Detailed information for compound 803309

Basic information

Technical information
  • TDR Targets ID: 803309
  • Name: N-(4-ethoxyphenyl)-3-[[2-(1-oxoisoquinolin-2- yl)acetyl]amino]propanamide
  • MW: 393.436 | Formula: C22H23N3O4
  • H donors: 2 H acceptors: 3 LogP: 2.01 Rotable bonds: 10
    Rule of 5 violations (Lipinski): 1
  • SMILES: CCOc1ccc(cc1)NC(=O)CCNC(=O)Cn1ccc2c(c1=O)cccc2
  • InChi: 1S/C22H23N3O4/c1-2-29-18-9-7-17(8-10-18)24-20(26)11-13-23-21(27)15-25-14-12-16-5-3-4-6-19(16)22(25)28/h3-10,12,14H,2,11,13,15H2,1H3,(H,23,27)(H,24,26)
  • InChiKey: UCFQUSMOQDDXNG-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

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

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Homo sapiens RAB9A, member RAS oncogene family Starlite/ChEMBL No references

Predicted pathogen targets for this compound

By orthology
No druggable targets predicted by orthology data
By sequence similarity to non orthologous known druggable targets
Species Potential target Known druggable target Length Alignment span Identity
Plasmodium falciparum ras-related protein Rab-5B RAB9A, member RAS oncogene family 201 aa 165 aa 30.9 %
Obtained from network model

Ranking Plot

Putative Targets List

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

Activities

Activity type Activity value Assay description Source Reference
Potency (functional) = 1 um PUBCHEM_BIOASSAY: qHTS Assay for Rab9 Promoter Activators. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 11.6891 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) 31.6228 uM PubChem BioAssay. qHTS Assay for Activators of ClpP. (Class of assay: confirmatory) 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
Potency (functional) 125.8925 uM PubChem BioAssay. qHTS of PTHR Inhibitors: Primary Screen. (Class of assay: confirmatory) 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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