Natural Product: NPC161593

Natural Product ID:  NPC161593
Common Name:   Levodopa
IUPAC Name:   (2S)-2-azaniumyl-3-(3,4-dihydroxyphenyl)propanoate
Synonyms:   Bendopa; Brocadopa; Dopar; Larodopa; Levodopa
Molecular Formula:   C9H11NO4
Standard InCHIKey:  WTDRDQBEARUVNC-LURJTMIESA-N
Standard InCHI:  InChI=1S/C9H11NO4/c10-6(9(13)14)3-5-1-2-7(11)8(12)4-5/h1-2,4,6,11-12H,3,10H2,(H,13,14)/t6-/m0/s1
Canonical SMILES:  OC(=O)[C@H](Cc1ccc(c(c1)O)O)N
First Find Year:  
Max Developmental Stage:  
Synthetic Gene Cluster:   ;

  Species Source

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*

  Biological Activity

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

  Similar Natural Products in NPASS

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

  Similar Clinical/Approved Drugs

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

Structure

External Identifiers

PubChem CID   6971033;6047
ChEMBL   CHEMBL1009
ZINC  

Physicochemical Properties

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

Download Data

Data Type Select
General Info & Identifiers & Properties  
Structure MOL file  
Source Organisms  
Biological Activities  
Similar NPs/Drugs