Detailed information for compound 1350253

Basic information

Technical information
  • TDR Targets ID: 1350253
  • Name: N-[2-(4-methoxyphenyl)ethyl]-2-(6-thiophen-2- ylpyridazin-3-yl)sulfanylacetamide
  • MW: 385.503 | Formula: C19H19N3O2S2
  • H donors: 1 H acceptors: 3 LogP: 3.34 Rotable bonds: 9
    Rule of 5 violations (Lipinski): 1
  • SMILES: COc1ccc(cc1)CCNC(=O)CSc1ccc(nn1)c1cccs1
  • InChi: 1S/C19H19N3O2S2/c1-24-15-6-4-14(5-7-15)10-11-20-18(23)13-26-19-9-8-16(21-22-19)17-3-2-12-25-17/h2-9,12H,10-11,13H2,1H3,(H,20,23)
  • InChiKey: OQFKVSQDXVAMGV-UHFFFAOYSA-N  

Network

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Synonyms

  • N-[2-(4-methoxyphenyl)ethyl]-2-[6-(2-thienyl)pyridazin-3-yl]sulfanyl-acetamide
  • N-[2-(4-methoxyphenyl)ethyl]-2-[[6-(2-thienyl)-3-pyridazinyl]thio]acetamide
  • N-[2-(4-methoxyphenyl)ethyl]-2-[[6-(2-thienyl)pyridazin-3-yl]thio]acetamide
  • N-[2-(4-methoxyphenyl)ethyl]-2-(6-thiophen-2-ylpyridazin-3-yl)sulfanyl-ethanamide
  • MLS000621195
  • N-[2-(4-methoxyphenyl)ethyl]-2-[(6-thien-2-ylpyridazin-3-yl)thio]acetamide
  • SMR000310362

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Homo sapiens glycoprotein hormones, alpha polypeptide Starlite/ChEMBL No references
Schistosoma mansoni Thioredoxin glutathione reductase Starlite/ChEMBL No references

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Loa Loa (eye worm) glutathione reductase Get druggable targets OG5_126785 All targets in OG5_126785
Leishmania major trypanothione reductase Get druggable targets OG5_126785 All targets in OG5_126785
Trypanosoma brucei gambiense trypanothione reductase, putative Get druggable targets OG5_126785 All targets in OG5_126785
Plasmodium falciparum thioredoxin reductase Get druggable targets OG5_126785 All targets in OG5_126785
Trypanosoma congolense trypanothione reductase, putative Get druggable targets OG5_126785 All targets in OG5_126785
Plasmodium knowlesi glutathione reductase, putative Get druggable targets OG5_126785 All targets in OG5_126785
Leishmania donovani trypanothione reductase Get druggable targets OG5_126785 All targets in OG5_126785
Plasmodium knowlesi thioredoxin reductase, putative Get druggable targets OG5_126785 All targets in OG5_126785
Trypanosoma cruzi trypanothione reductase, putative Get druggable targets OG5_126785 All targets in OG5_126785
Cryptosporidium hominis thioredoxin reductase Get druggable targets OG5_126785 All targets in OG5_126785
Brugia malayi glutathione reductase Get druggable targets OG5_126785 All targets in OG5_126785
Brugia malayi Thioredoxin reductase Get druggable targets OG5_126785 All targets in OG5_126785
Plasmodium yoelii glutathione reductase Get druggable targets OG5_126785 All targets in OG5_126785
Loa Loa (eye worm) thioredoxin reductase Get druggable targets OG5_126785 All targets in OG5_126785
Echinococcus multilocularis thioredoxin glutathione reductase Get druggable targets OG5_126785 All targets in OG5_126785
Leishmania infantum trypanothione reductase Get druggable targets OG5_126785 All targets in OG5_126785
Leishmania braziliensis trypanothione reductase Get druggable targets OG5_126785 All targets in OG5_126785
Plasmodium yoelii thioredoxin reductase Get druggable targets OG5_126785 All targets in OG5_126785
Toxoplasma gondii thioredoxin reductase Get druggable targets OG5_126785 All targets in OG5_126785
Schistosoma japonicum ko:K00384 thioredoxin reductase (NADPH) [EC1.8.1.9], putative Get druggable targets OG5_126785 All targets in OG5_126785
Candida albicans similar to S. cerevisiae GLR1 (YPL091W) glutathione oxidoreductase Get druggable targets OG5_126785 All targets in OG5_126785
Plasmodium falciparum glutathione reductase Get druggable targets OG5_126785 All targets in OG5_126785
Echinococcus granulosus thioredoxin glutathione reductase Get druggable targets OG5_126785 All targets in OG5_126785
Theileria parva thioredoxin reductase, putative Get druggable targets OG5_126785 All targets in OG5_126785
Leishmania mexicana trypanothione reductase Get druggable targets OG5_126785 All targets in OG5_126785
Plasmodium vivax glutathione reductase, putative Get druggable targets OG5_126785 All targets in OG5_126785
Neospora caninum Glutathione reductase, related Get druggable targets OG5_126785 All targets in OG5_126785
Mycobacterium tuberculosis NADPH-dependent mycothiol reductase Mtr Get druggable targets OG5_126785 All targets in OG5_126785
Cryptosporidium parvum thioredoxin reductase 1 Get druggable targets OG5_126785 All targets in OG5_126785
Trypanosoma brucei trypanothione reductase Get druggable targets OG5_126785 All targets in OG5_126785
Babesia bovis thiodoxin reductase, putative Get druggable targets OG5_126785 All targets in OG5_126785
Neospora caninum MGC84926 protein, related Get druggable targets OG5_126785 All targets in OG5_126785
Plasmodium berghei glutathione reductase, putative Get druggable targets OG5_126785 All targets in OG5_126785
Plasmodium vivax thioredoxin reductase, putative Get druggable targets OG5_126785 All targets in OG5_126785
Candida albicans similar to S. cerevisiae GLR1 (YPL091W) glutathione oxidoreductase Get druggable targets OG5_126785 All targets in OG5_126785
Plasmodium berghei thioredoxin reductase, putative Get druggable targets OG5_126785 All targets in OG5_126785

By sequence similarity to non orthologous known druggable targets
Species Potential target Known druggable target Length Alignment span Identity
Neospora caninum Dihydrolipoyl dehydrogenase (EC 1.8.1.4), related Thioredoxin glutathione reductase   598 aa 512 aa 28.3 %
Toxoplasma gondii NADPH-glutathione reductase Thioredoxin glutathione reductase   598 aa 555 aa 33.5 %
Onchocerca volvulus Thioredoxin glutathione reductase   598 aa 533 aa 50.8 %
Neospora caninum glutathione reductase, putative Thioredoxin glutathione reductase   598 aa 532 aa 34.6 %
Plasmodium falciparum dihydrolipoyl dehydrogenase, apicoplast Thioredoxin glutathione reductase   598 aa 513 aa 25.0 %
Neospora caninum hypothetical protein Thioredoxin glutathione reductase   598 aa 485 aa 30.5 %
Plasmodium knowlesi dihydrolipoyl dehydrogenase, apicoplast, putative Thioredoxin glutathione reductase   598 aa 518 aa 22.0 %
Plasmodium vivax dihydrolipoyl dehydrogenase, apicoplast, putative Thioredoxin glutathione reductase   598 aa 521 aa 21.5 %
Plasmodium berghei dihydrolipoyl dehydrogenase, apicoplast, putative Thioredoxin glutathione reductase   598 aa 538 aa 25.3 %
Plasmodium yoelii dihydrolipoamide dehydrogenase Thioredoxin glutathione reductase   598 aa 537 aa 24.2 %
Toxoplasma gondii intraflagellar transport protein 172, putative glycoprotein hormones, alpha polypeptide 116 aa 94 aa 26.6 %

Obtained from network model

Ranking Plot


Putative Targets List


Species Potential target Raw Global Species
Giardia lamblia ABC transporter, putative 0.0069 0.3113 1
Leishmania major p-glycoprotein 0.0176 1 1
Echinococcus granulosus ATP binding cassette subfamily B MDR:TAP 0.0176 1 1
Toxoplasma gondii ABC transporter, putative 0.0057 0.2391 0.0903
Leishmania major ATP-binding cassette protein subfamily C, member 8, putative 0.0057 0.2391 0.0903
Echinococcus granulosus potassium voltage gated channel subfamily H 0.0027 0.045 0.045
Echinococcus multilocularis ATP binding cassette subfamily B (MDR:TAP) 0.0176 1 1
Trichomonas vaginalis ATP-binding cassette transporter, putative 0.0176 1 1
Echinococcus multilocularis ATP binding cassette subfamily B (MDR:TAP) 0.0176 1 1
Loa Loa (eye worm) hypothetical protein 0.0057 0.2391 0.2391
Schistosoma mansoni multidrug resistance protein 0.0176 1 1
Trichomonas vaginalis ABC transporter, half transporter, putative 0.0176 1 1
Echinococcus granulosus multidrug resistance associated protein 1 0.0069 0.3113 0.3113
Trichomonas vaginalis lipid A export ATP-binding/permease protein msba, putative 0.0176 1 1
Schistosoma mansoni multidrug resistance protein 0.0069 0.3113 0.3113
Echinococcus multilocularis ATP binding cassette subfamily B (MDR:TAP) 0.0176 1 1
Plasmodium falciparum ABC transporter B family member 4, putative 0.0057 0.2391 0.0903
Brugia malayi ABC transporter transmembrane region family protein 0.0055 0.2262 0.2262
Trichomonas vaginalis lipid A export ATP-binding/permease protein msba, putative 0.0176 1 1
Loa Loa (eye worm) thioredoxin reductase 0.0046 0.1636 0.1636
Plasmodium vivax ABC transporter B family member 4, putative 0.0057 0.2391 0.0903
Brugia malayi ABC transporter transmembrane region family protein 0.0069 0.3113 0.3113
Trichomonas vaginalis conserved hypothetical protein 0.0055 0.2262 0.2262
Brugia malayi ABC transporter transmembrane region family protein 0.0057 0.2391 0.2391
Schistosoma mansoni ATP-binding cassette sub-family B member 6 mitochondrial precursor (abc6) 0.0055 0.2262 0.2262
Echinococcus multilocularis potassium voltage gated channel subfamily H 0.0027 0.045 0.045
Entamoeba histolytica P-glycoprotein-2 0.0176 1 1
Entamoeba histolytica P-glycoprotein-5 0.0176 1 1
Mycobacterium tuberculosis Probable dehydrogenase 0.0104 0.5386 0.4484
Plasmodium falciparum multidrug resistance protein 1 0.0176 1 1
Entamoeba histolytica ATP-binding cassette protein, putative 0.0069 0.3113 0.1099
Trichomonas vaginalis abcb9, putative 0.0176 1 1
Schistosoma mansoni multidrug resistance protein 0.0069 0.3113 0.3113
Brugia malayi ABC transporter family protein 0.0057 0.2391 0.2391
Trichomonas vaginalis ATP-binding cassette transporter, putative 0.0055 0.2262 0.2262
Leishmania major ATP-binding cassette protein subfamily C, member 6, putative 0.0069 0.3113 0.1766
Mycobacterium tuberculosis NAD(P)H quinone reductase LpdA 0.0116 0.6131 0.5375
Trichomonas vaginalis ABC transporter, putative 0.0176 1 1
Toxoplasma gondii ABC transporter transmembrane region domain-containing protein 0.0057 0.2391 0.0903
Onchocerca volvulus 0.0176 1 0.5
Leishmania major ATP-binding cassette protein subfamily B, member 3, putative 0.0057 0.2391 0.0903
Mycobacterium ulcerans transmembrane ABC transporter ATP-binding protein 0.0057 0.2391 0.5
Entamoeba histolytica P-glycoprotein-2 0.0176 1 1
Echinococcus multilocularis potassium voltage gated channel subfamily H 0.0081 0.3931 0.3931
Plasmodium falciparum multidrug resistance-associated protein 2 0.0057 0.2391 0.0903
Loa Loa (eye worm) glutathione reductase 0.0046 0.1636 0.1636
Mycobacterium tuberculosis Probable drugs-transport transmembrane ATP-binding protein ABC transporter 0.0057 0.2391 0.0903
Loa Loa (eye worm) hypothetical protein 0.0175 0.9934 0.9934
Echinococcus granulosus multidrug resistance protein 1 0.0121 0.6446 0.6446
Echinococcus multilocularis ATP binding cassette sub family B 0.0057 0.2391 0.2391
Loa Loa (eye worm) ABC transporter 0.0057 0.2391 0.2391
Schistosoma mansoni smdr2 0.0176 1 1
Leishmania major calcium channel protein, putative,ion transporter, putative 0.0083 0.4015 0.2844
Echinococcus multilocularis multidrug resistance protein 1 0.0121 0.6446 0.6446
Trichomonas vaginalis voltage and ligand gated potassium channel, putative 0.0071 0.3286 0.3286
Trichomonas vaginalis ATP-binding cassette transporter, putative 0.0176 1 1
Trypanosoma cruzi multidrug resistance protein E, putative 0.0069 0.3113 1
Brugia malayi Thioredoxin reductase 0.0046 0.1636 0.1636
Leishmania major ATP-binding cassette protein subfamily C, member 2, putative 0.0069 0.3113 0.1766
Loa Loa (eye worm) hypothetical protein 0.0175 0.9934 0.9934
Schistosoma mansoni voltage-gated potassium channel 0.0089 0.4381 0.4381
Schistosoma mansoni voltage-gated potassium channel 0.0027 0.045 0.045
Echinococcus granulosus ATP binding cassette sub family B 0.0057 0.2391 0.2391
Schistosoma mansoni multidrug resistance protein 0.0057 0.2391 0.2391
Mycobacterium tuberculosis Probable oxidoreductase 0.0116 0.6131 0.5375
Mycobacterium leprae DIHYDROLIPOAMIDE DEHYDROGENASE LPD (LIPOAMIDE REDUCTASE (NADH)) (LIPOYL DEHYDROGENASE) (DIHYDROLIPOYL DEHYDROGENASE) (DIAPHORASE 0.0116 0.6131 1
Entamoeba histolytica ATP-binding cassette protein, putative 0.0069 0.3113 0.1099
Loa Loa (eye worm) hypothetical protein 0.0175 0.9934 0.9934
Trypanosoma brucei p-glycoprotein 0.0069 0.3113 1
Loa Loa (eye worm) hypothetical protein 0.0067 0.2984 0.2984
Echinococcus multilocularis multidrug resistance protein 1 0.0176 1 1
Echinococcus multilocularis 0.0057 0.2391 0.2391
Echinococcus granulosus voltage gated sodium channel Nav1 alpha subunit 0.0083 0.4015 0.4015
Trichomonas vaginalis abcb9, putative 0.0176 1 1
Leishmania major ATP-binding cassette protein subfamily B, member 2, putative 0.0176 1 1
Loa Loa (eye worm) hypothetical protein 0.0071 0.3284 0.3284
Trypanosoma brucei ABC transporter, mitochondrial, putative 0.0057 0.2391 0.5113
Echinococcus multilocularis ATP binding cassette sub family B 0.0057 0.2391 0.2391
Leishmania major ATP-binding cassette protein subfamily C, member 5, putative 0.0069 0.3113 0.1766
Echinococcus multilocularis multidrug resistance protein 1 0.0176 1 1
Trichomonas vaginalis multidrug resistance protein 1, 2, putative 0.0176 1 1
Plasmodium falciparum ABC transporter B family member 5, putative 0.0057 0.2391 0.0903
Echinococcus granulosus multidrug resistance protein 1 0.0176 1 1
Schistosoma mansoni voltage-gated potassium channel 0.0089 0.4381 0.4381
Brugia malayi ABC transporter 0.0055 0.2262 0.2262
Mycobacterium ulcerans transmembrane ABC transporter ATP-binding protein 0.0057 0.2391 0.5
Trichomonas vaginalis ABC transporter, putative 0.0176 1 1
Plasmodium falciparum ABC transporter B family member 6, putative 0.0057 0.2391 0.0903
Trichomonas vaginalis multidrug resistance protein 1, 2, putative 0.0176 1 1
Entamoeba histolytica ABC transporter, putative 0.0069 0.3113 0.1099
Echinococcus granulosus multidrug resistance protein 1 0.0176 1 1
Wolbachia endosymbiont of Brugia malayi ABC-type protease secretion system, ATPase and permease component, AprD 0.0057 0.2391 0.5
Echinococcus multilocularis sodium channel protein 0.0083 0.4015 0.4015
Trichomonas vaginalis multidrug resistance protein 1, 2, putative 0.0176 1 1
Trypanosoma brucei multidrug resistance-associated protein, putative 0.0069 0.3113 1
Trypanosoma brucei multidrug resistance-associated protein, putative 0.0069 0.3113 1
Mycobacterium tuberculosis Putative ferredoxin reductase 0.0104 0.5386 0.4484
Trichomonas vaginalis ATP-binding cassette transporter, putative 0.0176 1 1
Brugia malayi ABC transporter family protein 0.0057 0.2391 0.2391
Schistosoma mansoni ATP-binding cassette sub-family B member 7 mitochondrial precursor (abc7) 0.0057 0.2391 0.2391
Loa Loa (eye worm) hypothetical protein 0.0069 0.3113 0.3113
Leishmania major p-glycoprotein e 0.0069 0.3113 0.1766
Echinococcus multilocularis voltage gated potassium channel 0.0027 0.045 0.045
Plasmodium vivax multidrug resistance-associated protein 2, putative 0.0057 0.2391 0.0903
Toxoplasma gondii ABC transporter transmembrane region domain-containing protein 0.0069 0.3113 0.1766
Mycobacterium leprae PROBABLE NADH DEHYDROGENASE NDH 0.0104 0.5386 0.8008
Brugia malayi ABC transporter family protein 0.0176 1 1
Entamoeba histolytica multidrug resistance protein, putative 0.0069 0.3113 0.1099
Echinococcus multilocularis ATP binding cassette sub family B 0.0057 0.2391 0.2391
Plasmodium vivax ABC transporter B family member 6, putative 0.0057 0.2391 0.0903
Plasmodium vivax multidrug resistance protein 1, putative 0.0176 1 1
Giardia lamblia Multidrug resistance-associated protein 1 0.0069 0.3113 1
Leishmania major ATP-binding cassette protein subfamily C, member 1, putative 0.0069 0.3113 0.1766
Schistosoma mansoni multidrug resistance protein 0.0069 0.3113 0.3113
Loa Loa (eye worm) hypothetical protein 0.0055 0.2262 0.2262
Brugia malayi Voltage-gated potassium channel, EAG (KCNH1)-related. C. elegans egl-2 ortholog 0.0027 0.045 0.045
Mycobacterium ulcerans component linked with the assembly of cytochrome transport transmembrane ATP-binding protein ABC transporter CydD 0.0057 0.2391 0.5
Echinococcus multilocularis ATP binding cassette sub family B 0.0174 0.9872 0.9872
Trypanosoma brucei multidrug resistance protein E 0.0069 0.3113 1
Loa Loa (eye worm) ABC transporter 0.0057 0.2391 0.2391
Toxoplasma gondii hypothetical protein 0.0175 0.9934 0.9921
Echinococcus granulosus multidrug resistance associated protein 7 0.0069 0.3113 0.3113
Echinococcus multilocularis multidrug resistance associated protein 1 0.0069 0.3113 0.3113
Mycobacterium tuberculosis Probable NADH dehydrogenase Ndh 0.0104 0.5386 0.4484
Loa Loa (eye worm) inward rectifying k channel family protein 1 0.0175 0.9934 0.9934
Plasmodium vivax ABC transporter B family member 7, putative 0.0057 0.2391 0.0903
Trichomonas vaginalis ATP-binding cassette transporter, putative 0.0121 0.6446 0.6446
Trichomonas vaginalis lipid A export ATP-binding/permease protein msba, putative 0.0176 1 1
Toxoplasma gondii ABC transporter family protein 0.0057 0.2391 0.0903
Plasmodium vivax ABC transporter B family member 3, putative 0.0057 0.2391 0.0903
Trypanosoma brucei ABC transporter of the mitochondrion, putative 0.0057 0.2391 0.5113
Trichomonas vaginalis multidrug resistance protein 1, 2, putative 0.0176 1 1
Entamoeba histolytica P-glycoprotein 5, putative 0.0176 1 1
Brugia malayi Voltage-gated potassium channel, HERG (KCNH2)-related. C. elegans unc-103 ortholog 0.0081 0.3931 0.3931
Loa Loa (eye worm) ATP-binding cassette sub-family B member 2 0.0176 1 1
Leishmania major ABC-thiol transporter 0.0069 0.3113 0.1766
Mycobacterium ulcerans transmembrane ABC transporter ATP-binding protein 0.0057 0.2391 0.5
Trypanosoma cruzi ABC transporter of the mitochondrion, putative 0.0057 0.2391 0.5113
Trypanosoma cruzi multidrug resistance-associated protein, putative 0.0069 0.3113 1
Plasmodium falciparum multidrug resistance protein 2 0.0057 0.2391 0.0903
Leishmania major pentamidine resistance protein 1 0.0069 0.3113 0.1766
Echinococcus granulosus ATP binding cassette sub family B 0.0057 0.2391 0.2391
Schistosoma mansoni multidrug resistance protein 0.0176 1 1
Brugia malayi P-glycoprotein-like protein 0.0057 0.2391 0.2391
Echinococcus multilocularis multidrug resistance associated protein 7 0.0069 0.3113 0.3113
Entamoeba histolytica P-glycoprotein-2, putative 0.0176 1 1
Entamoeba histolytica P-glycoprotein 6, putative 0.0057 0.2391 0.0166
Echinococcus granulosus ATP binding cassette sub family B 0.0055 0.2262 0.2262
Trichomonas vaginalis ATP-binding cassette transporter, putative 0.0055 0.2262 0.2262
Trypanosoma cruzi ABC transporter, mitochondrial, putative 0.0057 0.2391 0.5113
Wolbachia endosymbiont of Brugia malayi ABC-type multidrug transport system, ATPase and permease component 0.0057 0.2391 0.5
Trichomonas vaginalis lipid A export ATP-binding/permease protein msba, putative 0.0176 1 1
Echinococcus granulosus 5'partial|ATP binding cassette sub family B 0.0174 0.9872 0.9872
Toxoplasma gondii ABC transporter transmembrane region domain-containing protein 0.0057 0.2391 0.0903
Schistosoma mansoni voltage-gated potassium channel 0.0027 0.045 0.045
Trichomonas vaginalis lipid A export ATP-binding/permease protein msba, putative 0.0057 0.2391 0.2391
Leishmania major ATP-binding cassette protein subfamily B, member 1, putative 0.0057 0.2391 0.0903
Echinococcus granulosus thioredoxin glutathione reductase 0.0046 0.1675 0.1675
Entamoeba histolytica ATP-binding cassette protein, putative 0.0069 0.3113 0.1099
Trichomonas vaginalis multidrug resistance protein 1, 2, putative 0.0176 1 1
Mycobacterium tuberculosis Probable nitrite reductase [NAD(P)H] large subunit [FAD flavoprotein] NirB 0.0104 0.5386 0.4484
Toxoplasma gondii ABC transporter transmembrane region domain-containing protein 0.0057 0.2391 0.0903
Loa Loa (eye worm) hypothetical protein 0.0069 0.3113 0.3113
Trichomonas vaginalis multidrug resistance protein 1, 2, putative 0.0176 1 1
Echinococcus multilocularis thioredoxin glutathione reductase 0.0046 0.1675 0.1675
Brugia malayi ABC transporter family protein 0.0057 0.2391 0.2391
Mycobacterium tuberculosis Iron-regulated transporter IrtA 0.0057 0.2391 0.0903
Trichomonas vaginalis multidrug resistance protein 1, 2, putative 0.0055 0.2262 0.2262
Loa Loa (eye worm) multidrug resistance protein 3 0.0176 1 1
Mycobacterium tuberculosis Probable transmembrane multidrug efflux pump 0.0176 1 1
Giardia lamblia MRP-like ABC transporter 0.0069 0.3113 1
Brugia malayi ABC transporter 0.0057 0.2391 0.2391
Toxoplasma gondii ATP-binding cassette transporter ABC.B1 0.0176 1 1
Loa Loa (eye worm) hypothetical protein 0.0174 0.9872 0.9872
Trypanosoma cruzi multidrug resistance-associated protein, putative 0.0069 0.3113 1
Mycobacterium ulcerans drugs-transport transmembrane ATP-binding protein ABC transporter 0.0057 0.2391 0.5
Plasmodium vivax multidrug resistance-associated protein 1, putative 0.0057 0.2391 0.0903
Echinococcus granulosus voltage gated potassium channel 0.0027 0.045 0.045
Mycobacterium tuberculosis Probable membrane NADH dehydrogenase NdhA 0.0104 0.5386 0.4484
Entamoeba histolytica P-glycoprotein-1 0.0176 1 1
Echinococcus granulosus multidrug resistance protein 1 0.0176 1 1
Plasmodium vivax multidrug resistance protein 2, putative 0.0057 0.2391 0.0903
Giardia lamblia Multidrug resistance-associated protein 1 0.0069 0.3113 1
Entamoeba histolytica P-glycoprotein 6, putative 0.0057 0.2391 0.0166
Trichomonas vaginalis abcb9, putative 0.0176 1 1
Mycobacterium tuberculosis Dihydrolipoamide dehydrogenase LpdC (lipoamide reductase (NADH)) (lipoyl dehydrogenase) (dihydrolipoyl dehydrogenase) (diaphoras 0.0116 0.6131 0.5375
Trichomonas vaginalis multidrug resistance protein 1, 2, putative 0.0176 1 1
Trichomonas vaginalis lipid A export ATP-binding/permease protein msba, putative 0.0176 1 1
Trichomonas vaginalis ABC transporter, half transporter, putative 0.0176 1 1
Chlamydia trachomatis ABC transporter ATP binding protein/permease 0.0176 1 0.5
Trichomonas vaginalis ABC transporter, putative 0.0176 1 1
Toxoplasma gondii ABC transporter transmembrane region domain-containing protein 0.0057 0.2391 0.0903
Loa Loa (eye worm) ABC transporter 0.0057 0.2391 0.2391
Entamoeba histolytica hypothetical protein 0.0069 0.3113 0.1099
Brugia malayi multidrug resistance related protein 1 0.0069 0.3113 0.3113
Schistosoma mansoni smdr1 0.0057 0.2391 0.2391
Trichomonas vaginalis ABC transporter, putative 0.0176 1 1
Plasmodium falciparum ABC transporter B family member 7, putative 0.0057 0.2391 0.0903
Plasmodium falciparum ABC transporter B family member 3, putative 0.0057 0.2391 0.0903
Brugia malayi multidrug Resistance Protein family member (mrp-5), putative 0.0057 0.2391 0.2391
Trichomonas vaginalis lipid A export ATP-binding/permease protein msba, putative 0.0176 1 1
Echinococcus multilocularis ATP binding cassette sub family B 0.0057 0.2391 0.2391
Echinococcus granulosus ATP binding cassette subfamily B MDR:TAP 0.0176 1 1
Echinococcus granulosus multidrug resistance protein 1 0.0121 0.6446 0.6446
Brugia malayi hypothetical protein 0.0057 0.2391 0.2391
Entamoeba histolytica P-glyco protein 6, putative 0.0176 1 1
Schistosoma mansoni multidrug resistance protein 0.0055 0.2262 0.2262
Trichomonas vaginalis lipid A export ATP-binding/permease protein msba, putative 0.0176 1 1
Echinococcus granulosus potassium voltage gated channel subfamily H 0.0081 0.3931 0.3931
Mycobacterium tuberculosis Probable reductase 0.0104 0.5386 0.4484
Plasmodium vivax ABC transporter B family member 5, putative 0.0057 0.2391 0.0903
Loa Loa (eye worm) ABC transporter transmembrane region family protein 0.0069 0.3113 0.3113
Trichomonas vaginalis lipid A export ATP-binding/permease protein msba, putative 0.0176 1 1
Toxoplasma gondii ATP-binding cassette sub-family B member 5 0.0057 0.2391 0.0903
Echinococcus granulosus ATP binding cassette subfamily B MDR:TAP 0.0176 1 1
Brugia malayi glutathione reductase 0.0046 0.1636 0.1636
Toxoplasma gondii ABC transporter transmembrane region domain-containing protein 0.0176 1 1
Schistosoma mansoni multidrug resistance protein 0.0069 0.3113 0.3113
Echinococcus granulosus ATP binding cassette subfamily B MDR:TAP 0.0176 1 1
Loa Loa (eye worm) hypothetical protein 0.0027 0.045 0.045
Trichomonas vaginalis ATP-binding cassette transporter, putative 0.0176 1 1
Trichomonas vaginalis ATP-binding cassette transporter, putative 0.0176 1 1
Plasmodium falciparum multidrug resistance-associated protein 1 0.0057 0.2391 0.0903
Entamoeba histolytica ATP-binding cassette protein, putative 0.0069 0.3113 0.1099
Loa Loa (eye worm) hypothetical protein 0.0176 1 1
Schistosoma mansoni multidrug resistance protein 0.0176 1 1
Echinococcus granulosus sodium channel protein 0.0083 0.4015 0.4015
Loa Loa (eye worm) hypothetical protein 0.0176 1 1
Giardia lamblia Multidrug resistance-associated protein 1 0.0067 0.2984 0.849
Trichomonas vaginalis voltage and ligand gated potassium channel, putative 0.0071 0.3286 0.3286
Trichomonas vaginalis taga, putative 0.0176 1 1
Loa Loa (eye worm) voltage and ligand gated potassium channel 0.0081 0.3931 0.3931
Echinococcus multilocularis ATP binding cassette subfamily B (MDR:TAP) 0.0176 1 1
Toxoplasma gondii ABC transporter transmembrane region domain-containing protein 0.0057 0.2391 0.0903
Echinococcus multilocularis ATP binding cassette subfamily B (MDR:TAP) 0.0176 1 1

Activities

Activity type Activity value Assay description Source Reference
Potency (functional) 1 uM PubChem BioAssay. qHTS for Activators of Integrin-Mediated Alleviation for Muscular Dystrophy. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) = 1.7783 um PUBCHEM_BIOASSAY: qHTS Assay for the Inhibitors of Schistosoma Mansoni Peroxiredoxins. (Class of assay: confirmatory) [Related pubchem assays: 1011 (Confirmation Concentration-Response Assay for Inhibitors of the Schistosoma mansoni Redox Cascade ), 448 (Schistosoma Mansoni Peroxiredoxins (Prx2) and thioredoxin glutathione reductase (TGR) coupled assay)] 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) 89.1251 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.
 
In any case, if you have information about papers containing relevant validation data for this target, please log in using your TDR Targets username and password and send them to us using the corresponding form in this page (only visible to registered users) or contact us.

External resources for this compound

Bibliographic References

No literature references available for this target.

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