Detailed information for compound 1409460

Basic information

Technical information
  • TDR Targets ID: 1409460
  • Name: N-(4-ethoxyphenyl)-N-ethyl-3-[[2-(1-oxoisoqui nolin-2-yl)acetyl]amino]propanamide
  • MW: 421.489 | Formula: C24H27N3O4
  • H donors: 1 H acceptors: 3 LogP: 2.56 Rotable bonds: 11
    Rule of 5 violations (Lipinski): 1
  • SMILES: CCOc1ccc(cc1)N(C(=O)CCNC(=O)Cn1ccc2c(c1=O)cccc2)CC
  • InChi: 1S/C24H27N3O4/c1-3-27(19-9-11-20(12-10-19)31-4-2)23(29)13-15-25-22(28)17-26-16-14-18-7-5-6-8-21(18)24(26)30/h5-12,14,16H,3-4,13,15,17H2,1-2H3,(H,25,28)
  • InChiKey: XLUYJEPMHQQMDI-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

  • N-(4-ethoxyphenyl)-N-ethyl-3-[[2-(1-oxo-2-isoquinolyl)acetyl]amino]propanamide
  • N-(4-ethoxyphenyl)-N-ethyl-3-[[1-oxo-2-(1-oxo-2-isoquinolyl)ethyl]amino]propanamide
  • N-(4-ethoxyphenyl)-N-ethyl-3-[[2-(1-keto-2-isoquinolyl)acetyl]amino]propionamide
  • N-(4-ethoxyphenyl)-N-ethyl-3-[2-(1-oxoisoquinolin-2-yl)ethanoylamino]propanamide
  • MLS000519935
  • SMR000130350

Targets

Known targets for this compound

No curated genes were found associated with this compound

Predicted pathogen targets for this compound

By orthology
No druggable targets predicted by orthology data
By sequence similarity to non orthologous known druggable targets
No druggable targets predicted by sequence similarity
Obtained from network model

Ranking Plot

Putative Targets List

Species Potential target Raw Global Species
Trypanosoma cruzi PAB1-binding protein , putative 0.0025 0.0398 0.024
Echinococcus granulosus eukaryotic initiation factor 4A 0.0254 0.7119 1
Echinococcus granulosus cathepsin d lysosomal aspartyl protease 0.0035 0.0698 0.0981
Trichomonas vaginalis sphingomyelin synthetase, putative 0.0019 0.0235 0.0004
Brugia malayi Phosphatidylcholine:ceramide cholinephosphotransferase 3 0.0019 0.0235 0.0133
Trichomonas vaginalis ABC transporter, putative 0.0073 0.1814 0.2297
Treponema pallidum ATP-dependent RNA helicase 0.0254 0.7119 1
Toxoplasma gondii ABC transporter family protein 0.0023 0.0345 0.016
Schistosoma mansoni multidrug resistance protein 0.0023 0.0345 0.0485
Plasmodium falciparum multidrug resistance-associated protein 1 0.0023 0.0345 0.016
Echinococcus granulosus ATP binding cassette sub family B 0.0022 0.0322 0.0452
Brugia malayi Phosphatidylcholine:ceramide cholinephosphotransferase 1 0.0019 0.0235 0.0133
Plasmodium vivax RNA helicase-1, putative 0.0254 0.7119 1
Entamoeba histolytica P-glycoprotein 6, putative 0.0023 0.0345 0.0115
Schistosoma mansoni DEAD box ATP-dependent RNA helicase 0.0254 0.7119 1
Loa Loa (eye worm) hypothetical protein 0.0254 0.7119 1
Trypanosoma cruzi multidrug resistance-associated protein, putative 0.0023 0.0345 0.0163
Echinococcus granulosus ATP binding cassette subfamily B MDR:TAP 0.0073 0.1814 0.2548
Trichomonas vaginalis DEAD box ATP-dependent RNA helicase, putative 0.0254 0.7119 1
Chlamydia trachomatis ribonucleoside-diphosphate reductase subunit alpha 0.0221 0.6154 1
Trypanosoma cruzi Eukaryotic initiation factor 4A-1 0.0254 0.7119 1
Schistosoma mansoni spingomyelin synthetase-related 0.0019 0.0235 0.033
Trypanosoma brucei sphingomyelin/ceramide phosphorylethanolamine synthase, bifunctional 0.0181 0.4974 0.6962
Trypanosoma cruzi PAB1-binding protein , putative 0.0025 0.0398 0.024
Loa Loa (eye worm) ribonucleoside-diphosphate reductase large subunit 0.0221 0.6154 0.8599
Toxoplasma gondii ABC transporter, putative 0.0023 0.0345 0.016
Trypanosoma brucei sphingomyelin/ceramide phosphorylethanolamine synthase, bifunctional 0.0181 0.4974 0.6962
Trichomonas vaginalis DEAD box ATP-dependent RNA helicase, putative 0.0254 0.7119 1
Leishmania major ribonucleoside-diphosphate reductase large chain, putative 0.0221 0.6154 0.8599
Echinococcus multilocularis ATP binding cassette subfamily B (MDR:TAP) 0.0073 0.1814 0.2548
Plasmodium falciparum ataxin-2 like protein, putative 0.0025 0.0398 0.0237
Brugia malayi P-glycoprotein-like protein 0.0023 0.0345 0.0291
Trypanosoma brucei DNA polymerase kappa, putative 0.0019 0.0233 0.0245
Entamoeba histolytica ATP-binding cassette protein, putative 0.0023 0.0345 0.0115
Echinococcus granulosus ribonucleoside diphosphate reductase large 0.0221 0.6154 0.8645
Toxoplasma gondii ATP-binding cassette sub-family B member 5 0.0023 0.0345 0.016
Trichomonas vaginalis lipid A export ATP-binding/permease protein msba, putative 0.0073 0.1814 0.2297
Trichomonas vaginalis ABC transporter, putative 0.0073 0.1814 0.2297
Plasmodium falciparum ataxin-2 like protein, putative 0.0025 0.0398 0.0237
Echinococcus granulosus multidrug resistance protein 1 0.0051 0.1169 0.1642
Leishmania major p-glycoprotein 0.0073 0.1814 0.2297
Leishmania major ATP-binding cassette protein subfamily B, member 1, putative 0.0023 0.0345 0.0163
Trypanosoma brucei DNA polymerase kappa, putative 0.0019 0.0233 0.0245
Entamoeba histolytica hypothetical protein 0.0019 0.0235 0.0003
Brugia malayi ABC transporter family protein 0.0023 0.0345 0.0291
Loa Loa (eye worm) hypothetical protein 0.0019 0.0235 0.0004
Toxoplasma gondii ABC transporter transmembrane region domain-containing protein 0.0023 0.0345 0.016
Giardia lamblia Multidrug resistance-associated protein 1 0.0022 0.0322 0.0129
Brugia malayi Sphingomyelin synthase-related 1 0.0019 0.0235 0.0133
Schistosoma mansoni smdr1 0.0023 0.0345 0.0485
Schistosoma mansoni multidrug resistance protein 0.0023 0.0345 0.0485
Loa Loa (eye worm) ABC transporter transmembrane region family protein 0.0023 0.0345 0.0163
Mycobacterium tuberculosis Iron-regulated transporter IrtA 0.0023 0.0345 0.0163
Entamoeba histolytica ATP-binding cassette protein, putative 0.0023 0.0345 0.0115
Trypanosoma brucei unspecified product 0.0019 0.0233 0.0245
Echinococcus granulosus multidrug resistance protein 1 0.0073 0.1814 0.2548
Echinococcus granulosus ATP binding cassette subfamily B MDR:TAP 0.0073 0.1814 0.2548
Echinococcus granulosus multidrug resistance protein 1 0.0073 0.1814 0.2548
Echinococcus multilocularis multidrug resistance protein 1 0.0051 0.1169 0.1642
Brugia malayi ABC transporter 0.0023 0.0345 0.0291
Plasmodium falciparum plasmepsin II 0.0035 0.0698 0.0673
Schistosoma mansoni terminal deoxycytidyl transferase 0.0019 0.0233 0.0327
Loa Loa (eye worm) hypothetical protein 0.0019 0.0235 0.0004
Schistosoma mansoni DEAD box ATP-dependent RNA helicase 0.0254 0.7119 1
Brugia malayi ABC transporter family protein 0.0023 0.0345 0.0291
Trypanosoma brucei DNA polymerase kappa, putative 0.0019 0.0233 0.0245
Echinococcus granulosus ATP binding cassette subfamily B MDR:TAP 0.0073 0.1814 0.2548
Mycobacterium ulcerans ribonucleotide-diphosphate reductase subunit alpha 0.0221 0.6154 1
Plasmodium falciparum plasmepsin I 0.0035 0.0698 0.0673
Plasmodium falciparum eukaryotic initiation factor 4A 0.0254 0.7119 1
Leishmania major phosphatidylcholine:ceramide cholinephosphotransferase 2 0.0181 0.4974 0.6886
Mycobacterium ulcerans drugs-transport transmembrane ATP-binding protein ABC transporter 0.0023 0.0345 0.019
Brugia malayi ABC transporter 0.0022 0.0322 0.0257
Echinococcus granulosus multidrug resistance protein 1 0.0073 0.1814 0.2548
Trypanosoma brucei DNA repair and recombination helicase protein PIF6 0.0027 0.0462 0.057
Echinococcus multilocularis eukaryotic initiation factor 4A 0.0254 0.7119 1
Plasmodium vivax multidrug resistance-associated protein 1, putative 0.0023 0.0345 0.016
Trypanosoma cruzi sphingomyelin/ceramide phosphorylethanolamine synthase, bifunctional 0.0181 0.4974 0.6886
Leishmania major ATP-binding cassette protein subfamily C, member 8, putative 0.0023 0.0345 0.0163
Entamoeba histolytica P-glycoprotein-2, putative 0.0022 0.0322 0.0091
Entamoeba histolytica P-glycoprotein-1 0.0073 0.1814 0.1619
Trichomonas vaginalis multidrug resistance protein 1, 2, putative 0.0073 0.1814 0.2297
Leishmania major ATP-binding cassette protein subfamily B, member 3, putative 0.0023 0.0345 0.0163
Trichomonas vaginalis hypothetical protein 0.0019 0.0235 0.0004
Toxoplasma gondii ribonucleoside-diphosphate reductase large chain 0.0221 0.6154 0.8598
Trypanosoma cruzi ABC transporter of the mitochondrion, putative 0.0023 0.0345 0.0163
Echinococcus granulosus terminal deoxycytidyl transferase rev1 0.0019 0.0233 0.0327
Plasmodium vivax ABC transporter B family member 6, putative 0.0023 0.0345 0.016
Plasmodium vivax ribonucleoside-diphosphate reductase large chain, putative 0.0221 0.6154 0.8598
Toxoplasma gondii ABC transporter transmembrane region domain-containing protein 0.0023 0.0345 0.016
Trichomonas vaginalis ABC transporter, putative 0.0073 0.1814 0.2297
Brugia malayi ABC transporter transmembrane region family protein 0.0022 0.0322 0.0257
Trypanosoma cruzi multidrug resistance-associated protein, putative 0.0023 0.0345 0.0163
Plasmodium vivax ABC transporter B family member 5, putative 0.0023 0.0345 0.016
Plasmodium falciparum ABC transporter B family member 7, putative 0.0023 0.0345 0.016
Trichomonas vaginalis ATP-binding cassette transporter, putative 0.0022 0.0322 0.0129
Plasmodium falciparum plasmepsin IV 0.0035 0.0698 0.0673
Leishmania major eukaryotic initiation factor 4a, putative 0.0254 0.7119 1
Trypanosoma brucei DNA polymerase kappa, putative 0.0019 0.0233 0.0245
Echinococcus granulosus ATP dependent DNA helicase PIF1 0.0027 0.0462 0.0649
Entamoeba histolytica multidrug resistance protein, putative 0.0023 0.0345 0.0115
Toxoplasma gondii aspartyl proteinase (eimepsin), putative 0.0035 0.0698 0.0673
Leishmania major p-glycoprotein e 0.0023 0.0345 0.0163
Entamoeba histolytica P-glycoprotein-2 0.0073 0.1814 0.1619
Loa Loa (eye worm) hypothetical protein 0.0035 0.0698 0.0676
Echinococcus granulosus dna polymerase eta 0.0019 0.0233 0.0327
Trichomonas vaginalis ribonucleoside-diphosphate reductase alpha chain, putative 0.0221 0.6154 0.8599
Trichomonas vaginalis ATP-binding cassette transporter, putative 0.0073 0.1814 0.2297
Trypanosoma brucei DNA polymerase kappa, putative 0.0019 0.0233 0.0245
Loa Loa (eye worm) multidrug resistance protein 3 0.0073 0.1814 0.2297
Trichomonas vaginalis multidrug resistance protein 1, 2, putative 0.0073 0.1814 0.2297
Trichomonas vaginalis conserved hypothetical protein 0.0027 0.0462 0.0333
Trichomonas vaginalis multidrug resistance protein 1, 2, putative 0.0073 0.1814 0.2297
Brugia malayi ImpB/MucB/SamB family protein 0.0019 0.0233 0.013
Giardia lamblia ABC transporter, putative 0.0023 0.0345 0.0163
Schistosoma mansoni ribonucleoside-diphosphate reductase alpha subunit 0.0221 0.6154 0.8645
Brugia malayi Phosphatidylcholine:ceramide cholinephosphotransferase 1 0.0019 0.0235 0.0133
Echinococcus multilocularis multidrug resistance protein 1 0.0073 0.1814 0.2548
Toxoplasma gondii ABC transporter transmembrane region domain-containing protein 0.0073 0.1814 0.2294
Schistosoma mansoni multidrug resistance protein 0.0023 0.0345 0.0485
Entamoeba histolytica hypothetical protein 0.0019 0.0235 0.0003
Mycobacterium tuberculosis Ribonucleoside-diphosphate reductase (alpha chain) NrdE (ribonucleotide reductase small subunit) (R1F protein) 0.0221 0.6154 0.8599
Schistosoma mansoni ATP-binding cassette sub-family B member 7 mitochondrial precursor (abc7) 0.0023 0.0345 0.0485
Trichomonas vaginalis lipid A export ATP-binding/permease protein msba, putative 0.0073 0.1814 0.2297
Trypanosoma cruzi ABC transporter, mitochondrial, putative 0.0023 0.0345 0.0163
Plasmodium vivax aspartyl proteinase, putative 0.0035 0.0698 0.0673
Echinococcus granulosus multidrug resistance associated protein 7 0.0023 0.0345 0.0485
Echinococcus granulosus multidrug resistance associated protein 1 0.0023 0.0345 0.0485
Mycobacterium ulcerans component linked with the assembly of cytochrome transport transmembrane ATP-binding protein ABC transporter CydD 0.0023 0.0345 0.019
Entamoeba histolytica P-glycoprotein-5 0.0073 0.1814 0.1619
Plasmodium falciparum ABC transporter B family member 3, putative 0.0023 0.0345 0.016
Giardia lamblia Translation initiation factor eIF-4A, putative 0.0254 0.7119 1
Trypanosoma cruzi Eukaryotic initiation factor 4A-1 0.0254 0.7119 1
Trypanosoma brucei ABC transporter, mitochondrial, putative 0.0023 0.0345 0.0404
Trichomonas vaginalis lipid A export ATP-binding/permease protein msba, putative 0.0073 0.1814 0.2297
Brugia malayi multidrug resistance related protein 1 0.0023 0.0345 0.0291
Echinococcus multilocularis ATP binding cassette subfamily B (MDR:TAP) 0.0073 0.1814 0.2548
Echinococcus multilocularis ATP binding cassette subfamily B (MDR:TAP) 0.0073 0.1814 0.2548
Plasmodium vivax multidrug resistance protein 1, putative 0.0073 0.1814 0.2294
Trypanosoma brucei p-glycoprotein 0.0023 0.0345 0.0404
Trichomonas vaginalis multidrug resistance protein 1, 2, putative 0.0073 0.1814 0.2297
Trypanosoma cruzi ribonucleoside-diphosphate reductase large chain, putative 0.0221 0.6154 0.8599
Trypanosoma cruzi DNA repair and recombination helicase protein PIF6, putative 0.0027 0.0462 0.0333
Entamoeba histolytica hypothetical protein, conserved 0.0027 0.0462 0.0235
Trichomonas vaginalis ABC transporter, half transporter, putative 0.0073 0.1814 0.2297
Trypanosoma brucei inositol phosphorylceramide synthase 0.0019 0.0235 0.0248
Loa Loa (eye worm) hypothetical protein 0.0072 0.1791 0.2263
Mycobacterium tuberculosis Probable drugs-transport transmembrane ATP-binding protein ABC transporter 0.0023 0.0345 0.0163
Trypanosoma cruzi DNA repair and recombination helicase protein PIF7, putative 0.0027 0.0462 0.0333
Trichomonas vaginalis lipid A export ATP-binding/permease protein msba, putative 0.0073 0.1814 0.2297
Trypanosoma brucei DNA polymerase eta, putative 0.0019 0.0233 0.0245
Plasmodium vivax ABC transporter B family member 7, putative 0.0023 0.0345 0.016
Toxoplasma gondii ABC transporter transmembrane region domain-containing protein 0.0023 0.0345 0.016
Schistosoma mansoni multidrug resistance protein 0.0023 0.0345 0.0485
Entamoeba histolytica hypothetical protein 0.0019 0.0235 0.0003
Trypanosoma cruzi DNA repair and recombination helicase protein PIF7, putative 0.0027 0.0462 0.0333
Leishmania major ATP-binding cassette protein subfamily C, member 1, putative 0.0023 0.0345 0.0163
Loa Loa (eye worm) hypothetical protein 0.0019 0.0235 0.0004
Trypanosoma brucei DNA polymerase kappa, putative 0.0019 0.0233 0.0245
Loa Loa (eye worm) hypothetical protein 0.0073 0.1814 0.2297
Trichomonas vaginalis lipid A export ATP-binding/permease protein msba, putative 0.0073 0.1814 0.2297
Loa Loa (eye worm) hypothetical protein 0.0073 0.1814 0.2297
Plasmodium vivax multidrug resistance protein 2, putative 0.0023 0.0345 0.016
Trichomonas vaginalis ATP-binding cassette transporter, putative 0.0051 0.1169 0.1359
Schistosoma mansoni rab geranylgeranyl transferase alpha subunit 0.0019 0.0233 0.0327
Echinococcus multilocularis ATP binding cassette sub family B 0.0023 0.0345 0.0485
Entamoeba histolytica P-glycoprotein 5, putative 0.0022 0.0322 0.0091
Giardia lamblia Multidrug resistance-associated protein Mrp2 0.0022 0.0322 0.0129
Plasmodium vivax multidrug resistance-associated protein 2, putative 0.0023 0.0345 0.016
Echinococcus multilocularis sphingomyelin synthase protein 1 0.0019 0.0235 0.033
Echinococcus multilocularis ATP binding cassette sub family B 0.0072 0.1791 0.2516
Leishmania major PIF1 helicase-like protein, putative,DNA repair and recombination protein, mitochondrial precursor, putative 0.0027 0.0462 0.0333
Plasmodium falciparum multidrug resistance protein 1 0.0073 0.1814 0.2294
Trypanosoma brucei DNA polymerase kappa, putative 0.0019 0.0233 0.0245
Plasmodium falciparum ABC transporter B family member 4, putative 0.0023 0.0345 0.016
Echinococcus multilocularis multidrug resistance associated protein 7 0.0023 0.0345 0.0485
Entamoeba histolytica hypothetical protein 0.0019 0.0235 0.0003
Loa Loa (eye worm) ATP-binding cassette sub-family B member 2 0.0073 0.1814 0.2297
Entamoeba histolytica ATP-binding cassette protein, putative 0.0023 0.0345 0.0115
Entamoeba histolytica P-glycoprotein-2, putative 0.0073 0.1814 0.1619
Echinococcus multilocularis ATP binding cassette subfamily B (MDR:TAP) 0.0073 0.1814 0.2548
Leishmania major ATP-binding cassette protein subfamily C, member 2, putative 0.0023 0.0345 0.0163
Giardia lamblia MRP-like ABC transporter 0.0023 0.0345 0.0163
Echinococcus granulosus ATP binding cassette subfamily B MDR:TAP 0.0073 0.1814 0.2548
Trichomonas vaginalis multidrug resistance protein 1, 2, putative 0.0073 0.1814 0.2297
Echinococcus multilocularis eukaryotic initiation factor 4A III 0.0254 0.7119 1
Trypanosoma brucei multidrug resistance protein E 0.0023 0.0345 0.0404
Toxoplasma gondii aspartyl protease ASP1 0.0035 0.0698 0.0673
Brugia malayi ABC transporter family protein 0.0023 0.0345 0.0291
Trichomonas vaginalis DEAD box ATP-dependent RNA helicase, putative 0.0254 0.7119 1
Schistosoma mansoni subfamily A1A unassigned peptidase (A01 family) 0.0035 0.0698 0.0981
Trichomonas vaginalis sphingomyelin synthetase, putative 0.0019 0.0235 0.0004
Trypanosoma brucei RNA helicase, putative 0.0087 0.2221 0.3061
Mycobacterium tuberculosis Probable cold-shock DeaD-box protein A homolog DeaD (ATP-dependent RNA helicase dead homolog) 0.0254 0.7119 1
Loa Loa (eye worm) hypothetical protein 0.0022 0.0322 0.0129
Echinococcus granulosus sphingomyelin synthase protein 1 0.0019 0.0235 0.033
Echinococcus multilocularis multidrug resistance associated protein 1 0.0023 0.0345 0.0485
Trichomonas vaginalis lipid A export ATP-binding/permease protein msba, putative 0.0023 0.0345 0.0163
Loa Loa (eye worm) ABC transporter 0.0023 0.0345 0.0163
Schistosoma mansoni multidrug resistance protein 0.0022 0.0322 0.0452
Trichomonas vaginalis abcb9, putative 0.0073 0.1814 0.2297
Trypanosoma brucei ceramide phosphorylethanolamine synthase 0.0019 0.0235 0.0248
Toxoplasma gondii LsmAD domain-containing protein 0.0025 0.0398 0.0237
Leishmania major hypothetical protein, conserved 0.0025 0.0398 0.024
Schistosoma mansoni multidrug resistance protein 0.0073 0.1814 0.2548
Mycobacterium ulcerans transmembrane ABC transporter ATP-binding protein 0.0023 0.0345 0.019
Trypanosoma brucei DNA polymerase IV, putative 0.0019 0.0233 0.0245
Brugia malayi ribonucleoside-diphosphate reductase large chain, putative 0.0221 0.6154 0.8617
Trypanosoma brucei multidrug resistance-associated protein, putative 0.0023 0.0345 0.0404
Mycobacterium ulcerans transmembrane ABC transporter ATP-binding protein 0.0023 0.0345 0.019
Entamoeba histolytica hypothetical membrane-spanning protein 0.0019 0.0235 0.0003
Schistosoma mansoni multidrug resistance protein 0.0073 0.1814 0.2548
Echinococcus multilocularis ATP dependent DNA helicase PIF1 0.0027 0.0462 0.0649
Echinococcus multilocularis 0.0023 0.0345 0.0485
Loa Loa (eye worm) hypothetical protein 0.0022 0.0322 0.0129
Trichomonas vaginalis conserved hypothetical protein 0.0022 0.0322 0.0129
Schistosoma mansoni family A2 unassigned peptidase (A02 family) 0.0039 0.0807 0.1134
Trichomonas vaginalis Clan AA, family A1, cathepsin D-like aspartic peptidase 0.0035 0.0698 0.0676
Entamoeba histolytica P-glycoprotein 6, putative 0.0023 0.0345 0.0115
Echinococcus granulosus ATP binding cassette sub family B 0.0023 0.0345 0.0485
Entamoeba histolytica hypothetical protein 0.0019 0.0235 0.0003
Toxoplasma gondii eukaryotic initiation factor-4A, putative 0.0254 0.7119 1
Entamoeba histolytica hypothetical protein 0.0023 0.0345 0.0115
Onchocerca volvulus Eukaryotic initiation factor 4A homolog 0.0254 0.7119 1
Schistosoma mansoni hypothetical protein 0.0027 0.0462 0.0649
Schistosoma mansoni cathepsin D (A01 family) 0.0103 0.269 0.3778
Schistosoma mansoni multidrug resistance protein 0.0073 0.1814 0.2548
Brugia malayi eukaryotic initiation factor 4A 0.0254 0.7119 1
Brugia malayi hypothetical protein 0.0023 0.0345 0.0291
Trichomonas vaginalis ATP-binding cassette transporter, putative 0.0022 0.0322 0.0129
Loa Loa (eye worm) ABC transporter 0.0023 0.0345 0.0163
Trichomonas vaginalis multidrug resistance protein 1, 2, putative 0.0073 0.1814 0.2297
Brugia malayi ImpB/MucB/SamB family protein 0.0019 0.0233 0.013
Brugia malayi Phosphatidylcholine:ceramide cholinephosphotransferase 2 0.0019 0.0235 0.0133
Trypanosoma cruzi sphingomyelin/ceramide phosphorylethanolamine synthase, bifunctional 0.0181 0.4974 0.6886
Trypanosoma brucei DNA polymerase kappa, putative 0.0019 0.0233 0.0245
Brugia malayi ABC transporter family protein 0.0073 0.1814 0.2397
Echinococcus multilocularis multidrug resistance protein 1 0.0073 0.1814 0.2548
Leishmania major ATP-binding cassette protein subfamily B, member 2, putative 0.0073 0.1814 0.2297
Brugia malayi multidrug Resistance Protein family member (mrp-5), putative 0.0023 0.0345 0.0291
Giardia lamblia Hypothetical protein 0.0022 0.0322 0.0129
Echinococcus granulosus 5'partial|ATP binding cassette sub family B 0.0072 0.1791 0.2516
Plasmodium falciparum plasmepsin VI 0.0035 0.0698 0.0673
Plasmodium vivax ABC transporter B family member 4, putative 0.0023 0.0345 0.016
Plasmodium falciparum multidrug resistance-associated protein 2 0.0023 0.0345 0.016
Schistosoma mansoni multidrug resistance protein 0.0023 0.0345 0.0485
Entamoeba histolytica P-glycoprotein 5, putative 0.0073 0.1814 0.1619
Brugia malayi ABC transporter transmembrane region family protein 0.0023 0.0345 0.0291
Trichomonas vaginalis lipid A export ATP-binding/permease protein msba, putative 0.0073 0.1814 0.2297
Trypanosoma brucei PAB1-binding protein , putative 0.0025 0.0398 0.0479
Trypanosoma cruzi ribonucleoside-diphosphate reductase large chain, putative 0.0068 0.1663 0.2078
Trichomonas vaginalis ATP-binding cassette transporter, putative 0.0073 0.1814 0.2297
Loa Loa (eye worm) hypothetical protein 0.0023 0.0345 0.0163
Trypanosoma brucei DNA polymerase kappa, putative 0.0019 0.0233 0.0245
Leishmania major ATP-binding cassette protein subfamily C, member 6, putative 0.0023 0.0345 0.0163
Echinococcus multilocularis ribonucleoside diphosphate reductase large 0.0221 0.6154 0.8645
Mycobacterium tuberculosis Probable ribonucleoside-diphosphate reductase (large subunit) NrdZ (ribonucleotide reductase) 0.008 0.2005 0.2574
Brugia malayi multidrug resistance protein 3 0.0073 0.1814 0.2397
Plasmodium falciparum ABC transporter B family member 6, putative 0.0023 0.0345 0.016
Toxoplasma gondii ABC transporter transmembrane region domain-containing protein 0.0023 0.0345 0.016
Trichomonas vaginalis abcb9, putative 0.0073 0.1814 0.2297
Trichomonas vaginalis sphingomyelin synthetase, putative 0.0019 0.0235 0.0004
Entamoeba histolytica P-glycoprotein-2 0.0073 0.1814 0.1619
Loa Loa (eye worm) ABC transporter 0.0023 0.0345 0.0163
Trichomonas vaginalis ABC transporter, putative 0.0073 0.1814 0.2297
Entamoeba histolytica ATP-binding cassette protein, putative 0.0023 0.0345 0.0115
Trichomonas vaginalis ATP-binding cassette transporter, putative 0.0073 0.1814 0.2297
Plasmodium vivax plasmepsin IV, putative 0.0035 0.0698 0.0673
Leishmania major ATP-binding cassette protein subfamily C, member 5, putative 0.0023 0.0345 0.0163
Loa Loa (eye worm) hypothetical protein 0.0019 0.0235 0.0004
Trypanosoma cruzi multidrug resistance protein E, putative 0.0023 0.0345 0.0163
Loa Loa (eye worm) hypothetical protein 0.0025 0.0398 0.024
Loa Loa (eye worm) hypothetical protein 0.0019 0.0235 0.0004
Plasmodium vivax ataxin-2 like protein, putative 0.0025 0.0398 0.0237
Echinococcus multilocularis cathepsin d (lysosomal aspartyl protease) 0.0035 0.0698 0.0981
Trypanosoma brucei multidrug resistance-associated protein, putative 0.0023 0.0345 0.0404
Trichomonas vaginalis ABC transporter, half transporter, putative 0.0073 0.1814 0.2297
Loa Loa (eye worm) hypothetical protein 0.0023 0.0345 0.0163
Schistosoma mansoni cathepsin D (A01 family) 0.0103 0.269 0.3778
Leishmania major ABC-thiol transporter 0.0023 0.0345 0.0163
Plasmodium vivax ABC transporter B family member 3, putative 0.0023 0.0345 0.016
Echinococcus multilocularis ATP binding cassette subfamily B (MDR:TAP) 0.0073 0.1814 0.2548
Trypanosoma brucei ABC transporter of the mitochondrion, putative 0.0023 0.0345 0.0404
Leishmania major PIF1 helicase-like protein, putative,DNA repair and recombination protein, mitochondrial precursor, putative 0.0027 0.0462 0.0333
Giardia lamblia Rrm3p helicase 0.0027 0.0462 0.0333
Trypanosoma brucei DNA polymerase IV, putative 0.0019 0.0233 0.0245
Trichomonas vaginalis abcb9, putative 0.0073 0.1814 0.2297
Brugia malayi ABC transporter transmembrane region family protein 0.0023 0.0345 0.0291
Schistosoma mansoni ATP-binding cassette sub-family B member 6 mitochondrial precursor (abc6) 0.0022 0.0322 0.0452
Trypanosoma brucei DNA polymerase IV, putative 0.0019 0.0233 0.0245
Trichomonas vaginalis taga, putative 0.0073 0.1814 0.2297
Echinococcus multilocularis ATP binding cassette sub family B 0.0023 0.0345 0.0485
Plasmodium falciparum ribonucleoside-diphosphate reductase large subunit, putative 0.0221 0.6154 0.8598
Plasmodium falciparum multidrug resistance protein 2 0.0023 0.0345 0.016
Giardia lamblia Multidrug resistance-associated protein 1 0.0023 0.0345 0.0163
Trichomonas vaginalis sphingomyelin synthetase, putative 0.0019 0.0235 0.0004
Schistosoma mansoni intracisternal A-particle retropepsin (A02 family) 0.0039 0.0807 0.1134
Entamoeba histolytica DEAD/DEAH box helicase, putative 0.0254 0.7119 0.705
Mycobacterium tuberculosis Probable transmembrane multidrug efflux pump 0.0073 0.1814 0.2297
Trichomonas vaginalis multidrug resistance protein 1, 2, putative 0.0022 0.0322 0.0129
Trypanosoma brucei DNA polymerase kappa, putative 0.0019 0.0233 0.0245
Echinococcus multilocularis dna polymerase eta 0.0019 0.0233 0.0327
Brugia malayi hypothetical protein 0.0025 0.0398 0.0367
Trypanosoma brucei DNA repair and recombination helicase protein PIF7 0.0027 0.0462 0.057
Trichomonas vaginalis lipid A export ATP-binding/permease protein msba, putative 0.0073 0.1814 0.2297
Trypanosoma brucei ribonucleoside-diphosphate reductase large chain 0.0221 0.6154 0.8633
Echinococcus granulosus multidrug resistance protein 1 0.0051 0.1169 0.1642
Toxoplasma gondii ABC transporter transmembrane region domain-containing protein 0.0023 0.0345 0.016
Loa Loa (eye worm) aspartic protease BmAsp-2 0.0035 0.0698 0.0676
Trypanosoma brucei Eukaryotic initiation factor 4A-1 0.0254 0.7119 1
Entamoeba histolytica DNA repair and recombination protein, putative 0.0027 0.0462 0.0235
Echinococcus granulosus ATP binding cassette sub family B 0.0023 0.0345 0.0485
Trichomonas vaginalis ATP-binding cassette transporter, putative 0.0073 0.1814 0.2297
Echinococcus multilocularis ATP binding cassette sub family B 0.0023 0.0345 0.0485
Leishmania major pentamidine resistance protein 1 0.0023 0.0345 0.0163
Mycobacterium ulcerans transmembrane ABC transporter ATP-binding protein 0.0023 0.0345 0.019
Giardia lamblia Multidrug resistance-associated protein 1 0.0023 0.0345 0.0163
Brugia malayi Phosphatidylcholine:ceramide cholinephosphotransferase 2 0.0019 0.0235 0.0133
Schistosoma mansoni DNA polymerase eta 0.0019 0.0233 0.0327
Toxoplasma gondii ATP-binding cassette transporter ABC.B1 0.0073 0.1814 0.2294
Toxoplasma gondii ABC transporter transmembrane region domain-containing protein 0.0023 0.0345 0.016
Echinococcus multilocularis terminal deoxycytidyl transferase rev1 0.0019 0.0233 0.0327
Trichomonas vaginalis multidrug resistance protein 1, 2, putative 0.0073 0.1814 0.2297
Echinococcus multilocularis ATP binding cassette sub family B 0.0023 0.0345 0.0485
Schistosoma mansoni smdr2 0.0073 0.1814 0.2548
Loa Loa (eye worm) hypothetical protein 0.0019 0.0235 0.0004
Echinococcus granulosus dna polymerase kappa 0.0019 0.0233 0.0327
Entamoeba histolytica ABC transporter, putative 0.0023 0.0345 0.0115
Loa Loa (eye worm) hypothetical protein 0.0023 0.0345 0.0163
Plasmodium falciparum ABC transporter B family member 5, putative 0.0023 0.0345 0.016
Leishmania major eukaryotic initiation factor 4a, putative 0.0254 0.7119 1
Wolbachia endosymbiont of Brugia malayi ribonucleotide-diphosphate reductase subunit alpha 0.0221 0.6154 1
Echinococcus granulosus eukaryotic initiation factor 4A III 0.0254 0.7119 1
Echinococcus multilocularis dna polymerase kappa 0.0019 0.0233 0.0327
Trichomonas vaginalis ATP-binding cassette transporter, putative 0.0073 0.1814 0.2297
Trichomonas vaginalis conserved hypothetical protein 0.0019 0.0235 0.0004
Trichomonas vaginalis lipid A export ATP-binding/permease protein msba, putative 0.0073 0.1814 0.2297
Entamoeba histolytica P-glyco protein 6, putative 0.0073 0.1814 0.1619
Mycobacterium leprae RIBONUCLEOSIDE-DIPHOSPHATE REDUCTASE (ALPHA CHAIN) NRDE (RIBONUCLEOTIDE REDUCTASE SMALL SUBUNIT) (R1F PROTEIN) 0.0221 0.6154 1

Activities

Activity type Activity value Assay description Source Reference
Potency (functional) 18.526 uM PUBCHEM_BIOASSAY: Primary qHTS for delayed death inhibitors of the malarial parasite plastid, 96 hour incubation. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID488745, AID488752, AID488774, AID504848, AID504850] ChEMBL. No reference
Potency (functional) = 39.8107 um PUBCHEM_BIOASSAY: qHTS Inhibitors of AmpC Beta-Lactamase (assay with detergent). (Class of assay: confirmatory) [Related pubchem assays: 1002 (Confirmation Concentration-Response Assay for Inhibitors of AmpC Beta-Lactamase (assay with detergent)), 585 (Promiscuous and Specific Inhibitors of AmpC Beta-Lactamase (assay without detergent) - a screen old NIH MLSMR collection), 584 (Promiscuous and Specific Inhibitors of AmpC Beta-Lactamase (assay with detergent) - a screen of the old NIH MLSMR collection), 1003 (Confirmation Cuvette-Based Assay for Inhibitors of AmpC Beta-Lactamase (assay with detergent))] ChEMBL. No reference
Potency (functional) 44.6684 uM PubChem BioAssay. qHTS for Inhibitors of ATXN expression. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 89.1251 uM PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of Histone Lysine Methyltransferase G9a. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID504404] ChEMBL. No reference
Potency (functional) 100 uM PUBCHEM_BIOASSAY: qHTS for Inhibitors of Polymerase Iota. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID588623] ChEMBL. No reference

Phenotypes

Whole-cell/tissue/organism interactions

Species name Source Reference Is orphan
Plasmodium falciparum ChEMBL23

Many chemical entities in TDR Targets come from high-throughput screenings with whole cells or tissue samples, and not all assayed compounds have been tested against a single a single target protein, probably because they get ruled out during screening process. Even if these compounds may have not been of interest in the original screening, they may come as interesting leads for other screening assays. Furthermore, we may be able to propose drug-target associations using chemical similarities and network patterns.

Annotated phenotypes:

We have no manually annotated phenotypes for this drug. What does this mean? / Care to help?
In TDR Targets, information about phenotypes that are caused by drugs, or by genetic manipulation of cells (e.g. gene knockouts or knockdowns) is manually curated from the literature. These descriptions help to describe the potential of the target for drug development. If no information is available for this gene or if the information is incomplete, this may mean that i) the papers containing this information either appeared after the curation effort for this organism was carried out or they were inadvertently missed by curators; or that ii) the curation effort for this organism has not yet started.
 
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External resources for this compound

Bibliographic References

No literature references available for this target.

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