Organism ID | Organism Name | Taxonomy Level | Family | SuperKingdom | Isolation Part | Collection Location | Collection Time | Reference |
---|---|---|---|---|---|---|---|---|
NPO3940 | Erioderma chilense | Species | Pannariaceae | Eukaryota | UNPD* | |||
NPO10733 | Plantago uniflora | Species | Plantaginaceae | Eukaryota | UNPD* | |||
NPO10833 | Heteromma simplicifolium | NA | NA | NA | UNPD* | |||
NPO4235 | Thymus magnus | Species | Lamiaceae | Eukaryota | UNPD* | |||
NPO25653 | Spatholobus suberectus | Species | Fabaceae | Eukaryota | TCMSP* | |||
NPO18481 | Streptomyces lincolnensis | Species | Streptomycetaceae | Bacteria | StreptomeDB* | |||
NPO4640 | Portulaca oleracea | Species | Portulacaceae | Eukaryota | TM-MC* | |||
NPO4494 | Ecbolium linneanum | Species | Acanthaceae | Eukaryota | UNPD* | |||
NPO9866 | Symphytum tuberosum | Species | Boraginaceae | Eukaryota | UNPD* | |||
NPO2462 | Machilus robusta | Species | Lauraceae | Eukaryota | UNPD* | |||
NPO1797 | Homo sapiens | Species | Hominidae | Eukaryota | blood | Geigy Scientific Tables, 8th Rev edition. Edited by C. Lentner, West Cadwell, N.J.: Medical education Div., Ciba-Geigy Corp., Basel, Switzerland c1981-1992. | ||
NPO1797 | Homo sapiens | Species | Hominidae | Eukaryota | DOI[10.1038/nbt.2488] | |||
NPO1797 | Homo sapiens | Species | Hominidae | Eukaryota | urine |
PMID[24023812] |
||
NPO1797 | Homo sapiens | Species | Hominidae | Eukaryota | cerebrospinal fluid |
PMID[3127089] |
||
NPO20338 | Mus musculus | Species | Muridae | Eukaryota |
PMID[19425150] |
|||
NPO10479 | Ophiocoma echinata | Species | Ophiocomidae | Eukaryota | UNPD* | |||
NPO1000 | Thymus transcaucasicus | Species | Lamiaceae | Eukaryota | UNPD* | |||
NPO5571 | Jacobaea arnautorum | Species | Asteraceae | Eukaryota | UNPD* | |||
NPO520 | Euphorbia lathyris | Species | Euphorbiaceae | Eukaryota | UNPD* | |||
NPO10036 | Bruguiera cylindrica | Species | Rhizophoraceae | Eukaryota | UNPD* | |||
NPO8283 | Pseudophegopteris subaurita | Species | Thelypteridaceae | Eukaryota | UNPD* | |||
NPO10959 | Kalanchoe marmorata | Species | Crassulaceae | Eukaryota | UNPD* |
Target ID | Target Type | Target Name | Target Organism | Activity Type | Activity Relation | Value | Unit | Reference |
---|---|---|---|---|---|---|---|---|
NPT285 | Individual Protein | Epidermal growth factor receptor erbB1 | Homo sapiens | IC50 | = | 900000 | nM | 2552117 |
NPT4222 | Cell Line | YT-NU | Homo sapiens | Inhibition | = | 24 | % | 6788955 |
NPT4223 | Cell Line | Don | Cricetulus griseus | Inhibition | = | 6 | % | 6788955 |
NPT741 | Individual Protein | Tyrosinase | Homo sapiens | IC50 | = | 8400000 | nM | 12824045 |
NPT29 | Organism | Rattus norvegicus | Rattus norvegicus | Activity | = | 203.4 | U/g.Hb | 17451233 |
NPT29 | Organism | Rattus norvegicus | Rattus norvegicus | Activity | = | 795.6 | U/g | 17451233 |
NPT29 | Organism | Rattus norvegicus | Rattus norvegicus | Activity | = | 3.36 | pmol/mg | 19093882 |
NPT29 | Organism | Rattus norvegicus | Rattus norvegicus | Activity | = | 0.07 | pmol/mg | 19093882 |
NPT613 | Individual Protein | Solute carrier family 22 member 1 | Homo sapiens | Inhibition | = | 21.7 | % | 18788725 |
NPT605 | Organism | Homo sapiens | Homo sapiens | Activity | = | 0.86 | % | 20022146 |
NPT29 | Organism | Rattus norvegicus | Rattus norvegicus | Activity | = | 104 | 20646792 | |
NPT29 | Organism | Rattus norvegicus | Rattus norvegicus | Activity | = | 71 | 20646792 | |
NPT29 | Organism | Rattus norvegicus | Rattus norvegicus | Activity | = | 1021 | 20646792 | |
NPT29 | Organism | Rattus norvegicus | Rattus norvegicus | Activity | = | 522 | 20646792 | |
NPT29 | Organism | Rattus norvegicus | Rattus norvegicus | Activity | = | 5.7 | % | 20801048 |
NPT29 | Organism | Rattus norvegicus | Rattus norvegicus | Activity | = | 2 | % | 20801048 |
NPT47 | Individual Protein | ATP-dependent DNA helicase Q1 | Homo sapiens | Potency | = | 12589.3 | nM | PubChem BioAssay data set |
NPT2741 | Individual Protein | Pyruvate kinase | Leishmania mexicana | Potency | = | 25118.9 | nM | PubChem BioAssay data set |
NPT2 | Others | Unspecified | Potency | = | 2238.7 | nM | PubChem BioAssay data set | |
NPT48 | Individual Protein | Lysine-specific demethylase 4D-like | Homo sapiens | Potency | = | 12589.3 | nM | PubChem BioAssay data set |
NPT50 | Individual Protein | Tyrosyl-DNA phosphodiesterase 1 | Homo sapiens | Potency | = | 501.2 | nM | PubChem BioAssay data set |
NPT211 | Individual Protein | Hypoxia-inducible factor 1 alpha | Homo sapiens | Potency | = | 10000 | nM | PubChem BioAssay data set |
NPT53 | Individual Protein | 4'-phosphopantetheinyl transferase ffp | Bacillus subtilis | Potency | = | 39810.7 | nM | PubChem BioAssay data set |
NPT792 | Individual Protein | Arachidonate 15-lipoxygenase | Homo sapiens | Potency | = | 39810.7 | nM | PubChem BioAssay data set |
NPT53 | Individual Protein | 4'-phosphopantetheinyl transferase ffp | Bacillus subtilis | Potency | = | 6.3 | nM | PubChem BioAssay data set |
NPT95 | Individual Protein | Muscarinic acetylcholine receptor M1 | Rattus norvegicus | Potency | = | 70.8 | nM | PubChem BioAssay data set |
NPT149 | Individual Protein | Endoplasmic reticulum-associated amyloid beta-peptide-binding protein | Homo sapiens | Potency | = | 3981.1 | nM | PubChem BioAssay data set |
NPT149 | Individual Protein | Endoplasmic reticulum-associated amyloid beta-peptide-binding protein | Homo sapiens | Potency | = | 316.2 | nM | PubChem BioAssay data set |
NPT45 | Individual Protein | Ubiquitin carboxyl-terminal hydrolase 2 | Homo sapiens | Potency | = | 20749.1 | nM | PubChem BioAssay data set |
NPT2 | Others | Unspecified | Activity | = | 76 | % | 21041094 | |
NPT35 | Others | n.a. | Inhibition | = | 65 | % | 21041094 | |
NPT2 | Others | Unspecified | Inhibition | = | 23 | % | 21041094 | |
NPT532 | Individual Protein | Lysine-specific demethylase 4A | Homo sapiens | Potency | 39810.7 | nM | PubChem BioAssay data set | |
NPT800 | Individual Protein | M-phase phosphoprotein 8 | Homo sapiens | Potency | 7519.3 | nM | PubChem BioAssay data set | |
NPT7 | Individual Protein | Thioredoxin reductase 1, cytoplasmic | Rattus norvegicus | Potency | 29934.9 | nM | PubChem BioAssay data set | |
NPT5 | Individual Protein | Histone-lysine N-methyltransferase, H3 lysine-9 specific 3 | Homo sapiens | Potency | 7943.3 | nM | PubChem BioAssay data set | |
NPT5 | Individual Protein | Histone-lysine N-methyltransferase, H3 lysine-9 specific 3 | Homo sapiens | Potency | 19952.6 | nM | PubChem BioAssay data set | |
NPT62 | Individual Protein | 6-phospho-1-fructokinase | Trypanosoma brucei | Potency | 23934.1 | nM | PubChem BioAssay data set | |
NPT534 | Individual Protein | Phosphoglycerate kinase, glycosomal | Trypanosoma brucei brucei | Potency | 9528.3 | nM | PubChem BioAssay data set | |
NPT135 | Individual Protein | Chromobox protein homolog 1 | Homo sapiens | Potency | 31622.8 | nM | PubChem BioAssay data set | |
NPT533 | Protein-Protein Interaction | Runt-related transcription factor 1/Core-binding factor subunit beta | Homo sapiens | Potency | 3981.1 | nM | PubChem BioAssay data set | |
NPT755 | Individual Protein | Peptidyl-prolyl cis-trans isomerase NIMA-interacting 1 | Homo sapiens | Potency | 37933 | nM | PubChem BioAssay data set | |
NPT803 | Individual Protein | Flap endonuclease 1 | Homo sapiens | Potency | 3768.6 | nM | PubChem BioAssay data set | |
NPT29 | Organism | Rattus norvegicus | Rattus norvegicus | Activity | = | 86 | 21534547 | |
NPT29 | Organism | Rattus norvegicus | Rattus norvegicus | Activity | = | 316.8 | cm | 21534547 |
NPT29 | Organism | Rattus norvegicus | Rattus norvegicus | Activity | = | 2.6 | cm/s | 21534547 |
NPT29 | Organism | Rattus norvegicus | Rattus norvegicus | Activity | = | 4.6 | 21534547 | |
NPT29 | Organism | Rattus norvegicus | Rattus norvegicus | Activity | = | 9.6 | 21534547 | |
NPT2 | Others | Unspecified | Potency | 56234.1 | nM | PubChem BioAssay data set | ||
NPT135 | Individual Protein | Chromobox protein homolog 1 | Homo sapiens | Potency | 19952.6 | nM | PubChem BioAssay data set | |
NPT803 | Individual Protein | Flap endonuclease 1 | Homo sapiens | Potency | 50118.7 | nM | PubChem BioAssay data set | |
NPT8 | Individual Protein | DNA polymerase iota | Homo sapiens | Potency | 22387.2 | nM | PubChem BioAssay data set | |
NPT9 | Individual Protein | DNA polymerase eta | Homo sapiens | Potency | 31622.8 | nM | PubChem BioAssay data set | |
NPT199 | Individual Protein | DNA polymerase kappa | Homo sapiens | Potency | 11917.3 | nM | PubChem BioAssay data set | |
NPT199 | Individual Protein | DNA polymerase kappa | Homo sapiens | Potency | 1000 | nM | PubChem BioAssay data set | |
NPT199 | Individual Protein | DNA polymerase kappa | Homo sapiens | Potency | 6701.6 | nM | PubChem BioAssay data set | |
NPT199 | Individual Protein | DNA polymerase kappa | Homo sapiens | Potency | 22387.2 | nM | PubChem BioAssay data set | |
NPT71 | Cell Line | HEK293 | Homo sapiens | Potency | 25017.6 | nM | PubChem BioAssay data set | |
NPT2 | Others | Unspecified | Potency | 7304.8 | nM | PubChem BioAssay data set | ||
NPT2 | Others | Unspecified | Potency | 15785 | nM | PubChem BioAssay data set | ||
NPT198 | Individual Protein | Vitamin D receptor | Homo sapiens | Potency | 3.5 | nM | PubChem BioAssay data set | |
NPT257 | Individual Protein | Arachidonate 15-lipoxygenase | Oryctolagus cuniculus | IC50 | = | 2258 | nM | DrugMatrix in vitro pharmacology data |
NPT285 | Individual Protein | Epidermal growth factor receptor erbB1 | Homo sapiens | IC50 | = | 2880 | nM | DrugMatrix in vitro pharmacology data |
NPT14 | Individual Protein | Tyrosine-protein kinase FYN | Homo sapiens | IC50 | = | 2146 | nM | DrugMatrix in vitro pharmacology data |
NPT13 | Individual Protein | Tyrosine-protein kinase LCK | Homo sapiens | IC50 | = | 3729 | nM | DrugMatrix in vitro pharmacology data |
NPT445 | Individual Protein | Peripheral myelin protein 22 | Rattus norvegicus | Potency | 3219.7 | nM | PubChem BioAssay data set | |
NPT2 | Others | Unspecified | Potency | 14381.8 | nM | PubChem BioAssay data set | ||
NPT484 | Individual Protein | Luciferin 4-monooxygenase | Photinus pyralis | Potency | 32196.8 | nM | PubChem BioAssay data set | |
NPT534 | Individual Protein | Phosphoglycerate kinase, glycosomal | Trypanosoma brucei brucei | Potency | 22387.2 | nM | PubChem BioAssay data set | |
NPT1153 | Individual Protein | Monocarboxylate transporter 10 | Rattus norvegicus | Activity | = | 40 | % | 11278508 |
NPT1237 | Individual Protein | Oligopeptide transporter small intestine isoform | Homo sapiens | IC50 | = | 141200000 | nM | 10052994 |
NPT100 | Individual Protein | Glutaminase kidney isoform, mitochondrial | Homo sapiens | Potency | 14125.4 | nM | PubChem BioAssay data set | |
NPT100 | Individual Protein | Glutaminase kidney isoform, mitochondrial | Homo sapiens | Potency | 35481.3 | nM | PubChem BioAssay data set | |
NPT242 | Individual Protein | Dopamine D1 receptor | Homo sapiens | Potency | 8199.5 | nM | PubChem BioAssay data set | |
NPT2 | Others | Unspecified | Potency | 10000 | nM | PubChem BioAssay data set | ||
NPT10 | Individual Protein | Geminin | Homo sapiens | Potency | 3162.3 | nM | PubChem BioAssay data set | |
NPT478 | Individual Protein | Ataxin-2 | Homo sapiens | Potency | 11220.2 | nM | PubChem BioAssay data set | |
NPT53 | Individual Protein | 4'-phosphopantetheinyl transferase ffp | Bacillus subtilis | Potency | 223500 | nM | PubChem BioAssay data set | |
NPT821 | Individual Protein | Werner syndrome ATP-dependent helicase | Homo sapiens | Potency | 6701.6 | nM | PubChem BioAssay data set | |
NPT755 | Individual Protein | Peptidyl-prolyl cis-trans isomerase NIMA-interacting 1 | Homo sapiens | Potency | 89125.1 | nM | PubChem BioAssay data set | |
NPT32 | Organism | Mus musculus | Mus musculus | Activity | = | 65.6 | % | 10.1007/s00044-011-9786-y |
NPT4879 | Organism | Daucus carota | Daucus carota | Activity | = | 28.1 | ug | 10.1016/j.cropro.2005.06.011 |
NPT4879 | Organism | Daucus carota | Daucus carota | Activity | = | 27.4 | ug | 10.1016/j.cropro.2005.06.011 |
NPT4879 | Organism | Daucus carota | Daucus carota | Activity | = | 27.9 | ug | 10.1016/j.cropro.2005.06.011 |
NPT4879 | Organism | Daucus carota | Daucus carota | Activity | = | 28.2 | ug | 10.1016/j.cropro.2005.06.011 |
NPT4879 | Organism | Daucus carota | Daucus carota | Activity | = | 22.9 | ug | 10.1016/j.cropro.2005.06.011 |
NPT4879 | Organism | Daucus carota | Daucus carota | Activity | = | 17.9 | ug | 10.1016/j.cropro.2005.06.011 |
NPT4879 | Organism | Daucus carota | Daucus carota | Activity | = | 66.1 | ug | 10.1016/j.cropro.2005.06.011 |
NPT4879 | Organism | Daucus carota | Daucus carota | Activity | = | 42.8 | ug | 10.1016/j.cropro.2005.06.011 |
NPT4879 | Organism | Daucus carota | Daucus carota | Activity | = | 28.4 | ug | 10.1016/j.cropro.2005.06.011 |
NPT4879 | Organism | Daucus carota | Daucus carota | Activity | = | 32.2 | ug | 10.1016/j.cropro.2005.06.011 |
NPT4879 | Organism | Daucus carota | Daucus carota | Activity | = | 31.7 | ug | 10.1016/j.cropro.2005.06.011 |
NPT4879 | Organism | Daucus carota | Daucus carota | Activity | = | 26.8 | ug | 10.1016/j.cropro.2005.06.011 |
NPT4879 | Organism | Daucus carota | Daucus carota | GI | = | 64.9 | % | 10.1016/j.cropro.2005.06.011 |
NPT4879 | Organism | Daucus carota | Daucus carota | GI | = | 60.9 | % | 10.1016/j.cropro.2005.06.011 |
NPT4879 | Organism | Daucus carota | Daucus carota | GI | = | 59.6 | % | 10.1016/j.cropro.2005.06.011 |
NPT4879 | Organism | Daucus carota | Daucus carota | GI | = | 62 | % | 10.1016/j.cropro.2005.06.011 |
NPT4879 | Organism | Daucus carota | Daucus carota | GI | = | 83.7 | % | 10.1016/j.cropro.2005.06.011 |
NPT4879 | Organism | Daucus carota | Daucus carota | GI | = | 80.9 | % | 10.1016/j.cropro.2005.06.011 |
NPT4879 | Organism | Daucus carota | Daucus carota | GI | = | 88.2 | % | 10.1016/j.cropro.2005.06.011 |
NPT4879 | Organism | Daucus carota | Daucus carota | GI | = | 84.7 | % | 10.1016/j.cropro.2005.06.011 |
NPT4879 | Organism | Daucus carota | Daucus carota | GI | = | 101.9 | % | 10.1016/j.cropro.2005.06.011 |
NPT4879 | Organism | Daucus carota | Daucus carota | GI | = | 99.6 | % | 10.1016/j.cropro.2005.06.011 |
NPT4879 | Organism | Daucus carota | Daucus carota | GI | = | 95.8 | % | 10.1016/j.cropro.2005.06.011 |
NPT4879 | Organism | Daucus carota | Daucus carota | GI | = | 96.6 | % | 10.1016/j.cropro.2005.06.011 |
NPT32 | Organism | Mus musculus | Mus musculus | Activity | = | 65.64 | % | 10.1007/s00044-008-9127-y |
NPT1854 | Individual Protein | Phosphoglycerate kinase | Trypanosoma brucei brucei (strain 927/4 GUTat10.1) | Potency | 4606.1 | nM | PubChem BioAssay data set | |
NPT73 | Individual Protein | Solute carrier organic anion transporter family member 1B1 | Homo sapiens | Inhibition | = | 86.05 | % | 23571415 |
NPT72 | Individual Protein | Solute carrier organic anion transporter family member 1B3 | Homo sapiens | Inhibition | = | 90.65 | % | 23571415 |
NPT821 | Individual Protein | Werner syndrome ATP-dependent helicase | Homo sapiens | Potency | 4294.3 | nM | PubChem BioAssay data set | |
NPT2 | Others | Unspecified | IC50 | 661.65 | nM | PubChem BioAssay data set | ||
NPT9 | Individual Protein | DNA polymerase eta | Homo sapiens | Potency | 7568.6 | nM | PubChem BioAssay data set | |
NPT2 | Others | Unspecified | Potency | 14125.4 | nM | PubChem BioAssay data set | ||
NPT2 | Others | Unspecified | Potency | 35481.3 | nM | PubChem BioAssay data set | ||
NPT104 | Individual Protein | Cerebroside-sulfatase | Homo sapiens | Potency | 37933 | nM | PubChem BioAssay data set | |
NPT153 | Individual Protein | Androgen Receptor | Homo sapiens | Potency | 6007 | nM | PubChem BioAssay data set | |
NPT49 | Individual Protein | DNA-(apurinic or apyrimidinic site) lyase | Homo sapiens | Potency | 1995.3 | nM | PubChem BioAssay data set | |
NPT58 | Individual Protein | Bloom syndrome protein | Homo sapiens | Potency | 1358 | nM | PubChem BioAssay data set | |
NPT2 | Others | Unspecified | Potency | 7943.3 | nM | PubChem BioAssay data set | ||
NPT2 | Others | Unspecified | Potency | 33491.5 | nM | PubChem BioAssay data set | ||
NPT2 | Others | Unspecified | Potency | 29849.3 | nM | PubChem BioAssay data set | ||
NPT2 | Others | Unspecified | IC50 | 526.11 | nM | PubChem BioAssay data set | ||
NPT803 | Individual Protein | Flap endonuclease 1 | Homo sapiens | Potency | 37933 | nM | PubChem BioAssay data set | |
NPT8 | Individual Protein | DNA polymerase iota | Homo sapiens | Potency | 3358.7 | nM | PubChem BioAssay data set | |
NPT2 | Others | Unspecified | Potency | 5011.9 | nM | PubChem BioAssay data set | ||
NPT2 | Others | Unspecified | Potency | 17782.8 | nM | PubChem BioAssay data set | ||
NPT32 | Organism | Mus musculus | Mus musculus | ED50 | = | 248 | mg/kg | 574901 |
NPT2 | Others | Unspecified | Ratio | = | 4308 | 25791448 | ||
NPT2 | Others | Unspecified | Ratio | = | 0.91 | 25791448 | ||
NPT2 | Others | Unspecified | Ratio | = | 27.4 | 25791448 | ||
NPT2 | Others | Unspecified | Ratio | = | 19.3 | 25791448 | ||
NPT2 | Others | Unspecified | Ratio | = | 1.85 | 25791448 | ||
NPT2 | Others | Unspecified | Ratio | = | 215 | 25791448 | ||
NPT2 | Others | Unspecified | Potency | 6007 | 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 NPC161593 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 | NPC145888 |
1.0 | High Similarity | NPC16031 |
0.9677 | High Similarity | NPC88667 |
0.9431 | High Similarity | NPC321561 |
0.9091 | High Similarity | NPC66518 |
0.9 | High Similarity | NPC281686 |
0.9 | High Similarity | NPC188867 |
0.9 | High Similarity | NPC106551 |
0.8855 | High Similarity | NPC6913 |
0.878 | High Similarity | NPC239697 |
0.8667 | High Similarity | NPC146422 |
0.8571 | High Similarity | NPC27581 |
0.8548 | High Similarity | NPC317784 |
0.8548 | High Similarity | NPC142638 |
0.85 | High Similarity | NPC222084 |
0.8492 | Intermediate Similarity | NPC326079 |
0.8333 | Intermediate Similarity | NPC319950 |
0.8293 | Intermediate Similarity | NPC148969 |
0.8268 | Intermediate Similarity | NPC169207 |
0.8268 | Intermediate Similarity | NPC118522 |
0.8268 | Intermediate Similarity | NPC115627 |
0.8258 | Intermediate Similarity | NPC325651 |
0.8254 | Intermediate Similarity | NPC85276 |
0.816 | Intermediate Similarity | NPC4665 |
0.814 | Intermediate Similarity | NPC142577 |
0.8 | Intermediate Similarity | NPC48909 |
0.7969 | Intermediate Similarity | NPC63126 |
0.7937 | Intermediate Similarity | NPC142599 |
0.7917 | Intermediate Similarity | NPC68055 |
0.7879 | Intermediate Similarity | NPC140359 |
0.7879 | Intermediate Similarity | NPC13020 |
0.7872 | Intermediate Similarity | NPC13696 |
0.7868 | Intermediate Similarity | NPC45191 |
0.7868 | Intermediate Similarity | NPC326966 |
0.7836 | Intermediate Similarity | NPC236347 |
0.7836 | Intermediate Similarity | NPC323775 |
0.7836 | Intermediate Similarity | NPC476353 |
0.7786 | Intermediate Similarity | NPC56634 |
0.7778 | Intermediate Similarity | NPC296712 |
0.7744 | Intermediate Similarity | NPC318777 |
0.773 | Intermediate Similarity | NPC259800 |
0.773 | Intermediate Similarity | NPC318028 |
0.773 | Intermediate Similarity | NPC317741 |
0.773 | Intermediate Similarity | NPC241086 |
0.773 | Intermediate Similarity | NPC282087 |
0.773 | Intermediate Similarity | NPC318984 |
0.773 | Intermediate Similarity | NPC328137 |
0.7727 | Intermediate Similarity | NPC472271 |
0.7727 | Intermediate Similarity | NPC177291 |
0.7727 | Intermediate Similarity | NPC322332 |
0.7727 | Intermediate Similarity | NPC194416 |
0.7724 | Intermediate Similarity | NPC1075 |
0.7724 | Intermediate Similarity | NPC1786 |
0.7724 | Intermediate Similarity | NPC294902 |
0.7721 | Intermediate Similarity | NPC478147 |
0.7681 | Intermediate Similarity | NPC33338 |
0.7681 | Intermediate Similarity | NPC244866 |
0.7681 | Intermediate Similarity | NPC300020 |
0.7681 | Intermediate Similarity | NPC302171 |
0.7674 | Intermediate Similarity | NPC299252 |
0.7674 | Intermediate Similarity | NPC61062 |
0.7674 | Intermediate Similarity | NPC277394 |
0.7667 | Intermediate Similarity | NPC245561 |
0.7667 | Intermediate Similarity | NPC125732 |
0.766 | Intermediate Similarity | NPC48202 |
0.7634 | Intermediate Similarity | NPC268572 |
0.763 | Intermediate Similarity | NPC318965 |
0.7609 | Intermediate Similarity | NPC326599 |
0.7609 | Intermediate Similarity | NPC329595 |
0.7606 | Intermediate Similarity | NPC197239 |
0.7606 | Intermediate Similarity | NPC326860 |
0.7603 | Intermediate Similarity | NPC52472 |
0.7594 | Intermediate Similarity | NPC474862 |
0.7583 | Intermediate Similarity | NPC109955 |
0.7582 | Intermediate Similarity | NPC158900 |
0.7578 | Intermediate Similarity | NPC309808 |
0.7578 | Intermediate Similarity | NPC264558 |
0.7557 | Intermediate Similarity | NPC122009 |
0.7556 | Intermediate Similarity | NPC288945 |
0.7556 | Intermediate Similarity | NPC85565 |
0.7556 | Intermediate Similarity | NPC471927 |
0.7552 | Intermediate Similarity | NPC323123 |
0.754 | Intermediate Similarity | NPC290566 |
0.754 | Intermediate Similarity | NPC326187 |
0.754 | Intermediate Similarity | NPC145638 |
0.7519 | Intermediate Similarity | NPC284078 |
0.75 | Intermediate Similarity | NPC324569 |
0.75 | Intermediate Similarity | NPC13495 |
0.75 | Intermediate Similarity | NPC10781 |
0.75 | Intermediate Similarity | NPC156654 |
0.75 | Intermediate Similarity | NPC293628 |
0.75 | Intermediate Similarity | NPC280767 |
0.75 | Intermediate Similarity | NPC122493 |
0.7483 | Intermediate Similarity | NPC219233 |
0.7483 | Intermediate Similarity | NPC170170 |
0.7483 | Intermediate Similarity | NPC211468 |
0.7481 | Intermediate Similarity | NPC283468 |
0.7481 | Intermediate Similarity | NPC150919 |
0.7466 | Intermediate Similarity | NPC125852 |
0.7444 | Intermediate Similarity | NPC265454 |
0.7444 | Intermediate Similarity | NPC34634 |
0.744 | Intermediate Similarity | NPC317592 |
0.7424 | Intermediate Similarity | NPC205502 |
0.7422 | Intermediate Similarity | NPC163674 |
0.7422 | Intermediate Similarity | NPC226250 |
0.7419 | Intermediate Similarity | NPC52087 |
0.7419 | Intermediate Similarity | NPC471511 |
0.7415 | Intermediate Similarity | NPC17760 |
0.7398 | Intermediate Similarity | NPC110764 |
0.7394 | Intermediate Similarity | NPC6570 |
0.7391 | Intermediate Similarity | NPC281020 |
0.7388 | Intermediate Similarity | NPC236520 |
0.7388 | Intermediate Similarity | NPC294361 |
0.7388 | Intermediate Similarity | NPC98305 |
0.7385 | Intermediate Similarity | NPC221870 |
0.7383 | Intermediate Similarity | NPC241392 |
0.7368 | Intermediate Similarity | NPC283760 |
0.7368 | Intermediate Similarity | NPC299406 |
0.7364 | Intermediate Similarity | NPC48525 |
0.7364 | Intermediate Similarity | NPC131530 |
0.7348 | Intermediate Similarity | NPC200988 |
0.7348 | Intermediate Similarity | NPC610 |
0.7348 | Intermediate Similarity | NPC175799 |
0.7348 | Intermediate Similarity | NPC278652 |
0.7348 | Intermediate Similarity | NPC137096 |
0.7348 | Intermediate Similarity | NPC120075 |
0.7348 | Intermediate Similarity | NPC145023 |
0.7339 | Intermediate Similarity | NPC196479 |
0.7338 | Intermediate Similarity | NPC271808 |
0.7317 | Intermediate Similarity | NPC223393 |
0.7317 | Intermediate Similarity | NPC29601 |
0.7308 | Intermediate Similarity | NPC95381 |
0.7305 | Intermediate Similarity | NPC470392 |
0.7295 | Intermediate Similarity | NPC260000 |
0.7293 | Intermediate Similarity | NPC203124 |
0.7293 | Intermediate Similarity | NPC309434 |
0.7293 | Intermediate Similarity | NPC86198 |
0.7292 | Intermediate Similarity | NPC238412 |
0.7287 | Intermediate Similarity | NPC280382 |
0.7287 | Intermediate Similarity | NPC297657 |
0.7286 | Intermediate Similarity | NPC241354 |
0.728 | Intermediate Similarity | NPC12278 |
0.728 | Intermediate Similarity | NPC79672 |
0.728 | Intermediate Similarity | NPC120719 |
0.7279 | Intermediate Similarity | NPC86900 |
0.7273 | Intermediate Similarity | NPC107522 |
0.7266 | Intermediate Similarity | NPC71266 |
0.7266 | Intermediate Similarity | NPC158654 |
0.7252 | Intermediate Similarity | NPC217472 |
0.7252 | Intermediate Similarity | NPC328593 |
0.7252 | Intermediate Similarity | NPC33749 |
0.7252 | Intermediate Similarity | NPC261453 |
0.7239 | Intermediate Similarity | NPC141791 |
0.7239 | Intermediate Similarity | NPC109371 |
0.7239 | Intermediate Similarity | NPC263386 |
0.7239 | Intermediate Similarity | NPC470214 |
0.7239 | Intermediate Similarity | NPC470215 |
0.7239 | Intermediate Similarity | NPC70084 |
0.7236 | Intermediate Similarity | NPC280869 |
0.7236 | Intermediate Similarity | NPC131587 |
0.7231 | Intermediate Similarity | NPC51698 |
0.7226 | Intermediate Similarity | NPC163083 |
0.7222 | Intermediate Similarity | NPC239291 |
0.7206 | Intermediate Similarity | NPC201777 |
0.7206 | Intermediate Similarity | NPC211992 |
0.72 | Intermediate Similarity | NPC13426 |
0.7197 | Intermediate Similarity | NPC474967 |
0.7197 | Intermediate Similarity | NPC213 |
0.7197 | Intermediate Similarity | NPC233669 |
0.7197 | Intermediate Similarity | NPC10286 |
0.7192 | Intermediate Similarity | NPC91953 |
0.7188 | Intermediate Similarity | NPC31274 |
0.7185 | Intermediate Similarity | NPC260837 |
0.7183 | Intermediate Similarity | NPC208757 |
0.7183 | Intermediate Similarity | NPC318799 |
0.7183 | Intermediate Similarity | NPC198388 |
0.7172 | Intermediate Similarity | NPC471283 |
0.7165 | Intermediate Similarity | NPC19149 |
0.7165 | Intermediate Similarity | NPC477814 |
0.7164 | Intermediate Similarity | NPC104514 |
0.7164 | Intermediate Similarity | NPC275519 |
0.7163 | Intermediate Similarity | NPC94810 |
0.7163 | Intermediate Similarity | NPC226855 |
0.7154 | Intermediate Similarity | NPC21890 |
0.7153 | Intermediate Similarity | NPC109580 |
0.7153 | Intermediate Similarity | NPC114298 |
0.7153 | Intermediate Similarity | NPC225710 |
0.7143 | Intermediate Similarity | NPC153990 |
0.7143 | Intermediate Similarity | NPC281277 |
0.7133 | Intermediate Similarity | NPC18074 |
0.7133 | Intermediate Similarity | NPC5419 |
0.7133 | Intermediate Similarity | NPC25581 |
0.7133 | Intermediate Similarity | NPC61 |
0.7133 | Intermediate Similarity | NPC243404 |
0.7132 | Intermediate Similarity | NPC254833 |
0.7132 | Intermediate Similarity | NPC470849 |
0.7132 | Intermediate Similarity | NPC470848 |
0.7132 | Intermediate Similarity | NPC228343 |
0.7123 | Intermediate Similarity | NPC197921 |
0.7122 | Intermediate Similarity | NPC257589 |
Similarity level is defined by Tanimoto coefficient (Tc) between two molecules.
●  The left chart: Distribution of similarity level between NPC161593 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 | NPD9569 | Approved |
0.9677 | High Similarity | NPD259 | Phase 1 |
0.9675 | High Similarity | NPD9537 | Phase 1 |
0.9675 | High Similarity | NPD9536 | Phase 1 |
0.9524 | High Similarity | NPD555 | Phase 2 |
0.9431 | High Similarity | NPD258 | Approved |
0.9431 | High Similarity | NPD257 | Approved |
0.9231 | High Similarity | NPD9570 | Approved |
0.9 | High Similarity | NPD9568 | Approved |
0.8992 | High Similarity | NPD825 | Approved |
0.8992 | High Similarity | NPD826 | Approved |
0.8923 | High Similarity | NPD275 | Approved |
0.8923 | High Similarity | NPD274 | Approved |
0.8667 | High Similarity | NPD9377 | Approved |
0.8667 | High Similarity | NPD9379 | Approved |
0.8455 | Intermediate Similarity | NPD255 | Approved |
0.8455 | Intermediate Similarity | NPD256 | Approved |
0.8451 | Intermediate Similarity | NPD3455 | Phase 2 |
0.8438 | Intermediate Similarity | NPD9622 | Approved |
0.8268 | Intermediate Similarity | NPD9381 | Approved |
0.8268 | Intermediate Similarity | NPD9384 | Approved |
0.8092 | Intermediate Similarity | NPD196 | Phase 1 |
0.803 | Intermediate Similarity | NPD3053 | Approved |
0.803 | Intermediate Similarity | NPD3055 | Approved |
0.7955 | Intermediate Similarity | NPD9634 | Clinical (unspecified phase) |
0.7941 | Intermediate Similarity | NPD1136 | Approved |
0.7941 | Intermediate Similarity | NPD1130 | Approved |
0.7941 | Intermediate Similarity | NPD1132 | Approved |
0.7937 | Intermediate Similarity | NPD9614 | Approved |
0.7937 | Intermediate Similarity | NPD9618 | Approved |
0.7926 | Intermediate Similarity | NPD3136 | Phase 2 |
0.7868 | Intermediate Similarity | NPD601 | Approved |
0.7868 | Intermediate Similarity | NPD598 | Approved |
0.7868 | Intermediate Similarity | NPD597 | Approved |
0.7851 | Intermediate Similarity | NPD9610 | Approved |
0.7851 | Intermediate Similarity | NPD9608 | Approved |
0.7836 | Intermediate Similarity | NPD9620 | Approved |
0.7836 | Intermediate Similarity | NPD9621 | Approved |
0.7836 | Intermediate Similarity | NPD9619 | Approved |
0.782 | Intermediate Similarity | NPD5310 | Approved |
0.782 | Intermediate Similarity | NPD5311 | Approved |
0.7794 | Intermediate Similarity | NPD9718 | Approved |
0.777 | Intermediate Similarity | NPD823 | Approved |
0.777 | Intermediate Similarity | NPD817 | Approved |
0.773 | Intermediate Similarity | NPD1538 | Phase 1 |
0.773 | Intermediate Similarity | NPD1537 | Approved |
0.773 | Intermediate Similarity | NPD1519 | Approved |
0.7626 | Intermediate Similarity | NPD3062 | Approved |
0.7626 | Intermediate Similarity | NPD3059 | Approved |
0.7626 | Intermediate Similarity | NPD3061 | Approved |
0.7606 | Intermediate Similarity | NPD1523 | Approved |
0.7606 | Intermediate Similarity | NPD1522 | Approved |
0.7589 | Intermediate Similarity | NPD1536 | Approved |
0.754 | Intermediate Similarity | NPD9380 | Clinical (unspecified phase) |
0.7518 | Intermediate Similarity | NPD5314 | Approved |
0.75 | Intermediate Similarity | NPD9566 | Approved |
0.7483 | Intermediate Similarity | NPD6682 | Clinical (unspecified phase) |
0.7482 | Intermediate Similarity | NPD2028 | Clinical (unspecified phase) |
0.7465 | Intermediate Similarity | NPD1520 | Approved |
0.7465 | Intermediate Similarity | NPD1521 | Approved |
0.7464 | Intermediate Similarity | NPD2614 | Approved |
0.7452 | Intermediate Similarity | NPD5137 | Approved |
0.7424 | Intermediate Similarity | NPD1759 | Phase 1 |
0.7413 | Intermediate Similarity | NPD6867 | Clinical (unspecified phase) |
0.7413 | Intermediate Similarity | NPD6866 | Clinical (unspecified phase) |
0.7361 | Intermediate Similarity | NPD7450 | Phase 2 |
0.7348 | Intermediate Similarity | NPD9615 | Approved |
0.7348 | Intermediate Similarity | NPD9613 | Approved |
0.7348 | Intermediate Similarity | NPD317 | Approved |
0.7348 | Intermediate Similarity | NPD318 | Approved |
0.7348 | Intermediate Similarity | NPD1758 | Phase 1 |
0.7348 | Intermediate Similarity | NPD9616 | Approved |
0.7333 | Intermediate Similarity | NPD7523 | Phase 3 |
0.731 | Intermediate Similarity | NPD7978 | Discontinued |
0.7293 | Intermediate Similarity | NPD316 | Approved |
0.7273 | Intermediate Similarity | NPD2653 | Approved |
0.7241 | Intermediate Similarity | NPD1632 | Clinical (unspecified phase) |
0.723 | Intermediate Similarity | NPD302 | Approved |
0.7194 | Intermediate Similarity | NPD2195 | Approved |
0.7194 | Intermediate Similarity | NPD2194 | Approved |
0.7192 | Intermediate Similarity | NPD2029 | Clinical (unspecified phase) |
0.7183 | Intermediate Similarity | NPD5729 | Clinical (unspecified phase) |
0.7181 | Intermediate Similarity | NPD2422 | Clinical (unspecified phase) |
0.7181 | Intermediate Similarity | NPD3845 | Phase 1 |
0.7171 | Intermediate Similarity | NPD3687 | Approved |
0.7171 | Intermediate Similarity | NPD3686 | Approved |
0.7162 | Intermediate Similarity | NPD3400 | Discontinued |
0.7153 | Intermediate Similarity | NPD9269 | Phase 2 |
0.7132 | Intermediate Similarity | NPD3021 | Approved |
0.7132 | Intermediate Similarity | NPD3022 | Approved |
0.7123 | Intermediate Similarity | NPD2239 | Approved |
0.7123 | Intermediate Similarity | NPD2240 | Approved |
0.7101 | Intermediate Similarity | NPD182 | Clinical (unspecified phase) |
0.7097 | Intermediate Similarity | NPD7495 | Discontinued |
0.7097 | Intermediate Similarity | NPD8019 | Approved |
0.7095 | Intermediate Similarity | NPD2976 | Clinical (unspecified phase) |
0.709 | Intermediate Similarity | NPD16 | Approved |
0.709 | Intermediate Similarity | NPD856 | Approved |
0.7077 | Intermediate Similarity | NPD9280 | Clinical (unspecified phase) |
0.7073 | Intermediate Similarity | NPD6297 | Approved |
0.7063 | Intermediate Similarity | NPD554 | Clinical (unspecified phase) |
0.7051 | Intermediate Similarity | NPD2977 | Approved |
0.7051 | Intermediate Similarity | NPD2978 | Approved |
0.7039 | Intermediate Similarity | NPD3647 | Clinical (unspecified phase) |
0.7034 | Intermediate Similarity | NPD2568 | Approved |
0.7029 | Intermediate Similarity | NPD2337 | Clinical (unspecified phase) |
0.7029 | Intermediate Similarity | NPD2561 | Approved |
0.7029 | Intermediate Similarity | NPD2562 | Approved |
0.7023 | Intermediate Similarity | NPD9508 | Approved |
0.698 | Remote Similarity | NPD3060 | Approved |
0.6978 | Remote Similarity | NPD1755 | Approved |
0.6972 | Remote Similarity | NPD600 | Approved |
0.6972 | Remote Similarity | NPD596 | Approved |
0.695 | Remote Similarity | NPD602 | Approved |
0.695 | Remote Similarity | NPD7451 | Discontinued |
0.695 | Remote Similarity | NPD599 | Approved |
0.6944 | Remote Similarity | NPD2674 | Phase 3 |
0.6905 | Remote Similarity | NPD6851 | Approved |
0.6905 | Remote Similarity | NPD6853 | Approved |
0.6899 | Remote Similarity | NPD1445 | Approved |
0.6899 | Remote Similarity | NPD1444 | Approved |
0.6894 | Remote Similarity | NPD228 | Approved |
0.688 | Remote Similarity | NPD253 | Approved |
0.688 | Remote Similarity | NPD9611 | Approved |
0.688 | Remote Similarity | NPD9609 | Approved |
0.688 | Remote Similarity | NPD9612 | Approved |
0.6879 | Remote Similarity | NPD5355 | Approved |
0.6879 | Remote Similarity | NPD5356 | Approved |
0.6863 | Remote Similarity | NPD4160 | Clinical (unspecified phase) |
0.6863 | Remote Similarity | NPD3645 | Discontinued |
0.6863 | Remote Similarity | NPD3536 | Discontinued |
0.6861 | Remote Similarity | NPD9268 | Approved |
0.6849 | Remote Similarity | NPD230 | Phase 1 |
0.6846 | Remote Similarity | NPD9265 | Clinical (unspecified phase) |
0.6831 | Remote Similarity | NPD859 | Approved |
0.6831 | Remote Similarity | NPD858 | Approved |
0.6826 | Remote Similarity | NPD7038 | Approved |
0.6826 | Remote Similarity | NPD7039 | Approved |
0.6791 | Remote Similarity | NPD2229 | Approved |
0.6791 | Remote Similarity | NPD2234 | Approved |
0.6791 | Remote Similarity | NPD2228 | Approved |
0.6788 | Remote Similarity | NPD2217 | Approved |
0.6788 | Remote Similarity | NPD2218 | Phase 2 |
0.6781 | Remote Similarity | NPD943 | Approved |
0.6761 | Remote Similarity | NPD1134 | Approved |
0.6761 | Remote Similarity | NPD1129 | Approved |
0.6761 | Remote Similarity | NPD1133 | Approved |
0.6761 | Remote Similarity | NPD1135 | Approved |
0.6761 | Remote Similarity | NPD1131 | Approved |
0.6759 | Remote Similarity | NPD3144 | Approved |
0.6759 | Remote Similarity | NPD3145 | Approved |
0.6755 | Remote Similarity | NPD4162 | Approved |
0.6742 | Remote Similarity | NPD1792 | Phase 2 |
0.6741 | Remote Similarity | NPD1793 | Approved |
0.6741 | Remote Similarity | NPD1791 | Approved |
0.6713 | Remote Similarity | NPD558 | Phase 2 |
0.6711 | Remote Similarity | NPD8166 | Discontinued |
0.671 | Remote Similarity | NPD7527 | Clinical (unspecified phase) |
0.671 | Remote Similarity | NPD7526 | Approved |
0.671 | Remote Similarity | NPD52 | Approved |
0.6692 | Remote Similarity | NPD1040 | Phase 2 |
0.6691 | Remote Similarity | NPD1348 | Approved |
0.6689 | Remote Similarity | NPD7153 | Discontinued |
0.6689 | Remote Similarity | NPD7596 | Clinical (unspecified phase) |
0.6688 | Remote Similarity | NPD2421 | Approved |
0.6688 | Remote Similarity | NPD2420 | Approved |
0.6688 | Remote Similarity | NPD824 | Approved |
0.6687 | Remote Similarity | NPD6107 | Approved |
0.6686 | Remote Similarity | NPD3936 | Clinical (unspecified phase) |
0.6667 | Remote Similarity | NPD2226 | Clinical (unspecified phase) |
0.6667 | Remote Similarity | NPD8303 | Discontinued |
0.6667 | Remote Similarity | NPD6346 | Approved |
0.6667 | Remote Similarity | NPD9494 | Approved |
0.6646 | Remote Similarity | NPD3684 | Discontinued |
0.6645 | Remote Similarity | NPD5348 | Clinical (unspecified phase) |
0.6645 | Remote Similarity | NPD4739 | Approved |
0.6626 | Remote Similarity | NPD4666 | Phase 3 |
0.6624 | Remote Similarity | NPD1973 | Approved |
0.6624 | Remote Similarity | NPD1972 | Approved |
0.6624 | Remote Similarity | NPD1969 | Clinical (unspecified phase) |
0.662 | Remote Similarity | NPD4379 | Clinical (unspecified phase) |
0.6619 | Remote Similarity | NPD4093 | Discontinued |
0.6618 | Remote Similarity | NPD747 | Discontinued |
0.6615 | Remote Similarity | NPD10 | Approved |
0.6615 | Remote Similarity | NPD311 | Approved |
0.6615 | Remote Similarity | NPD314 | Approved |
0.6615 | Remote Similarity | NPD310 | Approved |
0.6615 | Remote Similarity | NPD309 | Approved |
0.6615 | Remote Similarity | NPD315 | Approved |
0.6614 | Remote Similarity | NPD9495 | Approved |
0.6605 | Remote Similarity | NPD2098 | Approved |
0.6604 | Remote Similarity | NPD6386 | Approved |
0.6604 | Remote Similarity | NPD6385 | Approved |
0.6604 | Remote Similarity | NPD6677 | Suspended |
0.6604 | Remote Similarity | NPD7118 | Clinical (unspecified phase) |
0.6603 | Remote Similarity | NPD6390 | Discontinued |
0.6601 | Remote Similarity | NPD4110 | Phase 3 |
0.6601 | Remote Similarity | NPD4109 | Clinical (unspecified phase) |
0.66 | Remote Similarity | NPD651 | Clinical (unspecified phase) |
0.6599 | Remote Similarity | NPD6405 | Approved |
PubChem CID   | 6971033;6047 |
ChEMBL   | CHEMBL1009 |
ZINC   |
Molecular Weight:   | 197.07 |
ALogP:   | -2.005 |
MLogP:   | 1.9 |
XLogP:   | -2.111 |
# Rotatable Bonds:   | 7 |
Polar Surface Area:   | 103.78 |
# H-Bond Aceptor:   | 3 |
# H-Bond Donor:   | 4 |
# Rings:   | 1 |
# Heavy Atoms:   | 14 |