 2592.9 | nM | PubChem BioAssay data set | |
NPT100 | Individual Protein | Glutaminase kidney isoform, mitochondrial | Homo sapiens | Potency | 3162.3 | nM | PubChem BioAssay data set | |
NPT10 | Individual Protein | Geminin | Homo sapiens | Potency | 2818.4 | nM | PubChem BioAssay data set | |
NPT478 | Individual Protein | Ataxin-2 | Homo sapiens | Potency | 39810.7 | nM | PubChem BioAssay data set | |
NPT478 | Individual Protein | Ataxin-2 | Homo sapiens | Potency | 12589.3 | nM | PubChem BioAssay data set | |
NPT755 | Individual Protein | Peptidyl-prolyl cis-trans isomerase NIMA-interacting 1 | Homo sapiens | Potency | 50118.7 | nM | PubChem BioAssay data set | |
NPT2 | Others | Unspecified | Potency | 35481.3 | nM | PubChem BioAssay data set | ||
NPT2 | Others | Unspecified | Potency | 33498.3 | nM | PubChem BioAssay data set | ||
NPT2 | Others | Unspecified | Potency | 11220.2 | nM | PubChem BioAssay data set | ||
NPT73 | Individual Protein | Solute carrier organic anion transporter family member 1B1 | Homo sapiens | Inhibition | = | 111.32 | % | 23571415 |
NPT72 | Individual Protein | Solute carrier organic anion transporter family member 1B3 | Homo sapiens | Inhibition | = | 103.52 | % | 23571415 |
NPT2 | Others | Unspecified | Potency | 615.7 | nM | PubChem BioAssay data set | ||
NPT104 | Individual Protein | Cerebroside-sulfatase | Homo sapiens | Potency | 37933 | nM | PubChem BioAssay data set | |
NPT105 | Individual Protein | Muscleblind-like protein 1 | Homo sapiens | Potency | 50118.7 | nM | PubChem BioAssay data set | |
NPT2 | Others | Unspecified | Potency | 61566 | nM | PubChem BioAssay data set | ||
NPT49 | Individual Protein | DNA-(apurinic or apyrimidinic site) lyase | Homo sapiens | Potency | 1122 | nM | PubChem BioAssay data set | |
NPT2 | Others | Unspecified | Potency | 1559.3 | nM | PubChem BioAssay data set | ||
NPT867 | Individual Protein | Caspase-6 | Homo sapiens | AC50 | 39230 | nM | PubChem BioAssay data set | |
NPT803 | Individual Protein | Flap endonuclease 1 | Homo sapiens | Potency | 75686.3 | nM | PubChem BioAssay data set | |
NPT49 | Individual Protein | DNA-(apurinic or apyrimidinic site) lyase | Homo sapiens | Potency | 1584.9 | nM | PubChem BioAssay data set | |
NPT2 | Others | Unspecified | Potency | 77507 | nM | PubChem BioAssay data set | ||
NPT2 | Others | Unspecified | Potency | 3085.6 | nM | PubChem BioAssay data set | ||
NPT446 | Individual Protein | Rap guanine nucleotide exchange factor 3 | Homo sapiens | Potency | 10000 | nM | PubChem BioAssay data set | |
NPT2 | Others | Unspecified | Potency | 6309.6 | nM | PubChem BioAssay data set | ||
NPT29 | Organism | Rattus norvegicus | Rattus norvegicus | Activity | = | 44 | mmHg | 1246045 |
NPT29 | Organism | Rattus norvegicus | Rattus norvegicus | Activity | = | 85 | mmHg | 1246045 |
NPT29 | Organism | Rattus norvegicus | Rattus norvegicus | Activity | = | 106.2 | % | 915896 |
NPT29 | Organism | Rattus norvegicus | Rattus norvegicus | Activity | = | 104.1 | % | 915896 |
NPT29 | Organism | Rattus norvegicus | Rattus norvegicus | Activity | = | -31 | % | 915896 |
NPT29 | Organism | Rattus norvegicus | Rattus norvegicus | Activity | = | -50 | % | 915896 |
NPT29 | Organism | Rattus norvegicus | Rattus norvegicus | Activity | = | -47.7 | % | 915896 |
NPT29 | Organism | Rattus norvegicus | Rattus norvegicus | Activity | = | -16.5 | % | 915896 |
NPT29 | Organism | Rattus norvegicus | Rattus norvegicus | Activity | = | 31 | % | 915896 |
NPT29 | Organism | Rattus norvegicus | Rattus norvegicus | Activity | = | -19.3 | % | 915896 |
NPT48 | Individual Protein | Lysine-specific demethylase 4D-like | Homo sapiens | IC50 | = | 3000 | nM | 10.1039/C1MD00199J |
NPT712 | Individual Protein | Bile salt export pump | Rattus norvegicus | IC50 | > | 1000000 | nM | 21965623 |
NPT713 | Individual Protein | Bile salt export pump | Homo sapiens | IC50 | > | 1000000 | nM | 21965623 |
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 NPC321561 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 |
---|---|---|
0.9431 | High Similarity | NPC161593 |
0.9431 | High Similarity | NPC16031 |
0.9431 | High Similarity | NPC145888 |
0.9286 | High Similarity | NPC88667 |
0.8731 | High Similarity | NPC66518 |
0.8571 | High Similarity | NPC222084 |
0.8512 | High Similarity | NPC148969 |
0.8496 | Intermediate Similarity | NPC6913 |
0.8455 | Intermediate Similarity | NPC281686 |
0.8455 | Intermediate Similarity | NPC188867 |
0.8455 | Intermediate Similarity | NPC106551 |
0.8279 | Intermediate Similarity | NPC146422 |
0.8254 | Intermediate Similarity | NPC239697 |
0.8226 | Intermediate Similarity | NPC4665 |
0.811 | Intermediate Similarity | NPC319950 |
0.8062 | Intermediate Similarity | NPC27581 |
0.8031 | Intermediate Similarity | NPC142638 |
0.8031 | Intermediate Similarity | NPC317784 |
0.8031 | Intermediate Similarity | NPC85276 |
0.8031 | Intermediate Similarity | NPC63126 |
0.7984 | Intermediate Similarity | NPC326079 |
0.7923 | Intermediate Similarity | NPC194416 |
0.7923 | Intermediate Similarity | NPC177291 |
0.7923 | Intermediate Similarity | NPC322332 |
0.7923 | Intermediate Similarity | NPC142577 |
0.7907 | Intermediate Similarity | NPC118522 |
0.7907 | Intermediate Similarity | NPC115627 |
0.7907 | Intermediate Similarity | NPC169207 |
0.7857 | Intermediate Similarity | NPC142599 |
0.7787 | Intermediate Similarity | NPC1786 |
0.7787 | Intermediate Similarity | NPC294902 |
0.7787 | Intermediate Similarity | NPC1075 |
0.7786 | Intermediate Similarity | NPC472271 |
0.7778 | Intermediate Similarity | NPC325651 |
0.7778 | Intermediate Similarity | NPC264558 |
0.7761 | Intermediate Similarity | NPC476353 |
0.7744 | Intermediate Similarity | NPC471927 |
0.7734 | Intermediate Similarity | NPC61062 |
0.7734 | Intermediate Similarity | NPC277394 |
0.7734 | Intermediate Similarity | NPC299252 |
0.7731 | Intermediate Similarity | NPC245561 |
0.771 | Intermediate Similarity | NPC98305 |
0.7704 | Intermediate Similarity | NPC296712 |
0.7687 | Intermediate Similarity | NPC280767 |
0.7674 | Intermediate Similarity | NPC200988 |
0.7674 | Intermediate Similarity | NPC145023 |
0.7674 | Intermediate Similarity | NPC610 |
0.7674 | Intermediate Similarity | NPC175799 |
0.7674 | Intermediate Similarity | NPC150919 |
0.7669 | Intermediate Similarity | NPC13020 |
0.7669 | Intermediate Similarity | NPC140359 |
0.7667 | Intermediate Similarity | NPC52472 |
0.7664 | Intermediate Similarity | NPC45191 |
0.7647 | Intermediate Similarity | NPC109955 |
0.7638 | Intermediate Similarity | NPC309808 |
0.7634 | Intermediate Similarity | NPC265454 |
0.7634 | Intermediate Similarity | NPC34634 |
0.763 | Intermediate Similarity | NPC236347 |
0.763 | Intermediate Similarity | NPC323775 |
0.7623 | Intermediate Similarity | NPC52087 |
0.7623 | Intermediate Similarity | NPC471511 |
0.7623 | Intermediate Similarity | NPC120719 |
0.7619 | Intermediate Similarity | NPC226250 |
0.7615 | Intermediate Similarity | NPC86198 |
0.7615 | Intermediate Similarity | NPC205502 |
0.7612 | Intermediate Similarity | NPC288945 |
0.7612 | Intermediate Similarity | NPC85565 |
0.76 | Intermediate Similarity | NPC326187 |
0.7578 | Intermediate Similarity | NPC221870 |
0.7576 | Intermediate Similarity | NPC56634 |
0.7574 | Intermediate Similarity | NPC281020 |
0.7561 | Intermediate Similarity | NPC13495 |
0.7559 | Intermediate Similarity | NPC48525 |
0.7557 | Intermediate Similarity | NPC156654 |
0.7557 | Intermediate Similarity | NPC470214 |
0.7557 | Intermediate Similarity | NPC299406 |
0.7557 | Intermediate Similarity | NPC109371 |
0.7557 | Intermediate Similarity | NPC470215 |
0.7557 | Intermediate Similarity | NPC70084 |
0.7552 | Intermediate Similarity | NPC13696 |
0.7541 | Intermediate Similarity | NPC196479 |
0.7541 | Intermediate Similarity | NPC68055 |
0.7537 | Intermediate Similarity | NPC163083 |
0.7536 | Intermediate Similarity | NPC326966 |
0.7536 | Intermediate Similarity | NPC48909 |
0.7519 | Intermediate Similarity | NPC201777 |
0.7518 | Intermediate Similarity | NPC478147 |
0.75 | Intermediate Similarity | NPC260000 |
0.75 | Intermediate Similarity | NPC317592 |
0.75 | Intermediate Similarity | NPC95381 |
0.75 | Intermediate Similarity | NPC477814 |
0.7482 | Intermediate Similarity | NPC244866 |
0.7481 | Intermediate Similarity | NPC203124 |
0.7481 | Intermediate Similarity | NPC309434 |
0.748 | Intermediate Similarity | NPC79672 |
0.7479 | Intermediate Similarity | NPC107522 |
0.7463 | Intermediate Similarity | NPC86900 |
0.746 | Intermediate Similarity | NPC228343 |
0.746 | Intermediate Similarity | NPC254833 |
0.7459 | Intermediate Similarity | NPC110764 |
0.7445 | Intermediate Similarity | NPC158654 |
0.7444 | Intermediate Similarity | NPC236520 |
0.7444 | Intermediate Similarity | NPC294361 |
0.7442 | Intermediate Similarity | NPC328593 |
0.7442 | Intermediate Similarity | NPC261453 |
0.7442 | Intermediate Similarity | NPC33749 |
0.7438 | Intermediate Similarity | NPC280869 |
0.7426 | Intermediate Similarity | NPC257589 |
0.7426 | Intermediate Similarity | NPC53305 |
0.7424 | Intermediate Similarity | NPC268572 |
0.7422 | Intermediate Similarity | NPC131530 |
0.7419 | Intermediate Similarity | NPC239291 |
0.741 | Intermediate Similarity | NPC326599 |
0.741 | Intermediate Similarity | NPC329595 |
0.7407 | Intermediate Similarity | NPC318777 |
0.7405 | Intermediate Similarity | NPC278652 |
0.7388 | Intermediate Similarity | NPC474862 |
0.7385 | Intermediate Similarity | NPC474967 |
0.7385 | Intermediate Similarity | NPC233669 |
0.7381 | Intermediate Similarity | NPC31274 |
0.7377 | Intermediate Similarity | NPC223393 |
0.7372 | Intermediate Similarity | NPC92207 |
0.7372 | Intermediate Similarity | NPC127937 |
0.7357 | Intermediate Similarity | NPC33338 |
0.7357 | Intermediate Similarity | NPC302171 |
0.7357 | Intermediate Similarity | NPC300020 |
0.7348 | Intermediate Similarity | NPC328694 |
0.7348 | Intermediate Similarity | NPC122009 |
0.7348 | Intermediate Similarity | NPC104514 |
0.7344 | Intermediate Similarity | NPC297657 |
0.7339 | Intermediate Similarity | NPC12278 |
0.7338 | Intermediate Similarity | NPC241354 |
0.7338 | Intermediate Similarity | NPC226855 |
0.7333 | Intermediate Similarity | NPC114298 |
0.7328 | Intermediate Similarity | NPC281277 |
0.7324 | Intermediate Similarity | NPC176814 |
0.7324 | Intermediate Similarity | NPC5310 |
0.7324 | Intermediate Similarity | NPC68779 |
0.7324 | Intermediate Similarity | NPC300776 |
0.7324 | Intermediate Similarity | NPC4982 |
0.7323 | Intermediate Similarity | NPC71266 |
0.7319 | Intermediate Similarity | NPC20404 |
0.7319 | Intermediate Similarity | NPC12022 |
0.7319 | Intermediate Similarity | NPC293641 |
0.7319 | Intermediate Similarity | NPC20287 |
0.7313 | Intermediate Similarity | NPC470849 |
0.7313 | Intermediate Similarity | NPC470848 |
0.7313 | Intermediate Similarity | NPC284078 |
0.7308 | Intermediate Similarity | NPC217472 |
0.7299 | Intermediate Similarity | NPC318965 |
0.7295 | Intermediate Similarity | NPC131587 |
0.7295 | Intermediate Similarity | NPC125732 |
0.7293 | Intermediate Similarity | NPC42657 |
0.7293 | Intermediate Similarity | NPC241634 |
0.7293 | Intermediate Similarity | NPC263386 |
0.7293 | Intermediate Similarity | NPC141791 |
0.7292 | Intermediate Similarity | NPC241086 |
0.7292 | Intermediate Similarity | NPC318028 |
0.7292 | Intermediate Similarity | NPC318984 |
0.7292 | Intermediate Similarity | NPC282087 |
0.7292 | Intermediate Similarity | NPC317741 |
0.7292 | Intermediate Similarity | NPC328137 |
0.7292 | Intermediate Similarity | NPC259800 |
0.729 | Intermediate Similarity | NPC158900 |
0.7287 | Intermediate Similarity | NPC51698 |
0.7287 | Intermediate Similarity | NPC17693 |
0.7279 | Intermediate Similarity | NPC4181 |
0.7279 | Intermediate Similarity | NPC164778 |
0.7279 | Intermediate Similarity | NPC257976 |
0.7279 | Intermediate Similarity | NPC125852 |
0.7279 | Intermediate Similarity | NPC242372 |
0.7273 | Intermediate Similarity | NPC43353 |
0.7273 | Intermediate Similarity | NPC113295 |
0.7273 | Intermediate Similarity | NPC470990 |
0.7273 | Intermediate Similarity | NPC65791 |
0.7273 | Intermediate Similarity | NPC283468 |
0.7266 | Intermediate Similarity | NPC226401 |
0.7266 | Intermediate Similarity | NPC174096 |
0.7266 | Intermediate Similarity | NPC278308 |
0.7266 | Intermediate Similarity | NPC226661 |
0.7266 | Intermediate Similarity | NPC147634 |
0.7266 | Intermediate Similarity | NPC79793 |
0.7266 | Intermediate Similarity | NPC120982 |
0.7258 | Intermediate Similarity | NPC13426 |
0.7254 | Intermediate Similarity | NPC471749 |
0.7254 | Intermediate Similarity | NPC239855 |
0.7254 | Intermediate Similarity | NPC307006 |
0.7254 | Intermediate Similarity | NPC475468 |
0.7254 | Intermediate Similarity | NPC168799 |
0.7254 | Intermediate Similarity | NPC155209 |
0.7254 | Intermediate Similarity | NPC129889 |
0.7246 | Intermediate Similarity | NPC303680 |
0.7246 | Intermediate Similarity | NPC84076 |
0.7246 | Intermediate Similarity | NPC90128 |
0.7241 | Intermediate Similarity | NPC323123 |
0.7239 | Intermediate Similarity | NPC260837 |
0.7234 | Intermediate Similarity | NPC318799 |
0.7234 | Intermediate Similarity | NPC198388 |
0.7234 | Intermediate Similarity | NPC243305 |
0.7226 | Intermediate Similarity | NPC15127 |
Similarity level is defined by Tanimoto coefficient (Tc) between two molecules.
●  The left chart: Distribution of similarity level between NPC321561 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 | NPD257 | Approved |
1.0 | High Similarity | NPD258 | Approved |
0.952 | High Similarity | NPD826 | Approved |
0.952 | High Similarity | NPD825 | Approved |
0.9444 | High Similarity | NPD274 | Approved |
0.9444 | High Similarity | NPD275 | Approved |
0.9431 | High Similarity | NPD9569 | Approved |
0.9286 | High Similarity | NPD259 | Phase 1 |
0.9141 | High Similarity | NPD555 | Phase 2 |
0.9127 | High Similarity | NPD9537 | Phase 1 |
0.9127 | High Similarity | NPD9536 | Phase 1 |
0.8992 | High Similarity | NPD256 | Approved |
0.8992 | High Similarity | NPD255 | Approved |
0.8722 | High Similarity | NPD9570 | Approved |
0.8455 | Intermediate Similarity | NPD9568 | Approved |
0.8279 | Intermediate Similarity | NPD9379 | Approved |
0.8279 | Intermediate Similarity | NPD9377 | Approved |
0.8125 | Intermediate Similarity | NPD3455 | Phase 2 |
0.8077 | Intermediate Similarity | NPD9622 | Approved |
0.7907 | Intermediate Similarity | NPD9381 | Approved |
0.7907 | Intermediate Similarity | NPD9384 | Approved |
0.7744 | Intermediate Similarity | NPD9634 | Clinical (unspecified phase) |
0.7687 | Intermediate Similarity | NPD3055 | Approved |
0.7687 | Intermediate Similarity | NPD3053 | Approved |
0.763 | Intermediate Similarity | NPD9621 | Approved |
0.763 | Intermediate Similarity | NPD9619 | Approved |
0.763 | Intermediate Similarity | NPD9620 | Approved |
0.7612 | Intermediate Similarity | NPD196 | Phase 1 |
0.7609 | Intermediate Similarity | NPD1132 | Approved |
0.7609 | Intermediate Similarity | NPD1136 | Approved |
0.7609 | Intermediate Similarity | NPD1130 | Approved |
0.7591 | Intermediate Similarity | NPD3136 | Phase 2 |
0.7578 | Intermediate Similarity | NPD9614 | Approved |
0.7578 | Intermediate Similarity | NPD9618 | Approved |
0.7536 | Intermediate Similarity | NPD597 | Approved |
0.7536 | Intermediate Similarity | NPD601 | Approved |
0.7536 | Intermediate Similarity | NPD598 | Approved |
0.7481 | Intermediate Similarity | NPD5310 | Approved |
0.7481 | Intermediate Similarity | NPD5311 | Approved |
0.748 | Intermediate Similarity | NPD9608 | Approved |
0.748 | Intermediate Similarity | NPD9610 | Approved |
0.746 | Intermediate Similarity | NPD3021 | Approved |
0.746 | Intermediate Similarity | NPD3022 | Approved |
0.7447 | Intermediate Similarity | NPD817 | Approved |
0.7447 | Intermediate Similarity | NPD823 | Approved |
0.7338 | Intermediate Similarity | NPD9718 | Approved |
0.7305 | Intermediate Similarity | NPD3059 | Approved |
0.7305 | Intermediate Similarity | NPD3062 | Approved |
0.7305 | Intermediate Similarity | NPD3061 | Approved |
0.7292 | Intermediate Similarity | NPD1537 | Approved |
0.7292 | Intermediate Similarity | NPD1519 | Approved |
0.7292 | Intermediate Similarity | NPD1538 | Phase 1 |
0.7286 | Intermediate Similarity | NPD2028 | Clinical (unspecified phase) |
0.7218 | Intermediate Similarity | NPD1759 | Phase 1 |
0.7206 | Intermediate Similarity | NPD9269 | Phase 2 |
0.7203 | Intermediate Similarity | NPD5314 | Approved |
0.7188 | Intermediate Similarity | NPD9380 | Clinical (unspecified phase) |
0.7181 | Intermediate Similarity | NPD6682 | Clinical (unspecified phase) |
0.7172 | Intermediate Similarity | NPD1523 | Approved |
0.7172 | Intermediate Similarity | NPD1522 | Approved |
0.7153 | Intermediate Similarity | NPD1536 | Approved |
0.7143 | Intermediate Similarity | NPD9615 | Approved |
0.7143 | Intermediate Similarity | NPD9616 | Approved |
0.7143 | Intermediate Similarity | NPD1758 | Phase 1 |
0.7143 | Intermediate Similarity | NPD2614 | Approved |
0.7143 | Intermediate Similarity | NPD9613 | Approved |
0.7132 | Intermediate Similarity | NPD9280 | Clinical (unspecified phase) |
0.7103 | Intermediate Similarity | NPD6867 | Clinical (unspecified phase) |
0.7103 | Intermediate Similarity | NPD6866 | Clinical (unspecified phase) |
0.709 | Intermediate Similarity | NPD316 | Approved |
0.7083 | Intermediate Similarity | NPD2653 | Approved |
0.7077 | Intermediate Similarity | NPD228 | Approved |
0.7063 | Intermediate Similarity | NPD5137 | Approved |
0.7055 | Intermediate Similarity | NPD7450 | Phase 2 |
0.7055 | Intermediate Similarity | NPD1632 | Clinical (unspecified phase) |
0.7039 | Intermediate Similarity | NPD7523 | Phase 3 |
0.7034 | Intermediate Similarity | NPD1520 | Approved |
0.7034 | Intermediate Similarity | NPD1521 | Approved |
0.7029 | Intermediate Similarity | NPD1755 | Approved |
0.7015 | Intermediate Similarity | NPD318 | Approved |
0.7015 | Intermediate Similarity | NPD317 | Approved |
0.7014 | Intermediate Similarity | NPD230 | Phase 1 |
0.7007 | Intermediate Similarity | NPD7978 | Discontinued |
0.7007 | Intermediate Similarity | NPD2029 | Clinical (unspecified phase) |
0.7 | Intermediate Similarity | NPD2195 | Approved |
0.7 | Intermediate Similarity | NPD2194 | Approved |
0.6993 | Remote Similarity | NPD3686 | Approved |
0.6993 | Remote Similarity | NPD5729 | Clinical (unspecified phase) |
0.6993 | Remote Similarity | NPD3687 | Approved |
0.6992 | Remote Similarity | NPD9566 | Approved |
0.698 | Remote Similarity | NPD8166 | Discontinued |
0.698 | Remote Similarity | NPD3400 | Discontinued |
0.6953 | Remote Similarity | NPD1444 | Approved |
0.6953 | Remote Similarity | NPD1445 | Approved |
0.6944 | Remote Similarity | NPD943 | Approved |
0.6912 | Remote Similarity | NPD9268 | Approved |
0.6906 | Remote Similarity | NPD182 | Clinical (unspecified phase) |
0.6899 | Remote Similarity | NPD9265 | Clinical (unspecified phase) |
0.6889 | Remote Similarity | NPD856 | Approved |
0.6889 | Remote Similarity | NPD16 | Approved |
0.6887 | Remote Similarity | NPD2422 | Clinical (unspecified phase) |
0.6887 | Remote Similarity | NPD3845 | Phase 1 |
0.6875 | Remote Similarity | NPD2674 | Phase 3 |
0.6867 | Remote Similarity | NPD4110 | Phase 3 |
0.6867 | Remote Similarity | NPD4109 | Clinical (unspecified phase) |
0.6861 | Remote Similarity | NPD2932 | Approved |
0.6861 | Remote Similarity | NPD3019 | Approved |
0.6842 | Remote Similarity | NPD2228 | Approved |
0.6842 | Remote Similarity | NPD2229 | Approved |
0.6842 | Remote Similarity | NPD2234 | Approved |
0.6835 | Remote Similarity | NPD2337 | Clinical (unspecified phase) |
0.6831 | Remote Similarity | NPD9494 | Approved |
0.6829 | Remote Similarity | NPD1432 | Clinical (unspecified phase) |
0.6824 | Remote Similarity | NPD2239 | Approved |
0.6824 | Remote Similarity | NPD2240 | Approved |
0.6821 | Remote Similarity | NPD302 | Approved |
0.6815 | Remote Similarity | NPD8019 | Approved |
0.6815 | Remote Similarity | NPD7495 | Discontinued |
0.6812 | Remote Similarity | NPD3847 | Discontinued |
0.6809 | Remote Similarity | NPD1131 | Approved |
0.6809 | Remote Similarity | NPD1135 | Approved |
0.6809 | Remote Similarity | NPD1134 | Approved |
0.6809 | Remote Similarity | NPD1133 | Approved |
0.6809 | Remote Similarity | NPD1129 | Approved |
0.6807 | Remote Similarity | NPD6297 | Approved |
0.68 | Remote Similarity | NPD3060 | Approved |
0.68 | Remote Similarity | NPD2976 | Clinical (unspecified phase) |
0.6795 | Remote Similarity | NPD3684 | Discontinued |
0.6794 | Remote Similarity | NPD1792 | Phase 2 |
0.6791 | Remote Similarity | NPD1791 | Approved |
0.6791 | Remote Similarity | NPD1793 | Approved |
0.6786 | Remote Similarity | NPD4379 | Clinical (unspecified phase) |
0.6774 | Remote Similarity | NPD2860 | Approved |
0.6774 | Remote Similarity | NPD844 | Approved |
0.6774 | Remote Similarity | NPD2859 | Approved |
0.6772 | Remote Similarity | NPD2978 | Approved |
0.6772 | Remote Similarity | NPD2977 | Approved |
0.6766 | Remote Similarity | NPD7039 | Approved |
0.6766 | Remote Similarity | NPD7038 | Approved |
0.6761 | Remote Similarity | NPD859 | Approved |
0.6761 | Remote Similarity | NPD858 | Approved |
0.6759 | Remote Similarity | NPD554 | Clinical (unspecified phase) |
0.6753 | Remote Similarity | NPD3647 | Clinical (unspecified phase) |
0.6746 | Remote Similarity | NPD3020 | Approved |
0.6738 | Remote Similarity | NPD1283 | Approved |
0.6735 | Remote Similarity | NPD2568 | Approved |
0.672 | Remote Similarity | NPD288 | Approved |
0.6715 | Remote Similarity | NPD9545 | Approved |
0.6714 | Remote Similarity | NPD2562 | Approved |
0.6714 | Remote Similarity | NPD2561 | Approved |
0.6712 | Remote Similarity | NPD6346 | Approved |
0.671 | Remote Similarity | NPD711 | Discontinued |
0.6707 | Remote Similarity | NPD1220 | Phase 1 |
0.6694 | Remote Similarity | NPD2934 | Approved |
0.6694 | Remote Similarity | NPD2933 | Approved |
0.6693 | Remote Similarity | NPD289 | Clinical (unspecified phase) |
0.6692 | Remote Similarity | NPD9508 | Approved |
0.669 | Remote Similarity | NPD3145 | Approved |
0.669 | Remote Similarity | NPD3144 | Approved |
0.6688 | Remote Similarity | NPD4160 | Clinical (unspecified phase) |
0.6688 | Remote Similarity | NPD3645 | Discontinued |
0.6687 | Remote Similarity | NPD1221 | Approved |
0.6667 | Remote Similarity | NPD596 | Approved |
0.6667 | Remote Similarity | NPD600 | Approved |
0.6667 | Remote Similarity | NPD4093 | Discontinued |
0.6667 | Remote Similarity | NPD9495 | Approved |
0.6667 | Remote Similarity | NPD253 | Approved |
0.6647 | Remote Similarity | NPD6851 | Approved |
0.6647 | Remote Similarity | NPD6853 | Approved |
0.6646 | Remote Similarity | NPD2672 | Discontinued |
0.6645 | Remote Similarity | NPD9509 | Clinical (unspecified phase) |
0.6644 | Remote Similarity | NPD651 | Clinical (unspecified phase) |
0.6644 | Remote Similarity | NPD6663 | Approved |
0.6643 | Remote Similarity | NPD7451 | Discontinued |
0.6643 | Remote Similarity | NPD1535 | Discovery |
0.6643 | Remote Similarity | NPD599 | Approved |
0.6643 | Remote Similarity | NPD602 | Approved |
0.6639 | Remote Similarity | NPD111 | Approved |
0.6624 | Remote Similarity | NPD824 | Approved |
0.6624 | Remote Similarity | NPD3866 | Clinical (unspecified phase) |
0.6623 | Remote Similarity | NPD2420 | Approved |
0.6623 | Remote Similarity | NPD2421 | Approved |
0.6605 | Remote Similarity | NPD6315 | Phase 2 |
0.6604 | Remote Similarity | NPD5356 | Approved |
0.6604 | Remote Similarity | NPD5355 | Approved |
0.6601 | Remote Similarity | NPD6190 | Approved |
0.6599 | Remote Similarity | NPD1558 | Phase 1 |
0.6597 | Remote Similarity | NPD5736 | Approved |
0.6596 | Remote Similarity | NPD1608 | Approved |
0.6596 | Remote Similarity | NPD1481 | Phase 2 |
0.6591 | Remote Similarity | NPD9266 | Approved |
0.6591 | Remote Similarity | NPD74 | Approved |
0.6581 | Remote Similarity | NPD3536 | Discontinued |
0.6579 | Remote Similarity | NPD4162 | Approved |
0.6573 | Remote Similarity | NPD1164 | Approved |
0.6569 | Remote Similarity | NPD9493 | Approved |
0.6554 | Remote Similarity | NPD447 | Suspended |
0.6538 | Remote Similarity | NPD7526 | Approved |
0.6538 | Remote Similarity | NPD52 | Approved |
0.6538 | Remote Similarity | NPD7527 | Clinical (unspecified phase) |
PubChem CID   | 38853;6919173 |
ChEMBL   | CHEMBL459 |
ZINC   |
Molecular Weight:   | 211.08 |
ALogP:   | -1.4345 |
MLogP:   | 2.01 |
XLogP:   | -2.001 |
# Rotatable Bonds:   | 8 |
Polar Surface Area:   | 103.78 |
# H-Bond Aceptor:   | 3 |
# H-Bond Donor:   | 4 |
# Rings:   | 1 |
# Heavy Atoms:   | 15 |