Natural Product: NPC282087

Natural Product ID:  NPC282087
Common Name:   Liothyronine
IUPAC Name:   (2S)-2-azaniumyl-3-[4-(4-hydroxy-3-iodophenoxy)-3,5-diiodophenyl]propanoate
Synonyms:   Cytomel; Euthroid-0.5; Euthroid-1; Euthroid-2; Euthroid-3; Liothyronine; Rathyronine; T3 (Liotrix); Tertroxin; Thyrolar-0.25; Thyrolar-0.5; Thyrolar-1; Thyrolar-2; Thyrolar-3; Thyrolar-5; Triiodothyronine (T3 Or Liothyronine, Active) (6-11%); Triostat
Molecular Formula:   C15H12I3NO4
Standard InCHIKey:  AUYYCJSJGJYCDS-LBPRGKRZSA-N
Standard InCHI:  InChI=1S/C15H12I3NO4/c16-9-6-8(1-2-13(9)20)23-14-10(17)3-7(4-11(14)18)5-12(19)15(21)22/h1-4,6,12,20H,5,19H2,(H,21,22)/t12-/m0/s1
Canonical SMILES:  OC(=O)[C@H](Cc1cc(I)c(c(c1)I)Oc1ccc(c(c1)I)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
NPO12323 Bos taurus Species Bovidae Eukaryota HerDing*
NPO1797 Homo sapiens Species Hominidae Eukaryota DOI[10.1038/nbt.2488]
NPO1797 Homo sapiens Species Hominidae Eukaryota urine PMID[7256725]
NPO1797 Homo sapiens Species Hominidae Eukaryota saliva PMID[15179829]
NPO1797 Homo sapiens Species Hominidae Eukaryota blood PMID[10731506]
NPO20338 Mus musculus Species Muridae Eukaryota PMID[19425150]
NPO12323 Bos taurus Species Bovidae Eukaryota TCMID*
NPO17393 Bubalus bubalis Species Bovidae Eukaryota TCMID*

  Biological Activity

Target ID Target Type Target Name Target Organism Activity Type Activity Relation Value Unit Reference
NPT46 Individual Protein Thyroid hormone receptor beta-1 Homo sapiens Kd = 0.1 nM 12109914
NPT5682 Individual Protein Thyroid hormone receptor alpha Homo sapiens Kd = 0.1 nM 12109914
NPT46 Individual Protein Thyroid hormone receptor beta-1 Homo sapiens EC50 = 2 nM 12109914
NPT5682 Individual Protein Thyroid hormone receptor alpha Homo sapiens EC50 = 2 nM 12109914
NPT5683 Individual Protein Thyroid hormone receptor beta-1 Rattus norvegicus IC50 = 4.4 nM 7861417
NPT5683 Individual Protein Thyroid hormone receptor beta-1 Rattus norvegicus IC50 = 500 nM 7861417
NPT5683 Individual Protein Thyroid hormone receptor beta-1 Rattus norvegicus IC50 = 1.8 nM 7861417
NPT5683 Individual Protein Thyroid hormone receptor beta-1 Rattus norvegicus IC50 = 100 nM 7861417
NPT29 Organism Rattus norvegicus Rattus norvegicus ED50 = 0.1 mg/kg 7861417
NPT4323 Individual Protein Transthyretin Rattus norvegicus Ratio = 0.05 3100800
NPT5121 Protein Complex Thyroid hormone receptor Homo sapiens Ratio = 0.01 3100800
NPT805 Protein Complex GABA-A receptor; anion channel Rattus norvegicus EC50 = 7000 nM 10780899
NPT996 Protein Complex GABA-A receptor; anion channel Homo sapiens IC50 = 23000 nM 10780899
NPT2 Others Unspecified Activity = 100 % 7381861
NPT5122 Individual Protein Thyroxine-binding globulin Homo sapiens Activity = 9 % 7381861
NPT5682 Individual Protein Thyroid hormone receptor alpha Homo sapiens Kd = 0.17 nM 11597408
NPT46 Individual Protein Thyroid hormone receptor beta-1 Homo sapiens Kd = 0.14 nM 11597408
NPT2 Others Unspecified Ki = 1.56 nM 1738147
NPT29 Organism Rattus norvegicus Rattus norvegicus Activity = 251 1738147
NPT29 Organism Rattus norvegicus Rattus norvegicus Activity = 138 1738147
NPT29 Organism Rattus norvegicus Rattus norvegicus Activity = 101 1738147
NPT2 Others Unspecified IC50 = 1.1 nM 10937719
NPT46 Individual Protein Thyroid hormone receptor beta-1 Homo sapiens Ki = 0.08 nM 12565933
NPT5121 Protein Complex Thyroid hormone receptor Homo sapiens Ratio = 0.8 12565933
NPT46 Individual Protein Thyroid hormone receptor beta-1 Homo sapiens EC50 = 2 nM 12565933
NPT5682 Individual Protein Thyroid hormone receptor alpha Homo sapiens EC50 = 2 nM 12565933
NPT5682 Individual Protein Thyroid hormone receptor alpha Homo sapiens Kd = 0.06 nM 12825953
NPT46 Individual Protein Thyroid hormone receptor beta-1 Homo sapiens Kd = 0.087 nM 12825953
NPT5682 Individual Protein Thyroid hormone receptor alpha Homo sapiens IC50 = 0.24 nM 16099653
NPT46 Individual Protein Thyroid hormone receptor beta-1 Homo sapiens IC50 = 0.26 nM 16099653
NPT29 Organism Rattus norvegicus Rattus norvegicus ED15 = 31 nmol/kg/day 17543524
NPT5682 Individual Protein Thyroid hormone receptor alpha Homo sapiens IC50 = 0.24 nM 17543524
NPT46 Individual Protein Thyroid hormone receptor beta-1 Homo sapiens IC50 = 0.26 nM 17543524
NPT2 Others Unspecified Ratio IC50 = 0.54 17543524
NPT29 Organism Rattus norvegicus Rattus norvegicus ED50 = 21 nmol/kg/day 17543524
NPT29 Organism Rattus norvegicus Rattus norvegicus Ratio = 1.5 17543524
NPT29 Organism Rattus norvegicus Rattus norvegicus ED30 = 6.7 nmol/kg/day 17543524
NPT29 Organism Rattus norvegicus Rattus norvegicus Ratio = 0.3 17543524
NPT46 Individual Protein Thyroid hormone receptor beta-1 Homo sapiens IC50 = 0.257 nM 17524652
NPT5682 Individual Protein Thyroid hormone receptor alpha Homo sapiens Kd = 0.058 nM 17988877
NPT46 Individual Protein Thyroid hormone receptor beta-1 Homo sapiens Kd = 0.081 nM 17988877
NPT5682 Individual Protein Thyroid hormone receptor alpha Homo sapiens EC50 = 2.4 nM 17988877
NPT46 Individual Protein Thyroid hormone receptor beta-1 Homo sapiens EC50 = 11 nM 17988877
NPT46 Individual Protein Thyroid hormone receptor beta-1 Homo sapiens EC50 = 2.4 nM 17988877
NPT153 Individual Protein Androgen Receptor Homo sapiens Inhibition = 24 % 17911242
NPT29 Organism Rattus norvegicus Rattus norvegicus FC = 6.644 17878314
NPT29 Organism Rattus norvegicus Rattus norvegicus Activity = 0.001365 17878314
NPT5682 Individual Protein Thyroid hormone receptor alpha Homo sapiens Ki = 0.22 nM 17878314
NPT46 Individual Protein Thyroid hormone receptor beta-1 Homo sapiens Ki = 0.55 nM 17878314
NPT2 Others Unspecified Ratio Ki = 0.4 17878314
NPT29 Organism Rattus norvegicus Rattus norvegicus ED50 = 0.012 mg/kg 17878314
NPT29 Organism Rattus norvegicus Rattus norvegicus Activity = 0.14 17878314
NPT29 Organism Rattus norvegicus Rattus norvegicus Activity = 0.0139 17878314
NPT29 Organism Rattus norvegicus Rattus norvegicus Activity = 0.49 ug/ml 17878314
NPT29 Organism Rattus norvegicus Rattus norvegicus Activity = 37.3 ug/ml 17878314
NPT29 Organism Rattus norvegicus Rattus norvegicus Activity = 0.57 17878314
NPT29 Organism Rattus norvegicus Rattus norvegicus Activity = 0.93 17878314
NPT29 Organism Rattus norvegicus Rattus norvegicus Activity = 0.42 ug/ml 17878314
NPT29 Organism Rattus norvegicus Rattus norvegicus Activity = 4.2 ug/ml 17878314
NPT29 Organism Rattus norvegicus Rattus norvegicus Activity = 4.06 ug/ml 17878314
NPT29 Organism Rattus norvegicus Rattus norvegicus Activity = 1.43 ug/ml 17878314
NPT29 Organism Rattus norvegicus Rattus norvegicus Activity = 0.0031 17878314
NPT29 Organism Rattus norvegicus Rattus norvegicus Activity = 0.0978 17878314
NPT29 Organism Rattus norvegicus Rattus norvegicus Activity = 16.45 ug/ml 17878314
NPT29 Organism Rattus norvegicus Rattus norvegicus Activity = 8.4 ug/ml 17878314
NPT29 Organism Rattus norvegicus Rattus norvegicus Activity = 0.081 17878314
NPT29 Organism Rattus norvegicus Rattus norvegicus Activity = 4.3 ug 17878314
NPT29 Organism Rattus norvegicus Rattus norvegicus Activity = 16.2 % 17878314
NPT29 Organism Rattus norvegicus Rattus norvegicus Activity = 25 mg/dl 17878314
NPT29 Organism Rattus norvegicus Rattus norvegicus Activity = 0.937 nM 17878314
NPT29 Organism Rattus norvegicus Rattus norvegicus Activity = 0.334 ug/ml 17878314
NPT32 Organism Mus musculus Mus musculus FC = 2.04 17878314
NPT32 Organism Mus musculus Mus musculus FC = 1.39 17878314
NPT32 Organism Mus musculus Mus musculus Activity = -42.4 % 17878314
NPT32 Organism Mus musculus Mus musculus Activity = 9.5 % 17878314
NPT5682 Individual Protein Thyroid hormone receptor alpha Homo sapiens Ki = 0.33 nM 18975928
NPT46 Individual Protein Thyroid hormone receptor beta-1 Homo sapiens Ki = 0.68 nM 18975928
NPT29 Organism Rattus norvegicus Rattus norvegicus Activity = 7.52 U/min 18975928
NPT29 Organism Rattus norvegicus Rattus norvegicus Activity = 4.18 U/min 18975928
NPT1416 Individual Protein Neuropeptide S receptor Homo sapiens Potency = 794.3 nM PubChem BioAssay data set
NPT483 Individual Protein Prelamin-A/C Homo sapiens Potency = 2818.4 nM PubChem BioAssay data set
NPT197 Protein-Protein Interaction Menin/Histone-lysine N-methyltransferase MLL Homo sapiens Potency = 7943.3 nM PubChem BioAssay data set
NPT197 Protein-Protein Interaction Menin/Histone-lysine N-methyltransferase MLL Homo sapiens Potency = 39810.7 nM PubChem BioAssay data set
NPT2 Others Unspecified IC50 = 0.38 nM 20875743
NPT61 Individual Protein Beta-glucocerebrosidase Homo sapiens Potency 56234.1 nM PubChem BioAssay data set
NPT2 Others Unspecified Potency 1636 nM PubChem BioAssay data set
NPT2 Others Unspecified Potency 8199.5 nM PubChem BioAssay data set
NPT46 Individual Protein Thyroid hormone receptor beta-1 Homo sapiens Potency 7943.3 nM PubChem BioAssay data set
NPT135 Individual Protein Chromobox protein homolog 1 Homo sapiens Potency 79432.8 nM PubChem BioAssay data set
NPT6 Organism Plasmodium falciparum Plasmodium falciparum Potency 19011.5 nM PubChem BioAssay data set
NPT540 Individual Protein Bile acid receptor FXR Homo sapiens Potency 14125.4 nM PubChem BioAssay data set
NPT108 Individual Protein Estrogen receptor alpha Homo sapiens Potency 891.3 nM PubChem BioAssay data set
NPT6 Organism Plasmodium falciparum Plasmodium falciparum Potency 13459.1 nM PubChem BioAssay data set
NPT444 Individual Protein Ubiquitin carboxyl-terminal hydrolase 1 Homo sapiens Potency 50118.7 nM PubChem BioAssay data set
NPT901 Individual Protein UDP-glucuronosyltransferase 1-1 Homo sapiens Activity = 0 pm/min/mg 10836148
NPT703 Individual Protein UDP-glucuronosyltransferase 1-9 Homo sapiens Activity = 100 pm/min/mg 10836148
NPT702 Individual Protein UDP-glucuronosyltransferase 1-6 Homo sapiens Activity = 0 pm/min/mg 10836148
NPT703 Individual Protein UDP-glucuronosyltransferase 1-9 Homo sapiens Activity = 0 pm/min/mg 10836148
NPT902 Individual Protein UDP-glucuronosyltransferase 1A4 Homo sapiens Activity = 0 pm/min/mg 10836148
NPT704 Individual Protein UDP-glucuronosyltransferase 2B15 Homo sapiens Activity = 0 pm/min/mg 10836148
NPT216 Individual Protein Adenosine A1 receptor Homo sapiens IC50 = 410.9 nM DrugMatrix in vitro pharmacology data
NPT216 Individual Protein Adenosine A1 receptor Homo sapiens Ki = 239.7 nM DrugMatrix in vitro pharmacology data
NPT153 Individual Protein Androgen Receptor Homo sapiens IC50 > 50000 nM 22047606
NPT445 Individual Protein Peripheral myelin protein 22 Rattus norvegicus Potency 11423.9 nM PubChem BioAssay data set
NPT46 Individual Protein Thyroid hormone receptor beta-1 Homo sapiens Ki = 2.29 nM 22542282
NPT5682 Individual Protein Thyroid hormone receptor alpha Homo sapiens Ki = 2.33 nM 22542282
NPT46 Individual Protein Thyroid hormone receptor beta-1 Homo sapiens Activity = 100 % 22542282
NPT5682 Individual Protein Thyroid hormone receptor alpha Homo sapiens Activity = 100 % 22542282
NPT2 Others Unspecified Ratio Ki = 1 22542282
NPT29 Organism Rattus norvegicus Rattus norvegicus ED50 = 0.00595 umol/kg 22542282
NPT29 Organism Rattus norvegicus Rattus norvegicus ED30 = 1.87 nmol/Kg 22542282
NPT29 Organism Rattus norvegicus Rattus norvegicus Ratio = 0.31 22542282
NPT1154 Individual Protein Monocarboxylate transporter 8 Rattus norvegicus Activity = 62 % 12871948
NPT877 Individual Protein Solute carrier family 22 member 8 Mus musculus Activity = 39.8 % 14762099
NPT1154 Individual Protein Monocarboxylate transporter 8 Rattus norvegicus Activity = 57 % 12871948
NPT305 Individual Protein Solute carrier organic anion transporter family member 1A4 Rattus norvegicus IC50 = 50400 nM 11561088
NPT1744 Individual Protein Solute carrier organic anion transporter family member 1C1 Mus musculus Ki = 24200 nM 15166123
NPT10 Individual Protein Geminin Homo sapiens Potency 33498.3 nM PubChem BioAssay data set
NPT10 Individual Protein Geminin Homo sapiens Potency 103.2 nM PubChem BioAssay data set
NPT155 Individual Protein Aryl hydrocarbon receptor Homo sapiens Potency 56234.1 nM PubChem BioAssay data set
NPT152 Individual Protein Nuclear factor erythroid 2-related factor 2 Homo sapiens Potency 48557.7 nM PubChem BioAssay data set
NPT2 Others Unspecified Potency 2511.9 nM PubChem BioAssay data set
NPT101 Individual Protein Glucagon-like peptide 1 receptor Homo sapiens Potency 10000 nM PubChem BioAssay data set
NPT2 Others Unspecified Ratio Ki = 1 23276448
NPT46 Individual Protein Thyroid hormone receptor beta-1 Homo sapiens Activity = 100 % 23276448
NPT5682 Individual Protein Thyroid hormone receptor alpha Homo sapiens Activity = 100 % 23276448
NPT46 Individual Protein Thyroid hormone receptor beta-1 Homo sapiens Ki = 2.29 nM 23276448
NPT5682 Individual Protein Thyroid hormone receptor alpha Homo sapiens Ki = 2.33 nM 23276448
NPT5123 Individual Protein Proliferating cell nuclear antigen Homo sapiens IC50 = 3600 nM 23395113
NPT2 Others Unspecified Potency 21136 nM PubChem BioAssay data set
NPT2 Others Unspecified Potency 29855.4 nM PubChem BioAssay data set
NPT2 Others Unspecified Ki = 0.018 nM 23403082
NPT2 Others Unspecified IC50 = 0.034 nM 23403082
NPT2 Others Unspecified Inhibition = 6 % 23403082
NPT29 Organism Rattus norvegicus Rattus norvegicus Activity = 31 ng/dl 24290064
NPT29 Organism Rattus norvegicus Rattus norvegicus Activity = 0.9 ug/dl 24290064
NPT29 Organism Rattus norvegicus Rattus norvegicus Activity = 0.1 uIU/ml 24290064
NPT29 Organism Rattus norvegicus Rattus norvegicus Activity = 1.25 ug 24290064
NPT29 Organism Rattus norvegicus Rattus norvegicus Activity = 430 bpm 24290064
NPT29 Organism Rattus norvegicus Rattus norvegicus Activity = 61 mg/dl 24290064
NPT29 Organism Rattus norvegicus Rattus norvegicus Activity = 22 mg/dl 24290064
NPT29 Organism Rattus norvegicus Rattus norvegicus Activity = 28 mg/dl 24290064
NPT29 Organism Rattus norvegicus Rattus norvegicus Activity = 123 mg/dl 24290064
NPT2 Others Unspecified Ratio EC50 = 1 24290064
NPT46 Individual Protein Thyroid hormone receptor beta-1 Homo sapiens EC50 = 2 nM 24290064
NPT5682 Individual Protein Thyroid hormone receptor alpha Homo sapiens EC50 = 2.1 nM 24290064
NPT2 Others Unspecified Ratio IC50 = 1.1 24290064
NPT46 Individual Protein Thyroid hormone receptor beta-1 Homo sapiens IC50 = 2.9 nM 24290064
NPT5682 Individual Protein Thyroid hormone receptor alpha Homo sapiens IC50 = 3.2 nM 24290064
NPT2 Others Unspecified Potency 37141.2 nM PubChem BioAssay data set
NPT2 Others Unspecified Potency 29849.3 nM PubChem BioAssay data set
NPT2 Others Unspecified Potency 9511.2 nM PubChem BioAssay data set
NPT2 Others Unspecified Potency 33491.5 nM PubChem BioAssay data set
NPT2 Others Unspecified Potency 1258.9 nM PubChem BioAssay data set
NPT2 Others Unspecified Potency 371.4 nM PubChem BioAssay data set
NPT2 Others Unspecified Potency 23710.1 nM PubChem BioAssay data set
NPT105 Individual Protein Muscleblind-like protein 1 Homo sapiens Potency 79432.8 nM PubChem BioAssay data set
NPT2 Others Unspecified Potency 23434.5 nM PubChem BioAssay data set
NPT2 Others Unspecified Potency 5308 nM PubChem BioAssay data set
NPT2 Others Unspecified Potency 26603.2 nM PubChem BioAssay data set
NPT2 Others Unspecified Potency 16735.7 nM PubChem BioAssay data set
NPT2 Others Unspecified Potency 6.6 nM PubChem BioAssay data set
NPT2 Others Unspecified Potency 26524.3 nM PubChem BioAssay data set
NPT2 Others Unspecified Potency 8485.2 nM PubChem BioAssay data set
NPT2 Others Unspecified Potency 23914.5 nM PubChem BioAssay data set
NPT2 Others Unspecified Potency 5.2 nM PubChem BioAssay data set
NPT2 Others Unspecified Potency 2.3 nM PubChem BioAssay data set
NPT2 Others Unspecified Potency 2.1 nM PubChem BioAssay data set
NPT5682 Individual Protein Thyroid hormone receptor alpha Homo sapiens EC50 = 10 nM 24712661
NPT46 Individual Protein Thyroid hormone receptor beta-1 Homo sapiens EC50 = 15 nM 24712661
NPT2 Others Unspecified Ratio EC50 = 1 24712661
NPT46 Individual Protein Thyroid hormone receptor beta-1 Homo sapiens Activity = 100 % 24712661
NPT5682 Individual Protein Thyroid hormone receptor alpha Homo sapiens Activity = 100 % 24712661
NPT32 Organism Mus musculus Mus musculus Activity = 10 % 24712661
NPT29 Organism Rattus norvegicus Rattus norvegicus Activity = 545 % 818381
NPT29 Organism Rattus norvegicus Rattus norvegicus Activity = 100 % 195056
NPT5682 Individual Protein Thyroid hormone receptor alpha Homo sapiens EC50 = 0.41 nM 25305688
NPT2 Others Unspecified AC50 4470 nM PubChem BioAssay data set
NPT163 Individual Protein Nuclear factor NF-kappa-B p105 subunit Homo sapiens Potency 666.3 nM PubChem BioAssay data set
NPT2 Others Unspecified AC50 562.3 nM PubChem BioAssay data set
NPT32 Organism Mus musculus Mus musculus FC = 1.4 27381084

  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 NPC282087 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 NPC318028
1.0 High Similarity NPC317741
1.0 High Similarity NPC328137
1.0 High Similarity NPC259800
1.0 High Similarity NPC318984
1.0 High Similarity NPC241086
0.9847 High Similarity NPC326860
0.9847 High Similarity NPC197239
0.8692 High Similarity NPC318357
0.8601 High Similarity NPC17760
0.8538 High Similarity NPC239697
0.8462 Intermediate Similarity NPC317784
0.8462 Intermediate Similarity NPC142638
0.8308 Intermediate Similarity NPC188867
0.8308 Intermediate Similarity NPC281686
0.8308 Intermediate Similarity NPC106551
0.8143 Intermediate Similarity NPC470392
0.8069 Intermediate Similarity NPC66518
0.8058 Intermediate Similarity NPC325651
0.7955 Intermediate Similarity NPC51345
0.7941 Intermediate Similarity NPC27581
0.7868 Intermediate Similarity NPC326079
0.7842 Intermediate Similarity NPC124776
0.7737 Intermediate Similarity NPC56634
0.773 Intermediate Similarity NPC145888
0.773 Intermediate Similarity NPC161593
0.773 Intermediate Similarity NPC16031
0.7721 Intermediate Similarity NPC319950
0.7721 Intermediate Similarity NPC264976
0.7692 Intermediate Similarity NPC45191
0.7692 Intermediate Similarity NPC326966
0.7681 Intermediate Similarity NPC142577
0.7677 Intermediate Similarity NPC56635
0.7639 Intermediate Similarity NPC88667
0.7537 Intermediate Similarity NPC26524
0.7448 Intermediate Similarity NPC48909
0.7424 Intermediate Similarity NPC97811
0.7413 Intermediate Similarity NPC476353
0.7397 Intermediate Similarity NPC244866
0.7394 Intermediate Similarity NPC89630
0.7379 Intermediate Similarity NPC241354
0.7368 Intermediate Similarity NPC234639
0.7368 Intermediate Similarity NPC259554
0.7361 Intermediate Similarity NPC296712
0.7347 Intermediate Similarity NPC307289
0.7338 Intermediate Similarity NPC132771
0.7299 Intermediate Similarity NPC296526
0.7297 Intermediate Similarity NPC470441
0.7292 Intermediate Similarity NPC321561
0.7266 Intermediate Similarity NPC471033
0.7266 Intermediate Similarity NPC311091
0.7248 Intermediate Similarity NPC6913
0.7246 Intermediate Similarity NPC19290
0.7246 Intermediate Similarity NPC128249
0.7237 Intermediate Similarity NPC204546
0.7222 Intermediate Similarity NPC158900
0.7197 Intermediate Similarity NPC42383
0.7192 Intermediate Similarity NPC2596
0.7192 Intermediate Similarity NPC478147
0.7178 Intermediate Similarity NPC314725
0.7178 Intermediate Similarity NPC313375
0.7163 Intermediate Similarity NPC263835
0.7163 Intermediate Similarity NPC474874
0.7153 Intermediate Similarity NPC109241
0.7152 Intermediate Similarity NPC223616
0.7143 Intermediate Similarity NPC1065
0.7132 Intermediate Similarity NPC266932
0.7132 Intermediate Similarity NPC233238
0.7125 Intermediate Similarity NPC207675
0.7125 Intermediate Similarity NPC212699
0.7111 Intermediate Similarity NPC79543
0.7105 Intermediate Similarity NPC40321
0.7103 Intermediate Similarity NPC3221
0.7103 Intermediate Similarity NPC88403
0.7093 Intermediate Similarity NPC235194
0.7092 Intermediate Similarity NPC43275
0.7083 Intermediate Similarity NPC140359
0.7083 Intermediate Similarity NPC13020
0.708 Intermediate Similarity NPC17693
0.7077 Intermediate Similarity NPC245561
0.7077 Intermediate Similarity NPC125732
0.7075 Intermediate Similarity NPC226661
0.7063 Intermediate Similarity NPC474862
0.7063 Intermediate Similarity NPC177291
0.7063 Intermediate Similarity NPC194416
0.7055 Intermediate Similarity NPC474476
0.7055 Intermediate Similarity NPC475236
0.7047 Intermediate Similarity NPC141549
0.7039 Intermediate Similarity NPC48202
0.7034 Intermediate Similarity NPC474237
0.7029 Intermediate Similarity NPC309808
0.7023 Intermediate Similarity NPC52472
0.7021 Intermediate Similarity NPC205502
0.7021 Intermediate Similarity NPC293424
0.7014 Intermediate Similarity NPC291189
0.7014 Intermediate Similarity NPC69403
0.7013 Intermediate Similarity NPC13696
0.7013 Intermediate Similarity NPC79372
0.7007 Intermediate Similarity NPC95034
0.7007 Intermediate Similarity NPC142087
0.7007 Intermediate Similarity NPC21890
0.7007 Intermediate Similarity NPC22783
0.7 Intermediate Similarity NPC243404
0.7 Intermediate Similarity NPC163398
0.6986 Remote Similarity NPC168259
0.6986 Remote Similarity NPC320242
0.6986 Remote Similarity NPC4164
0.6986 Remote Similarity NPC280767
0.6985 Remote Similarity NPC145638
0.6985 Remote Similarity NPC290566
0.698 Remote Similarity NPC257390
0.698 Remote Similarity NPC7569
0.698 Remote Similarity NPC326599
0.698 Remote Similarity NPC329595
0.698 Remote Similarity NPC278787
0.698 Remote Similarity NPC475102
0.698 Remote Similarity NPC2989
0.6978 Remote Similarity NPC235250
0.6975 Remote Similarity NPC319320
0.6975 Remote Similarity NPC287757
0.697 Remote Similarity NPC307425
0.6968 Remote Similarity NPC310370
0.6968 Remote Similarity NPC183642
0.6966 Remote Similarity NPC328267
0.6966 Remote Similarity NPC473942
0.6963 Remote Similarity NPC186469
0.6962 Remote Similarity NPC324081
0.6959 Remote Similarity NPC201419
0.6948 Remote Similarity NPC91953
0.6943 Remote Similarity NPC9373
0.6943 Remote Similarity NPC313414
0.694 Remote Similarity NPC473855
0.694 Remote Similarity NPC13495
0.6939 Remote Similarity NPC218323
0.6934 Remote Similarity NPC183700
0.6929 Remote Similarity NPC301321
0.6923 Remote Similarity NPC10781
0.6923 Remote Similarity NPC122493
0.6923 Remote Similarity NPC14177
0.6923 Remote Similarity NPC293628
0.6918 Remote Similarity NPC95733
0.6918 Remote Similarity NPC111088
0.6918 Remote Similarity NPC62101
0.6918 Remote Similarity NPC221798
0.6918 Remote Similarity NPC193805
0.6918 Remote Similarity NPC229113
0.6917 Remote Similarity NPC298224
0.6913 Remote Similarity NPC238309
0.6913 Remote Similarity NPC473019
0.6912 Remote Similarity NPC206341
0.6912 Remote Similarity NPC31274
0.6908 Remote Similarity NPC6570
0.6908 Remote Similarity NPC176814
0.6908 Remote Similarity NPC4982
0.6908 Remote Similarity NPC5310
0.6908 Remote Similarity NPC68779
0.6908 Remote Similarity NPC300776
0.6897 Remote Similarity NPC311219
0.6897 Remote Similarity NPC302211
0.6894 Remote Similarity NPC107101
0.6889 Remote Similarity NPC188677
0.6889 Remote Similarity NPC113457
0.6889 Remote Similarity NPC70843
0.6887 Remote Similarity NPC113006
0.6887 Remote Similarity NPC169766
0.6883 Remote Similarity NPC197921
0.6879 Remote Similarity NPC470860
0.6879 Remote Similarity NPC33717
0.6875 Remote Similarity NPC139839
0.6871 Remote Similarity NPC257589
0.6871 Remote Similarity NPC53305
0.6871 Remote Similarity NPC29477
0.6867 Remote Similarity NPC109778
0.6867 Remote Similarity NPC275538
0.6866 Remote Similarity NPC38209
0.6866 Remote Similarity NPC8931
0.6866 Remote Similarity NPC261573
0.6866 Remote Similarity NPC283546
0.6866 Remote Similarity NPC120693
0.6863 Remote Similarity NPC476018
0.6863 Remote Similarity NPC113295
0.6863 Remote Similarity NPC248872
0.6863 Remote Similarity NPC475029
0.6863 Remote Similarity NPC475011
0.6859 Remote Similarity NPC170812
0.6859 Remote Similarity NPC326065
0.6853 Remote Similarity NPC61779
0.6853 Remote Similarity NPC283760
0.6849 Remote Similarity NPC93730
0.6849 Remote Similarity NPC248786
0.6849 Remote Similarity NPC211218
0.6849 Remote Similarity NPC14141
0.6846 Remote Similarity NPC2401
0.6842 Remote Similarity NPC287533
0.6839 Remote Similarity NPC319870
0.6839 Remote Similarity NPC73078
0.6839 Remote Similarity NPC265335
0.6839 Remote Similarity NPC189724
0.6839 Remote Similarity NPC469360
0.6839 Remote Similarity NPC148738

  Similar Clinical/Approved Drugs

Similarity level is defined by Tanimoto coefficient (Tc) between two molecules.

●  The left chart: Distribution of similarity level between NPC282087 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 NPD1537 Approved
1.0 High Similarity NPD1538 Phase 1
1.0 High Similarity NPD1519 Approved
0.9847 High Similarity NPD1522 Approved
0.9847 High Similarity NPD1523 Approved
0.9846 High Similarity NPD1536 Approved
0.9695 High Similarity NPD1521 Approved
0.9695 High Similarity NPD1520 Approved
0.8769 High Similarity NPD1535 Discovery
0.8702 High Similarity NPD1481 Phase 2
0.8571 High Similarity NPD196 Phase 1
0.8456 Intermediate Similarity NPD2614 Approved
0.8308 Intermediate Similarity NPD9568 Approved
0.8264 Intermediate Similarity NPD2976 Clinical (unspecified phase)
0.8045 Intermediate Similarity NPD1894 Discontinued
0.7823 Intermediate Similarity NPD7596 Clinical (unspecified phase)
0.782 Intermediate Similarity NPD256 Approved
0.782 Intermediate Similarity NPD255 Approved
0.7748 Intermediate Similarity NPD3536 Discontinued
0.773 Intermediate Similarity NPD9569 Approved
0.7687 Intermediate Similarity NPD2239 Approved
0.7687 Intermediate Similarity NPD2240 Approved
0.7655 Intermediate Similarity NPD555 Phase 2
0.7639 Intermediate Similarity NPD259 Phase 1
0.7628 Intermediate Similarity NPD5355 Approved
0.7628 Intermediate Similarity NPD5356 Approved
0.7622 Intermediate Similarity NPD5163 Phase 2
0.7603 Intermediate Similarity NPD3052 Approved
0.7603 Intermediate Similarity NPD3054 Approved
0.7548 Intermediate Similarity NPD3455 Phase 2
0.75 Intermediate Similarity NPD9536 Phase 1
0.75 Intermediate Similarity NPD9537 Phase 1
0.7448 Intermediate Similarity NPD3056 Clinical (unspecified phase)
0.7397 Intermediate Similarity NPD6233 Phase 2
0.7397 Intermediate Similarity NPD5745 Approved
0.7379 Intermediate Similarity NPD3136 Phase 2
0.7376 Intermediate Similarity NPD2231 Phase 2
0.7376 Intermediate Similarity NPD2235 Phase 2
0.7357 Intermediate Similarity NPD3847 Discontinued
0.7333 Intermediate Similarity NPD9570 Approved
0.7308 Intermediate Similarity NPD7131 Phase 3
0.7296 Intermediate Similarity NPD4018 Clinical (unspecified phase)
0.7292 Intermediate Similarity NPD258 Approved
0.7292 Intermediate Similarity NPD257 Approved
0.7273 Intermediate Similarity NPD968 Approved
0.7267 Intermediate Similarity NPD6867 Clinical (unspecified phase)
0.7267 Intermediate Similarity NPD6866 Clinical (unspecified phase)
0.726 Intermediate Similarity NPD5746 Approved
0.726 Intermediate Similarity NPD9718 Approved
0.7256 Intermediate Similarity NPD7608 Discontinued
0.7252 Intermediate Similarity NPD9608 Approved
0.7252 Intermediate Similarity NPD9610 Approved
0.725 Intermediate Similarity NPD3465 Clinical (unspecified phase)
0.7237 Intermediate Similarity NPD2030 Discontinued
0.7233 Intermediate Similarity NPD6677 Suspended
0.7233 Intermediate Similarity NPD2541 Clinical (unspecified phase)
0.723 Intermediate Similarity NPD826 Approved
0.723 Intermediate Similarity NPD825 Approved
0.7222 Intermediate Similarity NPD1203 Approved
0.7219 Intermediate Similarity NPD4477 Approved
0.7219 Intermediate Similarity NPD4476 Approved
0.7219 Intermediate Similarity NPD7450 Phase 2
0.72 Intermediate Similarity NPD5688 Approved
0.72 Intermediate Similarity NPD5689 Approved
0.7192 Intermediate Similarity NPD600 Approved
0.7192 Intermediate Similarity NPD596 Approved
0.7179 Intermediate Similarity NPD5348 Clinical (unspecified phase)
0.7178 Intermediate Similarity NPD5709 Phase 3
0.7172 Intermediate Similarity NPD558 Phase 2
0.717 Intermediate Similarity NPD6502 Phase 2
0.7169 Intermediate Similarity NPD3451 Clinical (unspecified phase)
0.7152 Intermediate Similarity NPD3686 Approved
0.7152 Intermediate Similarity NPD3687 Approved
0.7143 Intermediate Similarity NPD7972 Discontinued
0.7134 Intermediate Similarity NPD4666 Phase 3
0.7134 Intermediate Similarity NPD6390 Discontinued
0.7134 Intermediate Similarity NPD4186 Clinical (unspecified phase)
0.7133 Intermediate Similarity NPD1608 Approved
0.7133 Intermediate Similarity NPD2653 Approved
0.7118 Intermediate Similarity NPD7039 Approved
0.7118 Intermediate Similarity NPD7038 Approved
0.7107 Intermediate Similarity NPD3769 Discontinued
0.7103 Intermediate Similarity NPD2797 Approved
0.7095 Intermediate Similarity NPD3374 Clinical (unspecified phase)
0.7095 Intermediate Similarity NPD6859 Clinical (unspecified phase)
0.7095 Intermediate Similarity NPD6798 Discontinued
0.7083 Intermediate Similarity NPD6583 Phase 3
0.7083 Intermediate Similarity NPD6582 Phase 2
0.708 Intermediate Similarity NPD5535 Approved
0.7073 Intermediate Similarity NPD6315 Phase 2
0.7067 Intermediate Similarity NPD4618 Approved
0.7067 Intermediate Similarity NPD4622 Approved
0.7051 Intermediate Similarity NPD6667 Approved
0.7051 Intermediate Similarity NPD6666 Approved
0.7047 Intermediate Similarity NPD4062 Phase 3
0.7032 Intermediate Similarity NPD3400 Discontinued
0.7025 Intermediate Similarity NPD3647 Clinical (unspecified phase)
0.7 Intermediate Similarity NPD2203 Discontinued
0.6993 Remote Similarity NPD6032 Approved
0.6993 Remote Similarity NPD2935 Discontinued
0.6986 Remote Similarity NPD1817 Approved
0.6986 Remote Similarity NPD1818 Approved
0.6986 Remote Similarity NPD1820 Approved
0.6986 Remote Similarity NPD1819 Approved
0.6985 Remote Similarity NPD9380 Clinical (unspecified phase)
0.6982 Remote Similarity NPD3909 Discontinued
0.6981 Remote Similarity NPD7427 Discontinued
0.698 Remote Similarity NPD3268 Approved
0.6975 Remote Similarity NPD8019 Approved
0.6968 Remote Similarity NPD2459 Approved
0.6968 Remote Similarity NPD2460 Phase 3
0.6968 Remote Similarity NPD2458 Approved
0.6966 Remote Similarity NPD3676 Clinical (unspecified phase)
0.6966 Remote Similarity NPD2428 Approved
0.6966 Remote Similarity NPD2429 Approved
0.6954 Remote Similarity NPD274 Approved
0.6954 Remote Similarity NPD6355 Discontinued
0.6954 Remote Similarity NPD275 Approved
0.6948 Remote Similarity NPD7978 Discontinued
0.6948 Remote Similarity NPD5865 Clinical (unspecified phase)
0.6939 Remote Similarity NPD6584 Phase 3
0.6928 Remote Similarity NPD6746 Phase 2
0.6923 Remote Similarity NPD17 Approved
0.6923 Remote Similarity NPD9566 Approved
0.6923 Remote Similarity NPD2556 Approved
0.6923 Remote Similarity NPD2554 Approved
0.6918 Remote Similarity NPD3225 Approved
0.6918 Remote Similarity NPD1283 Approved
0.6913 Remote Similarity NPD6179 Discontinued
0.6906 Remote Similarity NPD1241 Discontinued
0.6901 Remote Similarity NPD1759 Phase 1
0.6901 Remote Similarity NPD5557 Phase 1
0.6899 Remote Similarity NPD6682 Clinical (unspecified phase)
0.6897 Remote Similarity NPD9717 Approved
0.6897 Remote Similarity NPD2562 Approved
0.6897 Remote Similarity NPD2561 Approved
0.6875 Remote Similarity NPD7523 Phase 3
0.6871 Remote Similarity NPD7495 Discontinued
0.6871 Remote Similarity NPD4433 Discontinued
0.6867 Remote Similarity NPD2313 Discontinued
0.686 Remote Similarity NPD6297 Approved
0.6859 Remote Similarity NPD3060 Approved
0.6859 Remote Similarity NPD4162 Approved
0.6857 Remote Similarity NPD595 Approved
0.6857 Remote Similarity NPD9618 Approved
0.6857 Remote Similarity NPD9614 Approved
0.6857 Remote Similarity NPD593 Approved
0.6855 Remote Similarity NPD2874 Phase 2
0.6853 Remote Similarity NPD3049 Approved
0.6853 Remote Similarity NPD6382 Discontinued
0.6839 Remote Similarity NPD6800 Clinical (unspecified phase)
0.6832 Remote Similarity NPD2370 Clinical (unspecified phase)
0.6831 Remote Similarity NPD317 Approved
0.6831 Remote Similarity NPD1758 Phase 1
0.6831 Remote Similarity NPD318 Approved
0.6828 Remote Similarity NPD422 Phase 1
0.6824 Remote Similarity NPD3690 Phase 2
0.6824 Remote Similarity NPD3691 Phase 2
0.6824 Remote Similarity NPD3366 Approved
0.6824 Remote Similarity NPD7451 Discontinued
0.6821 Remote Similarity NPD839 Approved
0.6821 Remote Similarity NPD1423 Approved
0.6821 Remote Similarity NPD840 Approved
0.6821 Remote Similarity NPD7477 Discontinued
0.6818 Remote Similarity NPD2799 Discontinued
0.6815 Remote Similarity NPD4109 Clinical (unspecified phase)
0.6815 Remote Similarity NPD3750 Approved
0.6815 Remote Similarity NPD4110 Phase 3
0.6813 Remote Similarity NPD2186 Approved
0.681 Remote Similarity NPD6385 Approved
0.681 Remote Similarity NPD6386 Approved
0.681 Remote Similarity NPD7615 Clinical (unspecified phase)
0.6807 Remote Similarity NPD955 Approved
0.6807 Remote Similarity NPD8031 Discontinued
0.6806 Remote Similarity NPD2668 Approved
0.6806 Remote Similarity NPD2667 Approved
0.68 Remote Similarity NPD6853 Approved
0.68 Remote Similarity NPD3167 Approved
0.68 Remote Similarity NPD3179 Approved
0.68 Remote Similarity NPD3166 Approved
0.68 Remote Similarity NPD3180 Approved
0.68 Remote Similarity NPD6851 Approved
0.68 Remote Similarity NPD3164 Approved
0.68 Remote Similarity NPD7095 Approved
0.68 Remote Similarity NPD3165 Approved
0.6797 Remote Similarity NPD4579 Clinical (unspecified phase)
0.6797 Remote Similarity NPD3528 Clinical (unspecified phase)
0.6786 Remote Similarity NPD594 Approved
0.6786 Remote Similarity NPD592 Approved
0.6786 Remote Similarity NPD7484 Phase 3
0.6786 Remote Similarity NPD7485 Phase 3
0.6784 Remote Similarity NPD6620 Discovery
0.6779 Remote Similarity NPD454 Approved
0.6776 Remote Similarity NPD3142 Approved
0.6776 Remote Similarity NPD3140 Approved
0.6772 Remote Similarity NPD2309 Approved
0.6765 Remote Similarity NPD7784 Clinical (unspecified phase)
0.6761 Remote Similarity NPD3596 Phase 2
0.6759 Remote Similarity NPD3496 Discontinued
0.6757 Remote Similarity NPD3266 Approved

Structure

External Identifiers

PubChem CID   7048703;5920
ChEMBL   CHEMBL1544
ZINC  

Physicochemical Properties

Molecular Weight:  650.79
ALogP:  2.5615
MLogP:  2.23
XLogP:  2.213
# Rotatable Bonds:  11
Polar Surface Area:  92.78
# H-Bond Aceptor:  3
# H-Bond Donor:  3
# Rings:  2
# Heavy Atoms:  23

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