Natural Product: NPC205213

Natural Product ID:  NPC205213
Common Name:   Triclosan
IUPAC Name:   5-chloro-2-(2,4-dichlorophenoxy)phenol
Synonyms:   Aquasept; CH-3565; Cloxifenol; DNDI1246774; Gamophen; Innoxa; Manusept; Skinsan; Stri-Dex Cleansing Bar; Stri-Dex Face Wash; Tegusept; Triclosan
Molecular Formula:   C12H7Cl3O2
Standard InCHIKey:  XEFQLINVKFYRCS-UHFFFAOYSA-N
Standard InCHI:  InChI=1S/C12H7Cl3O2/c13-7-1-3-11(9(15)5-7)17-12-4-2-8(14)6-10(12)16/h1-6,16H
Canonical SMILES:  Clc1ccc(c(c1)O)Oc1ccc(cc1Cl)Cl
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
NPO22230 Rhodiola crenulata Species Crassulaceae Eukaryota TCMID*
NPO15124 Herba sedi sarmentosi NA NA NA TCMID*
NPO25618 Eriobotrya japonica Species Rosaceae Eukaryota TCMID*
NPO25614 Herba dracocephali tangutici NA NA NA TCMID*

  Biological Activity

Target ID Target Type Target Name Target Organism Activity Type Activity Relation Value Unit Reference
NPT5154 Individual Protein Enoyl-[acyl-carrier-protein] reductase Staphylococcus aureus subsp. aureus MRSA252 IC50 = 70 nM 12699381
NPT2 Others Unspecified IC50 = 430 nM 12699381
NPT2 Others Unspecified IC50 > 30000 nM 12699381
NPT16 Organism Staphylococcus aureus Staphylococcus aureus MIC50 = 0.03 ug/ml 12699381
NPT1122 Organism Haemophilus influenzae Haemophilus influenzae MIC50 = 0.5 ug/ml 12699381
NPT19 Organism Escherichia coli Escherichia coli MIC50 = 0.5 ug/ml 12699381
NPT1118 Organism Streptococcus pneumoniae Streptococcus pneumoniae MIC50 = 16 ug/ml 12699381
NPT175 Organism Enterococcus faecalis Enterococcus faecalis MIC50 = 16 ug/ml 12699381
NPT1121 Organism Moraxella catarrhalis Moraxella catarrhalis MIC50 < 0.06 ug/ml 12699381
NPT19 Organism Escherichia coli Escherichia coli MIC = 0.3 ug/ml 14736233
NPT5154 Individual Protein Enoyl-[acyl-carrier-protein] reductase Staphylococcus aureus subsp. aureus MRSA252 IC50 = 1100 nM 11527706
NPT1573 Individual Protein Enoyl-[acyl-carrier-protein] reductase Escherichia coli K-12 IC50 = 430 nM 11527706
NPT2 Others Unspecified MIC = 0.03 ug/ml 11527706
NPT2 Others Unspecified MIC = 0.06 ug/ml 11527706
NPT2 Others Unspecified MIC = 4 ug/ml 11527706
NPT5154 Individual Protein Enoyl-[acyl-carrier-protein] reductase Staphylococcus aureus subsp. aureus MRSA252 IC50 = 70 nM 12109908
NPT16 Organism Staphylococcus aureus Staphylococcus aureus MIC <= 0.06 ug/ml 12109908
NPT1122 Organism Haemophilus influenzae Haemophilus influenzae MIC <= 0.06 ug/ml 12109908
NPT2 Others Unspecified IC50 > 30000 nM 12109908
NPT1573 Individual Protein Enoyl-[acyl-carrier-protein] reductase Escherichia coli K-12 IC50 = 1100 nM 11514139
NPT1573 Individual Protein Enoyl-[acyl-carrier-protein] reductase Escherichia coli K-12 IC50 = 430 nM 11514139
NPT16 Organism Staphylococcus aureus Staphylococcus aureus MIC = 0.03 ug/ml 11514139
NPT1121 Organism Moraxella catarrhalis Moraxella catarrhalis MIC = 0.06 ug/ml 11514139
NPT6 Organism Plasmodium falciparum Plasmodium falciparum EC50 = 2900 nM 16198563
NPT6 Organism Plasmodium falciparum Plasmodium falciparum EC50 = 3900 nM 16198563
NPT1333 Individual Protein Enoyl-acyl-carrier protein reductase Plasmodium falciparum IC50 = 73 nM 16198563
NPT6 Organism Plasmodium falciparum Plasmodium falciparum EC50 = 2900 nM 16466916
NPT6 Organism Plasmodium falciparum Plasmodium falciparum EC50 = 3800 nM 16466916
NPT1333 Individual Protein Enoyl-acyl-carrier protein reductase Plasmodium falciparum IC50 = 73 nM 16466916
NPT1333 Individual Protein Enoyl-acyl-carrier protein reductase Plasmodium falciparum Ki = 7.29 nM 17263522
NPT1333 Individual Protein Enoyl-acyl-carrier protein reductase Plasmodium falciparum Ki = 28.31 nM 17263522
NPT1333 Individual Protein Enoyl-acyl-carrier protein reductase Plasmodium falciparum Ki = 52.71 nM 17263522
NPT1333 Individual Protein Enoyl-acyl-carrier protein reductase Plasmodium falciparum Ki = 30.54 nM 17263522
NPT1333 Individual Protein Enoyl-acyl-carrier protein reductase Plasmodium falciparum Ki = 71.02 nM 17263522
NPT1333 Individual Protein Enoyl-acyl-carrier protein reductase Plasmodium falciparum Ki = 0.0019 nM 17263522
NPT1333 Individual Protein Enoyl-acyl-carrier protein reductase Plasmodium falciparum Ki = 0.109 nM 17263522
NPT1333 Individual Protein Enoyl-acyl-carrier protein reductase Plasmodium falciparum Ki = 0.05206 nM 17263522
NPT1333 Individual Protein Enoyl-acyl-carrier protein reductase Plasmodium falciparum Ki = 0.2806 nM 17263522
NPT1333 Individual Protein Enoyl-acyl-carrier protein reductase Plasmodium falciparum Ki = 0.7983 nM 17263522
NPT1333 Individual Protein Enoyl-acyl-carrier protein reductase Plasmodium falciparum Ki = 1 nM 17263522
NPT1333 Individual Protein Enoyl-acyl-carrier protein reductase Plasmodium falciparum Ki = 8.25 nM 17263522
NPT1333 Individual Protein Enoyl-acyl-carrier protein reductase Plasmodium falciparum Ki = 8 nM 17263522
NPT1333 Individual Protein Enoyl-acyl-carrier protein reductase Plasmodium falciparum Ki = 10 nM 17263522
NPT1333 Individual Protein Enoyl-acyl-carrier protein reductase Plasmodium falciparum Ki = 13.72 nM 17263522
NPT6 Organism Plasmodium falciparum Plasmodium falciparum IC50 = 1100 nM 17060533
NPT6 Organism Plasmodium falciparum Plasmodium falciparum MIC90 = 15800 nM 17060533
NPT6 Organism Plasmodium falciparum Plasmodium falciparum IC50 = 1200 nM 17060533
NPT6 Organism Plasmodium falciparum Plasmodium falciparum MIC90 = 10200 nM 17060533
NPT2 Others Unspecified IC50 = 510 nM 17095231
NPT16 Organism Staphylococcus aureus Staphylococcus aureus MIC = 0.125 ug/ml 17095231
NPT878 Organism Streptococcus mutans Streptococcus mutans MIC = 16 ug/ml 17220400
NPT878 Organism Streptococcus mutans Streptococcus mutans Inhibition = 78.13 % 17220400
NPT878 Organism Streptococcus mutans Streptococcus mutans Inhibition = 10.9 % 17220400
NPT1333 Individual Protein Enoyl-acyl-carrier protein reductase Plasmodium falciparum IC50 = 66 nM 17477517
NPT1333 Individual Protein Enoyl-acyl-carrier protein reductase Plasmodium falciparum Ki = 660 nM 17477517
NPT2 Others Unspecified IC50 = 900 nM 17713898
NPT5156 Individual Protein Enoyl-(Acyl-carrier-protein) reductase Streptococcus pneumoniae IC50 > 32000 nM 17713898
NPT16 Organism Staphylococcus aureus Staphylococcus aureus MIC = 0.063 ug/ml 17713898
NPT5156 Individual Protein Enoyl-(Acyl-carrier-protein) reductase Streptococcus pneumoniae IC50 > 32000 nM 17892940
NPT1573 Individual Protein Enoyl-[acyl-carrier-protein] reductase Escherichia coli K-12 IC50 = 900 nM 17892940
NPT77 Individual Protein Transthyretin Homo sapiens Activity = 75 % 17948976
NPT77 Individual Protein Transthyretin Homo sapiens Activity = 66 % 17948976
NPT77 Individual Protein Transthyretin Homo sapiens IC50 = 53500 nM 17948976
NPT77 Individual Protein Transthyretin Homo sapiens Kd = 144000 nM 17948976
NPT77 Individual Protein Transthyretin Homo sapiens Inhibition = 62 % 17948976
NPT77 Individual Protein Transthyretin Homo sapiens Activity = 41 % 17948976
NPT77 Individual Protein Transthyretin Homo sapiens Activity = 47 % 17948976
NPT1333 Individual Protein Enoyl-acyl-carrier protein reductase Plasmodium falciparum IC50 = 0.014 ug/ml 17765547
NPT6 Organism Plasmodium falciparum Plasmodium falciparum EC50 = 3800 nM 17567585
NPT6 Organism Plasmodium falciparum Plasmodium falciparum EC50 = 2800 nM 17567585
NPT1333 Individual Protein Enoyl-acyl-carrier protein reductase Plasmodium falciparum IC50 = 73 nM 17567585
NPT5157 Individual Protein Enoyl-[acyl-carrier-protein] reductase Mycobacterium tuberculosis Ki = 200 nM 18457948
NPT5158 Individual Protein Enoyl-[acyl-carrier-protein] reductase [NADH] Bacillus subtilis (strain 168) IC50 = 500 nM 18499454
NPT1550 Organism Bacillus anthracis Bacillus anthracis MIC = 3.1 ug/ml 18499454
NPT6 Organism Plasmodium falciparum Plasmodium falciparum IC50 = 6258 nM 17110371
NPT6 Organism Plasmodium falciparum Plasmodium falciparum IC50 = 4186 nM 17110371
NPT6 Organism Plasmodium falciparum Plasmodium falciparum IC50 = 773.9 nM 17110371
NPT6 Organism Plasmodium falciparum Plasmodium falciparum IC50 = 424.4 nM 17110371
NPT6 Organism Plasmodium falciparum Plasmodium falciparum IC50 = 2708 nM 17110371
NPT6 Organism Plasmodium falciparum Plasmodium falciparum IC50 = 1526 nM 17110371
NPT5157 Individual Protein Enoyl-[acyl-carrier-protein] reductase Mycobacterium tuberculosis IC50 = 3000 nM 12141869
NPT1333 Individual Protein Enoyl-acyl-carrier protein reductase Plasmodium falciparum IC50 = 70 nM 17485508
NPT6 Organism Plasmodium falciparum Plasmodium falciparum IC50 = 700 nM 17485508
NPT2 Others Unspecified Ki = 232 nM 17485508
NPT19 Organism Escherichia coli Escherichia coli MIC = 1000 nM 18434169
NPT19 Organism Escherichia coli Escherichia coli IC50 = 750 nM 18434169
NPT6 Organism Plasmodium falciparum Plasmodium falciparum IC50 = 2290 nM 18434169
NPT6 Organism Plasmodium falciparum Plasmodium falciparum MIC = 17600 nM 18434169
NPT1581 Individual Protein Carbonyl reductase [NADPH] 1 Homo sapiens IC50 = 400 nM 19097799
NPT1581 Individual Protein Carbonyl reductase [NADPH] 1 Homo sapiens Ki = 60 nM 19097799
NPT88 Organism Mycobacterium tuberculosis Mycobacterium tuberculosis Activity = 100 % 18538450
NPT88 Organism Mycobacterium tuberculosis Mycobacterium tuberculosis MIC = 5 ug/ml 18538450
NPT1333 Individual Protein Enoyl-acyl-carrier protein reductase Plasmodium falciparum IC50 = 73 nM 19217192
NPT1333 Individual Protein Enoyl-acyl-carrier protein reductase Plasmodium falciparum Ki = 50 nM 19217192
NPT19 Organism Escherichia coli Escherichia coli MIC90 = 2.9 ug/ml 19959361
NPT19 Organism Escherichia coli Escherichia coli MIC90 > 500 ug/ml 19959361
NPT878 Organism Streptococcus mutans Streptococcus mutans MIC = 4 ug/ml 20427099
NPT878 Organism Streptococcus mutans Streptococcus mutans MBC = 8 ug/ml 20427099
NPT1129 Organism Actinomyces viscosus Actinomyces viscosus MIC = 4 ug/ml 20427099
NPT1129 Organism Actinomyces viscosus Actinomyces viscosus MBC = 8 ug/ml 20427099
NPT1172 Organism Streptococcus sanguinis Streptococcus sanguinis MIC = 4 ug/ml 20427099
NPT1172 Organism Streptococcus sanguinis Streptococcus sanguinis MBC = 4 ug/ml 20427099
NPT1484 Organism Fusobacterium nucleatum Fusobacterium nucleatum MIC = 2 ug/ml 20427099
NPT1484 Organism Fusobacterium nucleatum Fusobacterium nucleatum MBC = 2 ug/ml 20427099
NPT1128 Organism Prevotella intermedia Prevotella intermedia MIC = 1 ug/ml 20427099
NPT1128 Organism Prevotella intermedia Prevotella intermedia MBC = 1 ug/ml 20427099
NPT1127 Organism Porphyromonas gingivalis Porphyromonas gingivalis MIC = 2 ug/ml 20427099
NPT1127 Organism Porphyromonas gingivalis Porphyromonas gingivalis MBC = 2 ug/ml 20427099
NPT605 Organism Homo sapiens Homo sapiens Activity = 4.9 % 19822703
NPT605 Organism Homo sapiens Homo sapiens Activity = 5.9 % 19822703
NPT19 Organism Escherichia coli Escherichia coli MIC = 0.2 ug/ml 19933806
NPT19 Organism Escherichia coli Escherichia coli MIC = 3 ug/ml 19933806
NPT19 Organism Escherichia coli Escherichia coli MIC = 4 ug/ml 19933806
NPT19 Organism Escherichia coli Escherichia coli MIC > 2000 ug/ml 19933806
NPT18 Organism Pseudomonas aeruginosa Pseudomonas aeruginosa MIC > 2000 ug/ml 19933806
NPT18 Organism Pseudomonas aeruginosa Pseudomonas aeruginosa MIC = 1 ug/ml 19933806
NPT2 Others Unspecified Inhibition = 29 % 19933806
NPT2 Others Unspecified Inhibition = 15 % 19933806
NPT859 Cell Line HFF Homo sapiens Activity > 0.006 nM 20698542
NPT486 Organism Toxoplasma gondii Toxoplasma gondii MIC50 = 5000 nM 20698542
NPT486 Organism Toxoplasma gondii Toxoplasma gondii MIC90 > 6000 nM 20698542
NPT5159 Individual Protein Enoyl-acyl carrier reductase Toxoplasma gondii IC50 < 20 nM 20698542
NPT19 Organism Escherichia coli Escherichia coli MIC = 0.2 ug/ml 18180352
NPT172 Organism Proteus mirabilis Proteus mirabilis MIC = 0.2 ug/ml 18180352
NPT172 Organism Proteus mirabilis Proteus mirabilis MIC = 40 ug/ml 18180352
NPT172 Organism Proteus mirabilis Proteus mirabilis MIC = 2 ug/ml 18180352
NPT172 Organism Proteus mirabilis Proteus mirabilis MIC = 5 ug/ml 18180352
NPT172 Organism Proteus mirabilis Proteus mirabilis MIC = 0.1 ug/ml 18180352
NPT172 Organism Proteus mirabilis Proteus mirabilis MIC = 20 ug/ml 18180352
NPT172 Organism Proteus mirabilis Proteus mirabilis MIC = 10 ug/ml 18180352
NPT172 Organism Proteus mirabilis Proteus mirabilis MIC = 0.8 ug/ml 18180352
NPT1850 Individual Protein Enoyl-ACP reductase Plasmodium falciparum IC50 = 0.014 ug/ml 20855214
NPT2 Others Unspecified MIC = 0.12 ug/ml 18694955
NPT2 Others Unspecified MIC = 0 ug/ml 18694955
NPT2 Others Unspecified MIC = 0.25 ug/ml 18694955
NPT2 Others Unspecified MIC = 1 ug/ml 18694955
NPT483 Individual Protein Prelamin-A/C Homo sapiens Potency = 31.6 nM PubChem BioAssay data set
NPT2 Others Unspecified IC50 = 490 nM PubChem BioAssay data set
NPT2 Others Unspecified IC50 = 680 nM PubChem BioAssay data set
NPT2 Others Unspecified EC50 = 33850 nM PubChem BioAssay data set
NPT442 Individual Protein Ferritin light chain Equus caballus Potency = 35481.3 nM PubChem BioAssay data set
NPT51 Individual Protein Microtubule-associated protein tau Homo sapiens Potency = 199.5 nM PubChem BioAssay data set
NPT2 Others Unspecified IC50 < 550 nM PubChem BioAssay data set
NPT2 Others Unspecified IC50 = 820 nM PubChem BioAssay data set
NPT151 Individual Protein 15-hydroxyprostaglandin dehydrogenase [NAD+] Homo sapiens Potency = 7943.3 nM PubChem BioAssay data set
NPT2 Others Unspecified IC50 = 670 nM PubChem BioAssay data set
NPT2 Others Unspecified EC50 = 28570 nM PubChem BioAssay data set
NPT2 Others Unspecified IC50 = 369 nM PubChem BioAssay data set
NPT2 Others Unspecified IC50 = 20000 nM 19075064
NPT2 Others Unspecified Inhibition > 75 % 19075064
NPT2 Others Unspecified Activity = 44.02 % 19075064
NPT2 Others Unspecified Activity = 45.87 % 19075064
NPT2 Others Unspecified Activity = 9.98 % 19075064
NPT2 Others Unspecified Activity = 0.13 % 19075064
NPT16 Organism Staphylococcus aureus Staphylococcus aureus Activity = 0 % 19223628
NPT16 Organism Staphylococcus aureus Staphylococcus aureus Activity = 5.6 % 19223628
NPT16 Organism Staphylococcus aureus Staphylococcus aureus Activity = 35.5 % 19223628
NPT16 Organism Staphylococcus aureus Staphylococcus aureus Activity = 136.4 % 19223628
NPT16 Organism Staphylococcus aureus Staphylococcus aureus Inhibition = 3.7 % 19223628
NPT16 Organism Staphylococcus aureus Staphylococcus aureus Inhibition = 9.9 % 19223628
NPT88 Organism Mycobacterium tuberculosis Mycobacterium tuberculosis FC >= 2 19564371
NPT1108 Organism Mycobacterium bovis BCG Mycobacterium bovis BCG MIC = 8 ug/ml 19564371
NPT1850 Individual Protein Enoyl-ACP reductase Plasmodium falciparum Inhibition = 99.5 % 21619045
NPT1850 Individual Protein Enoyl-ACP reductase Plasmodium falciparum IC50 = 200 nM 21619045
NPT16 Organism Staphylococcus aureus Staphylococcus aureus MIC = 20 ug/ml 21821415
NPT16 Organism Staphylococcus aureus Staphylococcus aureus MIC = 2000 ug/ml 21821415
NPT16 Organism Staphylococcus aureus Staphylococcus aureus MIC > 10000 ug/ml 21821415
NPT5157 Individual Protein Enoyl-[acyl-carrier-protein] reductase Mycobacterium tuberculosis Inhibition > 99 % 21944473
NPT790 Organism Mycobacterium tuberculosis H37Rv Mycobacterium tuberculosis H37Rv MIC = 34500 nM 21944473
NPT839 Cell Line L6 Rattus norvegicus IC50 = 82250 nM 10.6019/CHEMBL1862790
NPT580 Organism Trypanosoma cruzi Trypanosoma cruzi IC50 = 52960 nM 10.6019/CHEMBL1862790
NPT6 Organism Plasmodium falciparum Plasmodium falciparum Potency 6012 nM PubChem BioAssay data set
NPT46 Individual Protein Thyroid hormone receptor beta-1 Homo sapiens Potency 44668.4 nM PubChem BioAssay data set
NPT540 Individual Protein Bile acid receptor FXR Homo sapiens Potency 44668.4 nM PubChem BioAssay data set
NPT19 Organism Escherichia coli Escherichia coli AC50 = 329 nM PubChem BioAssay data set
NPT19 Organism Escherichia coli Escherichia coli AC50 = 1060 nM PubChem BioAssay data set
NPT8 Individual Protein DNA polymerase iota Homo sapiens Potency 63095.7 nM PubChem BioAssay data set
NPT65 Cell Line HepG2 Homo sapiens Potency 17782.8 nM PubChem BioAssay data set
NPT108 Individual Protein Estrogen receptor alpha Homo sapiens Potency 50118.7 nM PubChem BioAssay data set
NPT6 Organism Plasmodium falciparum Plasmodium falciparum Potency 9528.3 nM PubChem BioAssay data set
NPT154 Individual Protein Mothers against decapentaplegic homolog 3 Homo sapiens Potency 17782.8 nM PubChem BioAssay data set
NPT918 Individual Protein Heat shock protein HSP 90-alpha Homo sapiens AC50 = 7847 nM PubChem BioAssay data set
NPT919 Individual Protein HSP90 Plasmodium falciparum 3D7 AC50 = 7544 nM PubChem BioAssay data set
NPT546 Individual Protein Retinoid X receptor alpha Homo sapiens Potency 44668.4 nM PubChem BioAssay data set
NPT5157 Individual Protein Enoyl-[acyl-carrier-protein] reductase Mycobacterium tuberculosis Inhibition = 37 % 21975068
NPT88 Organism Mycobacterium tuberculosis Mycobacterium tuberculosis MIC = 5 ug/ml 22079026
NPT1333 Individual Protein Enoyl-acyl-carrier protein reductase Plasmodium falciparum IC50 = 70 nM 22082562
NPT16 Organism Staphylococcus aureus Staphylococcus aureus MIC90 <= 0.25 ug/ml 22285320
NPT16 Organism Staphylococcus aureus Staphylococcus aureus MIC90 = 0.5 ug/ml 22285320
NPT173 Organism Klebsiella pneumoniae Klebsiella pneumoniae MIC90 = 32 ug/ml 22285320
NPT747 Organism Acinetobacter baumannii Acinetobacter baumannii MIC90 = 128 ug/ml 22285320
NPT1521 Organism Stenotrophomonas maltophilia Stenotrophomonas maltophilia MIC90 > 512 ug/ml 22285320
NPT18 Organism Pseudomonas aeruginosa Pseudomonas aeruginosa MIC90 > 512 ug/ml 22285320
NPT19 Organism Escherichia coli Escherichia coli MIC90 = 64 ug/ml 22285320
NPT19 Organism Escherichia coli Escherichia coli MIC90 = 16 ug/ml 22285320
NPT1118 Organism Streptococcus pneumoniae Streptococcus pneumoniae MIC90 = 256 ug/ml 22285320
NPT1531 Organism Enterococcus faecium Enterococcus faecium MIC90 = 512 ug/ml 22285320
NPT175 Organism Enterococcus faecalis Enterococcus faecalis MIC90 = 512 ug/ml 22285320
NPT17 Organism Staphylococcus epidermidis Staphylococcus epidermidis MIC90 = 1 ug/ml 22285320
NPT16 Organism Staphylococcus aureus Staphylococcus aureus MIC90 = 1 ug/ml 22285320
NPT173 Organism Klebsiella pneumoniae Klebsiella pneumoniae MIC90 = 1 ug/ml 22285320
NPT747 Organism Acinetobacter baumannii Acinetobacter baumannii MIC90 = 8 ug/ml 22285320
NPT1521 Organism Stenotrophomonas maltophilia Stenotrophomonas maltophilia MIC90 = 512 ug/ml 22285320
NPT18 Organism Pseudomonas aeruginosa Pseudomonas aeruginosa MIC90 = 64 ug/ml 22285320
NPT19 Organism Escherichia coli Escherichia coli MIC90 = 1 ug/ml 22285320
NPT19 Organism Escherichia coli Escherichia coli MIC90 <= 0.25 ug/ml 22285320
NPT1118 Organism Streptococcus pneumoniae Streptococcus pneumoniae MIC90 = 128 ug/ml 22285320
NPT1531 Organism Enterococcus faecium Enterococcus faecium MIC90 = 16 ug/ml 22285320
NPT175 Organism Enterococcus faecalis Enterococcus faecalis MIC90 = 8 ug/ml 22285320
NPT17 Organism Staphylococcus epidermidis Staphylococcus epidermidis MIC90 <= 0.25 ug/ml 22285320
NPT10 Individual Protein Geminin Homo sapiens Potency 10.3 nM PubChem BioAssay data set
NPT10 Individual Protein Geminin Homo sapiens Potency 33498.3 nM PubChem BioAssay data set
NPT2 Others Unspecified Potency 10000 nM PubChem BioAssay data set
NPT155 Individual Protein Aryl hydrocarbon receptor Homo sapiens Potency 70794.6 nM PubChem BioAssay data set
NPT539 Individual Protein Cellular tumor antigen p53 Homo sapiens Potency 79432.8 nM PubChem BioAssay data set
NPT2 Others Unspecified Potency 28183.8 nM PubChem BioAssay data set
NPT152 Individual Protein Nuclear factor erythroid 2-related factor 2 Homo sapiens Potency 54482.7 nM PubChem BioAssay data set
NPT100 Individual Protein Glutaminase kidney isoform, mitochondrial Homo sapiens Potency 35481.3 nM PubChem BioAssay data set
NPT478 Individual Protein Ataxin-2 Homo sapiens Potency 39810.7 nM PubChem BioAssay data set
NPT101 Individual Protein Glucagon-like peptide 1 receptor Homo sapiens Potency 28183.8 nM PubChem BioAssay data set
NPT159 Individual Protein Aberrant vpr protein Human immunodeficiency virus 1 Potency 56234.1 nM PubChem BioAssay data set
NPT2 Others Unspecified IC50 = 10000 nM 21726077
NPT5160 Individual Protein Enoyl-[acyl-carrier-protein] reductase [NADPH] Staphylococcus aureus IC50 = 59 nM 23092194
NPT65 Cell Line HepG2 Homo sapiens ED50 = 2 ug/ml 23092194
NPT2 Others Unspecified MIC = 8 ug/ml 23092194
NPT175 Organism Enterococcus faecalis Enterococcus faecalis MIC = 2 ug/ml 23092194
NPT19 Organism Escherichia coli Escherichia coli MIC = 0.125 ug/ml 23092194
NPT16 Organism Staphylococcus aureus Staphylococcus aureus MIC = 0.031 ug/ml 23092194
NPT2 Others Unspecified IC50 = 170 nM 23092194
NPT3632 Organism Leishmania panamensis Leishmania panamensis EC50 = 11.3 ug/ml 10.1007/s00044-011-9886-8
NPT466 Cell Line U-937 Homo sapiens LC50 = 4.8 ug/ml 10.1007/s00044-011-9886-8
NPT6 Organism Plasmodium falciparum Plasmodium falciparum EC50 = 3800 nM 23313245
NPT6 Organism Plasmodium falciparum Plasmodium falciparum EC50 = 2900 nM 23313245
NPT2 Others Unspecified MIC = 32 ug/ml 23466234
NPT19 Organism Escherichia coli Escherichia coli MIC = 2 ug/ml 23466234
NPT16 Organism Staphylococcus aureus Staphylococcus aureus MIC = 4 ug/ml 23466234
NPT2 Others Unspecified MFC = 64 ug/ml 23466234
NPT19 Organism Escherichia coli Escherichia coli MBC = 4 ug/ml 23466234
NPT16 Organism Staphylococcus aureus Staphylococcus aureus MBC = 4 ug/ml 23466234
NPT5159 Individual Protein Enoyl-acyl carrier reductase Toxoplasma gondii IC50 = 15 nM 23453069
NPT5159 Individual Protein Enoyl-acyl carrier reductase Toxoplasma gondii Inhibition = 98 % 23453069
NPT2255 Organism Toxoplasma gondii RH Toxoplasma gondii RH MIC50 = 5000 nM 23453069
NPT2 Others Unspecified Potency 4855.8 nM PubChem BioAssay data set
NPT2 Others Unspecified Potency 23109.3 nM PubChem BioAssay data set
NPT2 Others Unspecified Potency 21136 nM PubChem BioAssay data set
NPT2 Others Unspecified Potency 33498.3 nM PubChem BioAssay data set
NPT2 Others Unspecified Potency 7695.9 nM PubChem BioAssay data set
NPT2 Others Unspecified Potency 29092.9 nM PubChem BioAssay data set
NPT861 Individual Protein Isocitrate dehydrogenase [NADP] cytoplasmic Homo sapiens Potency 23109.3 nM PubChem BioAssay data set
NPT160 Individual Protein TAR DNA-binding protein 43 Homo sapiens Potency 35481.3 nM PubChem BioAssay data set
NPT920 Individual Protein Alpha-synuclein Homo sapiens Potency 11220.2 nM PubChem BioAssay data set
NPT2 Others Unspecified IC50 = 5 nM 23806111
NPT2 Others Unspecified IC50 = 25 nM 23806111
NPT2 Others Unspecified IC50 = 1000 nM 23806111
NPT2 Others Unspecified IC50 = 50 nM 23806111
NPT5159 Individual Protein Enoyl-acyl carrier reductase Toxoplasma gondii IC50 = 15 nM 23664871
NPT5159 Individual Protein Enoyl-acyl carrier reductase Toxoplasma gondii Inhibition = 98 % 23664871
NPT859 Cell Line HFF Homo sapiens Activity > 0.01 nM 23664871
NPT2255 Organism Toxoplasma gondii RH Toxoplasma gondii RH MIC50 = 5000 nM 23664871
NPT2 Others Unspecified Ratio IC50 = 4 23815100
NPT2 Others Unspecified IC50 = 14000 nM 23815100
NPT2 Others Unspecified IC50 = 6000 nM 23815100
NPT2 Others Unspecified LC50 = 5400 nM 23815100
NPT2 Others Unspecified LC50 = 4200 nM 23815100
NPT5161 Individual Protein Enoyl-[acyl-carrier-protein] reductase [NADH] Francisella tularensis subsp. tularensis (strain SCHU S4 / Schu 4) IC50 = 1300 nM 23815100
NPT2 Others Unspecified IC50 = 300 nM 23815100
NPT2 Others Unspecified IC50 = 50 nM 23815100
NPT485 Organism Plasmodium falciparum (isolate K1 / Thailand) Plasmodium falciparum K1 IC50 = 1510 nM 24063369
NPT2 Others Unspecified Ki = 50 nM 24063369
NPT6 Organism Plasmodium falciparum Plasmodium falciparum IC50 = 1000 nM 24063369
NPT2 Others Unspecified IC50 = 50 nM 24063369
NPT790 Organism Mycobacterium tuberculosis H37Rv Mycobacterium tuberculosis H37Rv MIC = 34500 nM 24016834
NPT88 Organism Mycobacterium tuberculosis Mycobacterium tuberculosis MIC = 64000 nM 24107081
NPT5157 Individual Protein Enoyl-[acyl-carrier-protein] reductase Mycobacterium tuberculosis IC50 = 200 nM 24107081
NPT790 Organism Mycobacterium tuberculosis H37Rv Mycobacterium tuberculosis H37Rv MIC = 10 ug/ml 24292339
NPT314 Organism Bacillus cereus Bacillus cereus MIC = 0.01 ug/ml 24332629
NPT16 Organism Staphylococcus aureus Staphylococcus aureus MIC = 0.01 ug/ml 24332629
NPT1101 Organism Staphylococcus aureus subsp. aureus RN4220 Staphylococcus aureus subsp. aureus RN4220 MIC = 0.01 ug/ml 24332629
NPT5157 Individual Protein Enoyl-[acyl-carrier-protein] reductase Mycobacterium tuberculosis Inhibition > 99 % 24269516
NPT790 Organism Mycobacterium tuberculosis H37Rv Mycobacterium tuberculosis H37Rv MIC = 34500 nM 24269516
NPT2 Others Unspecified Potency 23914.5 nM PubChem BioAssay data set
NPT2 Others Unspecified Potency 14958.9 nM PubChem BioAssay data set
NPT2 Others Unspecified Potency 15848.9 nM PubChem BioAssay data set
NPT153 Individual Protein Androgen Receptor Homo sapiens Potency 6309.6 nM PubChem BioAssay data set
NPT153 Individual Protein Androgen Receptor Homo sapiens Potency 17632.7 nM PubChem BioAssay data set
NPT2 Others Unspecified Potency 7079.5 nM PubChem BioAssay data set
NPT2 Others Unspecified Potency 19952.6 nM PubChem BioAssay data set
NPT444 Individual Protein Ubiquitin carboxyl-terminal hydrolase 1 Homo sapiens Potency 39810.7 nM PubChem BioAssay data set
NPT2 Others Unspecified Potency 31355.9 nM PubChem BioAssay data set
NPT2 Others Unspecified Potency 1882.1 nM PubChem BioAssay data set
NPT2 Others Unspecified Potency 33491.5 nM PubChem BioAssay data set
NPT2 Others Unspecified Potency 22387.2 nM PubChem BioAssay data set
NPT2 Others Unspecified Potency 3346.9 nM PubChem BioAssay data set
NPT2 Others Unspecified Potency 27954.8 nM PubChem BioAssay data set
NPT535 Individual Protein Parathyroid hormone receptor Homo sapiens Potency 35481.3 nM PubChem BioAssay data set
NPT2 Others Unspecified Potency 4429.1 nM PubChem BioAssay data set
NPT2 Others Unspecified Potency 12589.3 nM PubChem BioAssay data set
NPT2 Others Unspecified Potency 4216.3 nM PubChem BioAssay data set
NPT2 Others Unspecified Potency 29847 nM PubChem BioAssay data set
NPT2 Others Unspecified Potency 35193 nM PubChem BioAssay data set
NPT152 Individual Protein Nuclear factor erythroid 2-related factor 2 Homo sapiens Potency 55759.5 nM PubChem BioAssay data set
NPT2 Others Unspecified Potency 79432.8 nM PubChem BioAssay data set
NPT2 Others Unspecified Potency 11125.5 nM PubChem BioAssay data set
NPT2 Others Unspecified Potency 13332.2 nM PubChem BioAssay data set
NPT2 Others Unspecified Potency 351.8 nM PubChem BioAssay data set
NPT2 Others Unspecified Potency 39810.7 nM PubChem BioAssay data set
NPT2 Others Unspecified Potency 29849.3 nM PubChem BioAssay data set
NPT152 Individual Protein Nuclear factor erythroid 2-related factor 2 Homo sapiens Potency 11882.3 nM PubChem BioAssay data set
NPT2 Others Unspecified Potency 25118.9 nM PubChem BioAssay data set
NPT2 Others Unspecified Potency 50118.7 nM PubChem BioAssay data set
NPT2 Others Unspecified Potency 17782.8 nM PubChem BioAssay data set
NPT2 Others Unspecified Potency 8837.3 nM PubChem BioAssay data set
NPT106 Individual Protein Peroxisome proliferator-activated receptor delta Homo sapiens Potency 63095.7 nM PubChem BioAssay data set
NPT2 Others Unspecified Potency 33488.9 nM PubChem BioAssay data set
NPT2 Others Unspecified Potency 27306 nM PubChem BioAssay data set
NPT2 Others Unspecified Potency 56234.1 nM PubChem BioAssay data set
NPT2 Others Unspecified Potency 27945.9 nM PubChem BioAssay data set
NPT2 Others Unspecified Potency 24906.8 nM PubChem BioAssay data set
NPT2 Others Unspecified Potency 62563.2 nM PubChem BioAssay data set
NPT2 Others Unspecified Potency 23708.3 nM PubChem BioAssay data set
NPT2 Others Unspecified Potency 8912.5 nM PubChem BioAssay data set
NPT153 Individual Protein Androgen Receptor Homo sapiens Potency 50118.7 nM PubChem BioAssay data set
NPT2 Others Unspecified Potency 1068.2 nM PubChem BioAssay data set
NPT162 Individual Protein Heat shock protein beta-1 Homo sapiens Potency 33488.9 nM PubChem BioAssay data set
NPT2 Others Unspecified Potency 11220.2 nM PubChem BioAssay data set
NPT2 Others Unspecified Potency 5575.9 nM PubChem BioAssay data set
NPT2 Others Unspecified Potency 70219.3 nM PubChem BioAssay data set
NPT2 Others Unspecified Potency 44668.4 nM PubChem BioAssay data set
NPT162 Individual Protein Heat shock protein beta-1 Homo sapiens Potency 22387.2 nM PubChem BioAssay data set
NPT2 Others Unspecified Potency 35481.3 nM PubChem BioAssay data set
NPT2 Others Unspecified Potency 30637.9 nM PubChem BioAssay data set
NPT2 Others Unspecified Potency 26603.2 nM PubChem BioAssay data set
NPT2 Others Unspecified Potency 17632.7 nM PubChem BioAssay data set
NPT2 Others Unspecified Potency 7019.7 nM PubChem BioAssay data set
NPT2 Others Unspecified Potency 3947.5 nM PubChem BioAssay data set
NPT2 Others Unspecified Potency 6309.6 nM PubChem BioAssay data set
NPT106 Individual Protein Peroxisome proliferator-activated receptor delta Homo sapiens Potency 63.1 nM PubChem BioAssay data set
NPT2 Others Unspecified Potency 22198.3 nM PubChem BioAssay data set
NPT2 Others Unspecified Potency 11883.2 nM PubChem BioAssay data set
NPT2 Others Unspecified Potency 5623.4 nM PubChem BioAssay data set
NPT2 Others Unspecified Potency 14006.1 nM PubChem BioAssay data set
NPT2 Others Unspecified IC50 = 0.015 ug/ml 25103602
NPT790 Organism Mycobacterium tuberculosis H37Rv Mycobacterium tuberculosis H37Rv FC = 8 24967731
NPT5157 Individual Protein Enoyl-[acyl-carrier-protein] reductase Mycobacterium tuberculosis IC50 = 630 nM 25221657
NPT163 Individual Protein Nuclear factor NF-kappa-B p105 subunit Homo sapiens Potency 19952.6 nM PubChem BioAssay data set
NPT74 Individual Protein Proto-oncogene c-JUN Homo sapiens Potency 26832.5 nM PubChem BioAssay data set
NPT2 Others Unspecified AC50 31622.8 nM PubChem BioAssay data set
NPT74 Individual Protein Proto-oncogene c-JUN Homo sapiens Potency 14125.4 nM PubChem BioAssay data set
NPT2 Others Unspecified Potency 11985.6 nM PubChem BioAssay data set
NPT2 Others Unspecified Potency 26832.5 nM PubChem BioAssay data set
NPT2 Others Unspecified Potency 37578 nM PubChem BioAssay data set
NPT2 Others Unspecified IC50 8100.1 nM PubChem BioAssay data set
NPT2 Others Unspecified Potency 15715.2 nM PubChem BioAssay data set
NPT2 Others Unspecified Potency 23710.1 nM PubChem BioAssay data set
NPT2 Others Unspecified IC50 10000 nM PubChem BioAssay data set
NPT2 Others Unspecified IC50 2553.3 nM PubChem BioAssay data set
NPT2 Others Unspecified IC50 21287.5 nM PubChem BioAssay data set
NPT2 Others Unspecified AC50 15848.9 nM PubChem BioAssay data set
NPT2 Others Unspecified AC50 25118.9 nM PubChem BioAssay data set
NPT2 Others Unspecified AC50 14125.4 nM PubChem BioAssay data set
NPT2 Others Unspecified AC50 7079.5 nM PubChem BioAssay data set
NPT790 Organism Mycobacterium tuberculosis H37Rv Mycobacterium tuberculosis H37Rv MIC = 10 ug/ml 25771110
NPT2 Others Unspecified Activity = 16.3 % 25778993
NPT16 Organism Staphylococcus aureus Staphylococcus aureus MIC = 0.391 ug/ml 26343826
NPT5160 Individual Protein Enoyl-[acyl-carrier-protein] reductase [NADPH] Staphylococcus aureus IC50 = 440 nM 26343826
NPT2 Others Unspecified Inhibition > 99 % 26580979
NPT2 Others Unspecified IC50 = 1000 nM 10.1039/C5MD00178A

  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 NPC205213 and all remaining natural products in the NPASS database.
●  The right table: Most similar natural products (Tc>=0.56 or Top200).

Similarity Score Similarity Level Natural Product ID
0.813 Intermediate Similarity NPC204617
0.811 Intermediate Similarity NPC235370
0.776 Intermediate Similarity NPC161768
0.774 Intermediate Similarity NPC56379
0.7672 Intermediate Similarity NPC314803
0.7611 Intermediate Similarity NPC322888
0.7444 Intermediate Similarity NPC8058
0.7429 Intermediate Similarity NPC72636
0.7429 Intermediate Similarity NPC258837
0.7429 Intermediate Similarity NPC45134
0.7407 Intermediate Similarity NPC246991
0.7328 Intermediate Similarity NPC114325
0.7304 Intermediate Similarity NPC174048
0.7246 Intermediate Similarity NPC139335
0.7174 Intermediate Similarity NPC193334
0.7077 Intermediate Similarity NPC86947
0.7023 Intermediate Similarity NPC191194
0.6991 Remote Similarity NPC33756
0.6991 Remote Similarity NPC38459
0.697 Remote Similarity NPC86007
0.697 Remote Similarity NPC44270
0.696 Remote Similarity NPC175931
0.6947 Remote Similarity NPC151617
0.6947 Remote Similarity NPC76915
0.6935 Remote Similarity NPC307875
0.6923 Remote Similarity NPC318429
0.6894 Remote Similarity NPC104124
0.6875 Remote Similarity NPC475423
0.6866 Remote Similarity NPC196371
0.6866 Remote Similarity NPC47769
0.6866 Remote Similarity NPC299939
0.6866 Remote Similarity NPC226737
0.6866 Remote Similarity NPC153580
0.6842 Remote Similarity NPC125306
0.6842 Remote Similarity NPC214289
0.6818 Remote Similarity NPC9248
0.6815 Remote Similarity NPC127389
0.6815 Remote Similarity NPC290451
0.681 Remote Similarity NPC206876
0.6803 Remote Similarity NPC182475
0.6794 Remote Similarity NPC244403
0.6791 Remote Similarity NPC41232
0.6791 Remote Similarity NPC63317
0.6788 Remote Similarity NPC33402
0.6765 Remote Similarity NPC25134
0.6765 Remote Similarity NPC175520
0.6765 Remote Similarity NPC159866
0.6765 Remote Similarity NPC97157
0.6765 Remote Similarity NPC295879
0.6765 Remote Similarity NPC64130
0.6741 Remote Similarity NPC205850
0.6741 Remote Similarity NPC170824
0.6719 Remote Similarity NPC7097
0.6719 Remote Similarity NPC36108
0.6719 Remote Similarity NPC233731
0.6719 Remote Similarity NPC246358
0.6693 Remote Similarity NPC124712
0.6692 Remote Similarity NPC293619
0.6691 Remote Similarity NPC173511
0.6691 Remote Similarity NPC88733
0.6691 Remote Similarity NPC474375
0.6691 Remote Similarity NPC42644
0.6691 Remote Similarity NPC137922
0.6691 Remote Similarity NPC145780
0.6691 Remote Similarity NPC40302
0.6667 Remote Similarity NPC228972
0.6667 Remote Similarity NPC74478
0.6667 Remote Similarity NPC122792
0.6642 Remote Similarity NPC105147
0.6642 Remote Similarity NPC228875
0.6642 Remote Similarity NPC470626
0.6642 Remote Similarity NPC126216
0.6642 Remote Similarity NPC15350
0.6641 Remote Similarity NPC91452
0.6637 Remote Similarity NPC204932
0.6619 Remote Similarity NPC194519
0.6619 Remote Similarity NPC3221
0.6619 Remote Similarity NPC87113
0.6618 Remote Similarity NPC307253
0.6615 Remote Similarity NPC8547
0.6615 Remote Similarity NPC156840
0.6615 Remote Similarity NPC173746
0.6615 Remote Similarity NPC139617
0.6615 Remote Similarity NPC195873
0.6615 Remote Similarity NPC257124
0.6615 Remote Similarity NPC78918
0.6614 Remote Similarity NPC41594
0.6599 Remote Similarity NPC86087
0.6594 Remote Similarity NPC197576
0.6594 Remote Similarity NPC68350
0.6594 Remote Similarity NPC81149
0.6594 Remote Similarity NPC230013
0.6594 Remote Similarity NPC131940
0.6593 Remote Similarity NPC281298
0.6593 Remote Similarity NPC310338
0.6571 Remote Similarity NPC304630
0.6571 Remote Similarity NPC178284
0.6571 Remote Similarity NPC156854
0.6571 Remote Similarity NPC134431
0.6571 Remote Similarity NPC58607
0.6571 Remote Similarity NPC191037
0.6571 Remote Similarity NPC17837
0.6547 Remote Similarity NPC48990
0.6547 Remote Similarity NPC114901
0.6547 Remote Similarity NPC293701
0.6544 Remote Similarity NPC247364
0.6544 Remote Similarity NPC227217
0.6544 Remote Similarity NPC61516
0.6544 Remote Similarity NPC117780
0.6544 Remote Similarity NPC56214
0.6544 Remote Similarity NPC95614
0.6544 Remote Similarity NPC10932
0.6544 Remote Similarity NPC232084
0.6544 Remote Similarity NPC232316
0.6544 Remote Similarity NPC165133
0.6544 Remote Similarity NPC242885
0.6532 Remote Similarity NPC307039
0.6532 Remote Similarity NPC132725
0.6525 Remote Similarity NPC111247
0.6525 Remote Similarity NPC50368
0.6525 Remote Similarity NPC183181
0.6525 Remote Similarity NPC470699
0.6525 Remote Similarity NPC41706
0.6525 Remote Similarity NPC319625
0.6525 Remote Similarity NPC210355
0.6525 Remote Similarity NPC147821
0.6525 Remote Similarity NPC292056
0.6525 Remote Similarity NPC163332
0.6525 Remote Similarity NPC118787
0.6522 Remote Similarity NPC151237
0.6522 Remote Similarity NPC27198
0.6512 Remote Similarity NPC146096
0.6496 Remote Similarity NPC207613
0.6496 Remote Similarity NPC109083
0.6496 Remote Similarity NPC189844
0.6496 Remote Similarity NPC14007
0.6496 Remote Similarity NPC224814
0.6496 Remote Similarity NPC60962
0.6496 Remote Similarity NPC269843
0.6489 Remote Similarity NPC55300
0.6484 Remote Similarity NPC232654
0.6479 Remote Similarity NPC72529
0.6479 Remote Similarity NPC226661
0.6475 Remote Similarity NPC31344
0.6475 Remote Similarity NPC317769
0.6471 Remote Similarity NPC157213
0.6454 Remote Similarity NPC45728
0.6454 Remote Similarity NPC110677
0.6454 Remote Similarity NPC181361
0.6449 Remote Similarity NPC54872
0.6449 Remote Similarity NPC473853
0.6449 Remote Similarity NPC113865
0.6449 Remote Similarity NPC324571
0.6449 Remote Similarity NPC38996
0.6449 Remote Similarity NPC262156
0.6449 Remote Similarity NPC470212
0.6449 Remote Similarity NPC343720
0.6449 Remote Similarity NPC184651
0.6449 Remote Similarity NPC160380
0.6449 Remote Similarity NPC312675
0.6443 Remote Similarity NPC252901
0.6439 Remote Similarity NPC165646
0.6434 Remote Similarity NPC210655
0.6434 Remote Similarity NPC241354
0.6434 Remote Similarity NPC5851
0.6434 Remote Similarity NPC86030
0.6429 Remote Similarity NPC109822
0.6429 Remote Similarity NPC94276
0.6429 Remote Similarity NPC221090
0.6429 Remote Similarity NPC246704
0.6423 Remote Similarity NPC67791
0.6423 Remote Similarity NPC2058
0.6417 Remote Similarity NPC63479
0.6414 Remote Similarity NPC76453
0.6408 Remote Similarity NPC216836
0.6403 Remote Similarity NPC71090
0.6403 Remote Similarity NPC473411
0.6403 Remote Similarity NPC41562
0.6403 Remote Similarity NPC71579
0.6403 Remote Similarity NPC85488
0.6403 Remote Similarity NPC262253
0.6397 Remote Similarity NPC228907
0.6389 Remote Similarity NPC178301
0.6389 Remote Similarity NPC91291
0.6389 Remote Similarity NPC472338
0.6383 Remote Similarity NPC289459
0.637 Remote Similarity NPC221049
0.6364 Remote Similarity NPC266932
0.6364 Remote Similarity NPC226331
0.6364 Remote Similarity NPC46274
0.6357 Remote Similarity NPC95168
0.6357 Remote Similarity NPC18984
0.6357 Remote Similarity NPC121115
0.6357 Remote Similarity NPC192810
0.6357 Remote Similarity NPC228922
0.6357 Remote Similarity NPC280704
0.6357 Remote Similarity NPC197757
0.6357 Remote Similarity NPC106659
0.6357 Remote Similarity NPC160900
0.6357 Remote Similarity NPC229084

  Similar Clinical/Approved Drugs

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

●  The left chart: Distribution of similarity level between NPC205213 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 NPD915 Approved
0.7863 Intermediate Similarity NPD9501 Approved
0.7815 Intermediate Similarity NPD9552 Approved
0.746 Intermediate Similarity NPD9685 Approved
0.7328 Intermediate Similarity NPD9296 Approved
0.7319 Intermediate Similarity NPD1184 Approved
0.7188 Intermediate Similarity NPD191 Approved
0.7176 Intermediate Similarity NPD1010 Approved
0.7111 Intermediate Similarity NPD9549 Phase 2
0.7107 Intermediate Similarity NPD291 Approved
0.6991 Remote Similarity NPD9073 Approved
0.6953 Remote Similarity NPD769 Approved
0.6923 Remote Similarity NPD9365 Approved
0.6846 Remote Similarity NPD911 Approved
0.6643 Remote Similarity NPD454 Approved
0.6615 Remote Similarity NPD228 Approved
0.6614 Remote Similarity NPD968 Approved
0.6601 Remote Similarity NPD2370 Clinical (unspecified phase)
0.6589 Remote Similarity NPD556 Approved
0.6544 Remote Similarity NPD6516 Phase 2
0.6544 Remote Similarity NPD5846 Approved
0.6522 Remote Similarity NPD1157 Approved
0.6471 Remote Similarity NPD9295 Approved
0.6462 Remote Similarity NPD910 Approved
0.6424 Remote Similarity NPD4873 Discontinued
0.64 Remote Similarity NPD1338 Clinical (unspecified phase)
0.6395 Remote Similarity NPD4537 Clinical (unspecified phase)
0.6395 Remote Similarity NPD4536 Approved
0.6395 Remote Similarity NPD4538 Approved
0.6364 Remote Similarity NPD1529 Clinical (unspecified phase)
0.6357 Remote Similarity NPD4379 Clinical (unspecified phase)
0.6351 Remote Similarity NPD5960 Phase 3
0.6351 Remote Similarity NPD5588 Approved
0.6343 Remote Similarity NPD1476 Clinical (unspecified phase)
0.6343 Remote Similarity NPD9299 Approved
0.6309 Remote Similarity NPD1501 Clinical (unspecified phase)
0.6308 Remote Similarity NPD290 Approved
0.6301 Remote Similarity NPD1558 Phase 1
0.6294 Remote Similarity NPD1530 Clinical (unspecified phase)
0.6291 Remote Similarity NPD1416 Approved
0.625 Remote Similarity NPD9094 Approved
0.6225 Remote Similarity NPD5958 Discontinued
0.6225 Remote Similarity NPD4534 Discontinued
0.619 Remote Similarity NPD1613 Approved
0.619 Remote Similarity NPD1612 Clinical (unspecified phase)
0.6154 Remote Similarity NPD987 Approved
0.6144 Remote Similarity NPD4535 Phase 3
0.6136 Remote Similarity NPD2684 Approved
0.6115 Remote Similarity NPD1798 Approved
0.6115 Remote Similarity NPD1797 Approved
0.6104 Remote Similarity NPD2354 Approved
0.6096 Remote Similarity NPD2598 Clinical (unspecified phase)
0.6096 Remote Similarity NPD3027 Phase 3
0.609 Remote Similarity NPD5451 Approved
0.6078 Remote Similarity NPD4487 Clinical (unspecified phase)
0.6065 Remote Similarity NPD5058 Phase 3
0.6062 Remote Similarity NPD958 Approved
0.6043 Remote Similarity NPD1548 Phase 1
0.6039 Remote Similarity NPD3367 Clinical (unspecified phase)
0.6029 Remote Similarity NPD5283 Phase 1
0.6026 Remote Similarity NPD3260 Discontinued
0.6018 Remote Similarity NPD9087 Approved
0.6 Remote Similarity NPD9500 Approved
0.5971 Remote Similarity NPD1103 Approved
0.5971 Remote Similarity NPD1102 Approved
0.5971 Remote Similarity NPD1408 Clinical (unspecified phase)
0.5957 Remote Similarity NPD4589 Approved
0.5956 Remote Similarity NPD7843 Approved
0.5948 Remote Similarity NPD9088 Approved
0.5948 Remote Similarity NPD469 Approved
0.5948 Remote Similarity NPD470 Approved
0.5942 Remote Similarity NPD6671 Approved
0.5909 Remote Similarity NPD2808 Discontinued
0.5887 Remote Similarity NPD1357 Approved
0.5875 Remote Similarity NPD957 Approved
0.5874 Remote Similarity NPD1610 Phase 2
0.5874 Remote Similarity NPD1091 Approved
0.5874 Remote Similarity NPD1535 Discovery
0.586 Remote Similarity NPD6815 Approved
0.5857 Remote Similarity NPD5536 Phase 2
0.5852 Remote Similarity NPD3022 Approved
0.5852 Remote Similarity NPD3021 Approved
0.585 Remote Similarity NPD9494 Approved
0.5849 Remote Similarity NPD1940 Clinical (unspecified phase)
0.5844 Remote Similarity NPD2355 Clinical (unspecified phase)
0.5844 Remote Similarity NPD2353 Approved
0.5838 Remote Similarity NPD3303 Discontinued
0.5833 Remote Similarity NPD1481 Phase 2
0.5827 Remote Similarity NPD7157 Approved
0.5822 Remote Similarity NPD3827 Clinical (unspecified phase)
0.582 Remote Similarity NPD6447 Clinical (unspecified phase)
0.5816 Remote Similarity NPD7534 Approved
0.5816 Remote Similarity NPD7533 Approved
0.5808 Remote Similarity NPD3365 Discontinued
0.5804 Remote Similarity NPD155 Clinical (unspecified phase)
0.5802 Remote Similarity NPD1714 Approved
0.5802 Remote Similarity NPD1715 Phase 1
0.5793 Remote Similarity NPD3465 Clinical (unspecified phase)
0.5793 Remote Similarity NPD6583 Phase 3
0.5793 Remote Similarity NPD6582 Phase 2
0.5789 Remote Similarity NPD9697 Approved
0.5776 Remote Similarity NPD1972 Approved
0.5776 Remote Similarity NPD1973 Approved
0.5776 Remote Similarity NPD1969 Clinical (unspecified phase)
0.5762 Remote Similarity NPD3619 Clinical (unspecified phase)
0.5762 Remote Similarity NPD3463 Discontinued
0.5762 Remote Similarity NPD4060 Phase 1
0.5762 Remote Similarity NPD3620 Phase 2
0.575 Remote Similarity NPD9089 Approved
0.5743 Remote Similarity NPD2250 Discontinued
0.5743 Remote Similarity NPD1285 Clinical (unspecified phase)
0.5742 Remote Similarity NPD2377 Approved
0.5742 Remote Similarity NPD2376 Approved
0.5742 Remote Similarity NPD2378 Approved
0.5733 Remote Similarity NPD3144 Approved
0.5733 Remote Similarity NPD3145 Approved
0.5732 Remote Similarity NPD4018 Clinical (unspecified phase)
0.5725 Remote Similarity NPD821 Approved
0.5725 Remote Similarity NPD5535 Approved
0.5714 Remote Similarity NPD1203 Approved
0.5705 Remote Similarity NPD5752 Clinical (unspecified phase)
0.5705 Remote Similarity NPD3537 Clinical (unspecified phase)
0.5704 Remote Similarity NPD1894 Discontinued
0.5703 Remote Similarity NPD2933 Approved
0.5703 Remote Similarity NPD2934 Approved
0.5698 Remote Similarity NPD5132 Clinical (unspecified phase)
0.5696 Remote Similarity NPD3887 Approved
0.5695 Remote Similarity NPD2674 Phase 3
0.5687 Remote Similarity NPD1578 Phase 2
0.5685 Remote Similarity NPD6539 Approved
0.5685 Remote Similarity NPD6540 Phase 3
0.5685 Remote Similarity NPD6543 Approved
0.5685 Remote Similarity NPD4359 Approved
0.5685 Remote Similarity NPD6542 Approved
0.5685 Remote Similarity NPD2983 Phase 2
0.5685 Remote Similarity NPD2982 Phase 2
0.5676 Remote Similarity NPD6584 Phase 3
0.5674 Remote Similarity NPD694 Clinical (unspecified phase)
0.5667 Remote Similarity NPD9093 Approved
0.5667 Remote Similarity NPD7095 Approved
0.5659 Remote Similarity NPD2860 Approved
0.5659 Remote Similarity NPD2859 Approved
0.5655 Remote Similarity NPD422 Phase 1
0.5649 Remote Similarity NPD4978 Clinical (unspecified phase)
0.5646 Remote Similarity NPD6541 Approved
0.5646 Remote Similarity NPD6538 Approved
0.5646 Remote Similarity NPD3225 Approved
0.5644 Remote Similarity NPD6057 Approved
0.5644 Remote Similarity NPD1901 Discontinued
0.5644 Remote Similarity NPD6056 Approved
0.5638 Remote Similarity NPD2861 Phase 2
0.5638 Remote Similarity NPD5266 Clinical (unspecified phase)
0.5629 Remote Similarity NPD6798 Discontinued
0.5625 Remote Similarity NPD3936 Clinical (unspecified phase)
0.5625 Remote Similarity NPD7041 Phase 2
0.5625 Remote Similarity NPD7040 Clinical (unspecified phase)
0.5625 Remote Similarity NPD1511 Approved
0.5621 Remote Similarity NPD447 Suspended
0.5616 Remote Similarity NPD2235 Phase 2
0.5616 Remote Similarity NPD2981 Phase 2
0.5616 Remote Similarity NPD2231 Phase 2
0.5616 Remote Similarity NPD1608 Approved
0.561 Remote Similarity NPD4972 Discontinued
0.5608 Remote Similarity NPD2797 Approved
0.56 Remote Similarity NPD4908 Phase 1

Structure

External Identifiers

PubChem CID   5564
ChEMBL   CHEMBL849
ZINC  

Physicochemical Properties

Molecular Weight:  287.95
ALogP:  1.6185
MLogP:  2.23
XLogP:  4.009
# Rotatable Bonds:  6
Polar Surface Area:  29.46
# H-Bond Aceptor:  0
# H-Bond Donor:  1
# Rings:  2
# Heavy Atoms:  17

Download Data

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