Detailed information for compound 803907

Basic information

Technical information
  • TDR Targets ID: 803907
  • Name: 3-(3-ethoxypropyl)-1-(4-methyl-2-pyrrolidin-1 -ylquinolin-6-yl)thiourea
  • MW: 372.528 | Formula: C20H28N4OS
  • H donors: 1 H acceptors: 1 LogP: 3.95 Rotable bonds: 8
    Rule of 5 violations (Lipinski): 1
  • SMILES: CCOCCCN=C(Nc1ccc2c(c1)c(C)cc(n2)N1CCCC1)S
  • InChi: 1S/C20H28N4OS/c1-3-25-12-6-9-21-20(26)22-16-7-8-18-17(14-16)15(2)13-19(23-18)24-10-4-5-11-24/h7-8,13-14H,3-6,9-12H2,1-2H3,(H2,21,22,26)
  • InChiKey: ZZMPTCXHHHRUIW-UHFFFAOYSA-N  


Substructure search Similarity search

Network

Hover on a compound node to display the structore

Synonyms

  • 3-(3-ethoxypropyl)-1-(4-methyl-2-pyrrolidin-1-yl-6-quinolyl)thiourea
  • 3-(3-ethoxypropyl)-1-(4-methyl-2-1-pyrrolidinyl-6-quinolyl)thiourea
  • 3-(3-ethoxypropyl)-1-(4-methyl-2-pyrrolidin-1-yl-quinolin-6-yl)thiourea
  • MLS000583132
  • N-(3-ethoxypropyl)-N'-(4-methyl-2-pyrrolidin-1-ylquinolin-6-yl)thiourea
  • SMR000206318

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Rattus norvegicus Thioredoxin reductase 1, cytoplasmic Starlite/ChEMBL No references
Homo sapiens ataxin 2 Starlite/ChEMBL No references
Homo sapiens glutaminase Starlite/ChEMBL No references
Homo sapiens survival of motor neuron 2, centromeric Starlite/ChEMBL No references
Homo sapiens geminin, DNA replication inhibitor Starlite/ChEMBL No references

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Mycobacterium tuberculosis NADPH-dependent mycothiol reductase Mtr Get druggable targets OG5_126785 All targets in OG5_126785
Brugia malayi hypothetical protein Get druggable targets OG5_132873 All targets in OG5_132873
Loa Loa (eye worm) glutaminase 2 Get druggable targets OG5_129245 All targets in OG5_129245
Plasmodium knowlesi thioredoxin 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 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 berghei glutathione reductase, putative 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
Leishmania braziliensis trypanothione 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
Mycobacterium ulcerans glutaminase Get druggable targets OG5_129245 All targets in OG5_129245
Leishmania mexicana trypanothione reductase 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
Echinococcus granulosus survival motor neuron protein 1 Get druggable targets OG5_132873 All targets in OG5_132873
Trypanosoma brucei trypanothione 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
Brugia malayi glutathione 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
Loa Loa (eye worm) thioredoxin reductase Get druggable targets OG5_126785 All targets in OG5_126785
Echinococcus multilocularis survival motor neuron protein 1 Get druggable targets OG5_132873 All targets in OG5_132873
Plasmodium falciparum thioredoxin reductase Get druggable targets OG5_126785 All targets in OG5_126785
Loa Loa (eye worm) glutaminase Get druggable targets OG5_129245 All targets in OG5_129245
Echinococcus granulosus thioredoxin glutathione reductase 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
Neospora caninum Glutathione reductase, related Get druggable targets OG5_126785 All targets in OG5_126785
Leishmania donovani trypanothione reductase Get druggable targets OG5_126785 All targets in OG5_126785
Brugia malayi glutaminase DH11.1 Get druggable targets OG5_129245 All targets in OG5_129245
Leishmania major trypanothione reductase 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
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
Trypanosoma cruzi trypanothione reductase, putative Get druggable targets OG5_126785 All targets in OG5_126785
Schistosoma mansoni glutaminase Get druggable targets OG5_129245 All targets in OG5_129245
Leishmania infantum 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
Plasmodium yoelii thioredoxin 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
Candida albicans similar to S. cerevisiae GLR1 (YPL091W) glutathione oxidoreductase Get druggable targets OG5_126785 All targets in OG5_126785
Trichomonas vaginalis glutaminase, putative Get druggable targets OG5_129245 All targets in OG5_129245
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_132873 All targets in OG5_132873
Theileria parva thioredoxin 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
Toxoplasma gondii thioredoxin 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
Loa Loa (eye worm) glutathione reductase 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
Leishmania mexicana acetoin dehydrogenase e3 component-like protein Thioredoxin reductase 1, cytoplasmic   499 aa 499 aa 24.4 %
Plasmodium yoelii dihydrolipoamide dehydrogenase Thioredoxin reductase 1, cytoplasmic   499 aa 540 aa 23.3 %
Toxoplasma gondii NADPH-glutathione reductase Thioredoxin reductase 1, cytoplasmic   499 aa 529 aa 31.8 %
Plasmodium vivax dihydrolipoyl dehydrogenase, apicoplast, putative Thioredoxin reductase 1, cytoplasmic   499 aa 518 aa 24.9 %
Plasmodium falciparum glutathione reductase Thioredoxin reductase 1, cytoplasmic   499 aa 500 aa 32.2 %
Leishmania donovani acetoin dehydrogenase e3 component-like protein Thioredoxin reductase 1, cytoplasmic   499 aa 497 aa 24.1 %
Trypanosoma cruzi dihydrolipoamide dehydrogenase, putative Thioredoxin reductase 1, cytoplasmic   499 aa 489 aa 22.9 %
Plasmodium berghei dihydrolipoyl dehydrogenase, mitochondrial, putative Thioredoxin reductase 1, cytoplasmic   499 aa 465 aa 26.9 %
Leishmania major acetoin dehydrogenase e3 component-like protein Thioredoxin reductase 1, cytoplasmic   499 aa 497 aa 24.1 %
Leishmania mexicana 2-oxoglutarate dehydrogenase, e3 component, lipoamidedehydrogenase-like protein Thioredoxin reductase 1, cytoplasmic   499 aa 452 aa 25.7 %
Trypanosoma brucei dihydrolipoamide dehydrogenase Thioredoxin reductase 1, cytoplasmic   499 aa 492 aa 23.4 %
Plasmodium yoelii dihydrolipoamide dehydrogenase Thioredoxin reductase 1, cytoplasmic   499 aa 465 aa 27.5 %
Trypanosoma brucei gambiense dihydrolipoamide dehydrogenase, putative Thioredoxin reductase 1, cytoplasmic   499 aa 491 aa 23.6 %
Trypanosoma cruzi dihydrolipoamide dehydrogenase, putative Thioredoxin reductase 1, cytoplasmic   499 aa 489 aa 22.7 %
Trypanosoma congolense dihydrolipoamide dehydrogenase, point mutation Thioredoxin reductase 1, cytoplasmic   499 aa 489 aa 22.5 %
Trypanosoma congolense dihydrolipoamide dehydrogenase, putative Thioredoxin reductase 1, cytoplasmic   499 aa 492 aa 23.2 %
Brugia malayi Hypothetical 65.5 kDa Trp-Asp repeats containing protein F02E8.5 inchromosome X geminin, DNA replication inhibitor 209 aa 176 aa 27.8 %
Trypanosoma brucei gambiense dihydrolipoamide dehydrogenase, point mutation,acetoin dehydrogenase e3 component, putative Thioredoxin reductase 1, cytoplasmic   499 aa 490 aa 23.3 %
Trypanosoma congolense dihydrolipoamide dehydrogenase, putative Thioredoxin reductase 1, cytoplasmic   499 aa 492 aa 23.2 %
Trypanosoma congolense dihydrolipoamide dehydrogenase, point mutation Thioredoxin reductase 1, cytoplasmic   499 aa 489 aa 22.3 %
Plasmodium knowlesi dihydrolipoyl dehydrogenase, apicoplast, putative Thioredoxin reductase 1, cytoplasmic   499 aa 519 aa 23.7 %
Leishmania donovani dihydrolipoamide dehydrogenase, putative Thioredoxin reductase 1, cytoplasmic   499 aa 466 aa 20.6 %
Leishmania major 2-oxoglutarate dehydrogenase, e3 component, lipoamidedehydrogenase-like protein Thioredoxin reductase 1, cytoplasmic   499 aa 454 aa 25.3 %
Toxoplasma gondii pyruvate dehydrogenase complex subunit PDH-E3II Thioredoxin reductase 1, cytoplasmic   499 aa 448 aa 27.2 %
Leishmania braziliensis acetoin dehydrogenase e3 component-like protein Thioredoxin reductase 1, cytoplasmic   499 aa 499 aa 22.8 %
Trypanosoma cruzi dihydrolipoamide dehydrogenase, putative Thioredoxin reductase 1, cytoplasmic   499 aa 483 aa 23.0 %
Plasmodium falciparum dihydrolipoyl dehydrogenase, mitochondrial Thioredoxin reductase 1, cytoplasmic   499 aa 465 aa 27.3 %
Leishmania infantum acetoin dehydrogenase e3 component-like protein Thioredoxin reductase 1, cytoplasmic   499 aa 497 aa 24.1 %
Neospora caninum Dihydrolipoyl dehydrogenase (EC 1.8.1.4), related Thioredoxin reductase 1, cytoplasmic   499 aa 464 aa 24.8 %
Trypanosoma brucei gambiense dihydrolipoamide dehydrogenase, putative,acetoin dehydrogenase e3 component, putative Thioredoxin reductase 1, cytoplasmic   499 aa 491 aa 23.2 %
Plasmodium falciparum thioredoxin reductase Thioredoxin reductase 1, cytoplasmic   499 aa 511 aa 45.2 %
Neospora caninum glutathione reductase, putative Thioredoxin reductase 1, cytoplasmic   499 aa 492 aa 32.7 %
Trypanosoma brucei dihydrolipoamide dehydrogenase, point mutation Thioredoxin reductase 1, cytoplasmic   499 aa 490 aa 23.5 %
Neospora caninum hypothetical protein Thioredoxin reductase 1, cytoplasmic   499 aa 448 aa 27.0 %
Trypanosoma congolense dihydrolipoamide dehydrogenase, point mutation, putative Thioredoxin reductase 1, cytoplasmic   499 aa 489 aa 22.7 %
Leishmania braziliensis dihydrolipoamide dehydrogenase Thioredoxin reductase 1, cytoplasmic   499 aa 488 aa 21.9 %
Trypanosoma cruzi dihydrolipoamide dehydrogenase, putative Thioredoxin reductase 1, cytoplasmic   499 aa 483 aa 23.0 %
Plasmodium vivax dihydrolipoyl dehydrogenase, mitochondrial, putative Thioredoxin reductase 1, cytoplasmic   499 aa 460 aa 25.4 %
Plasmodium knowlesi dihydrolipoyl dehydrogenase, mitochondrial, putative Thioredoxin reductase 1, cytoplasmic   499 aa 462 aa 25.8 %
Onchocerca volvulus Thioredoxin reductase 1, cytoplasmic   499 aa 499 aa 57.3 %
Plasmodium berghei dihydrolipoyl dehydrogenase, apicoplast, putative Thioredoxin reductase 1, cytoplasmic   499 aa 539 aa 22.3 %
Leishmania braziliensis 2-oxoglutarate dehydrogenase, e3 component, lipoamidedehydrogenase-like protein Thioredoxin reductase 1, cytoplasmic   499 aa 450 aa 25.6 %
Leishmania infantum dihydrolipoamide dehydrogenase, putative Thioredoxin reductase 1, cytoplasmic   499 aa 466 aa 20.6 %
Plasmodium falciparum dihydrolipoyl dehydrogenase, apicoplast Thioredoxin reductase 1, cytoplasmic   499 aa 506 aa 23.7 %
Obtained from network model

Ranking Plot

Putative Targets List

Species Potential target Raw Global Species
Entamoeba histolytica hydrolase, alpha/beta fold family domain containing protein 0.0211 0.6069 0.5
Brugia malayi dihydrolipoyl dehydrogenase, mitochondrial precursor, putative 0.0036 0.0311 0.0311
Trichomonas vaginalis conserved hypothetical protein 0.0211 0.6069 0.5943
Leishmania major dihydrolipoamide dehydrogenase, putative 0.0036 0.0311 0.0287
Trypanosoma cruzi monoglyceride lipase, putative 0.0211 0.6069 1
Loa Loa (eye worm) CBP-B 0.0095 0.2279 0.2169
Trypanosoma cruzi dihydrolipoamide dehydrogenase, putative 0.0036 0.0311 0.0287
Treponema pallidum NADH oxidase 0.0036 0.0311 0.5
Schistosoma mansoni hypothetical protein 0.0205 0.5872 0.5739
Trichomonas vaginalis conserved hypothetical protein 0.0211 0.6069 0.5943
Trypanosoma cruzi trypanothione reductase, putative 0.0036 0.0311 0.0287
Leishmania major acetoin dehydrogenase e3 component-like protein 0.0036 0.0311 0.0287
Schistosoma mansoni survival motor neuron protein 0.0058 0.1056 0.0768
Trypanosoma brucei dihydrolipoamide dehydrogenase, point mutation 0.0036 0.0311 0.0287
Mycobacterium tuberculosis Probable nitrite reductase [NAD(P)H] large subunit [FAD flavoprotein] NirB 0.0234 0.6853 0.8837
Schistosoma mansoni hypothetical protein 0.0058 0.1056 0.0768
Trypanosoma brucei monoglyceride lipase, putative 0.0211 0.6069 1
Echinococcus granulosus survival motor neuron protein 1 0.0286 0.8534 1
Echinococcus granulosus thioredoxin glutathione reductase 0.0103 0.2541 0.2712
Plasmodium falciparum lysophospholipase, putative 0.0211 0.6069 1
Mycobacterium tuberculosis Putative ferredoxin reductase 0.0234 0.6853 0.8837
Echinococcus granulosus fatty acid amide hydrolase 1 0.0098 0.2379 0.2515
Plasmodium vivax dihydrolipoyl dehydrogenase, mitochondrial, putative 0.0036 0.0311 0.0287
Plasmodium falciparum dihydrolipoyl dehydrogenase, apicoplast 0.0036 0.0311 0.0287
Loa Loa (eye worm) glutathione reductase 0.0103 0.2521 0.2414
Echinococcus multilocularis CREB binding protein 0.0095 0.2279 0.2393
Echinococcus granulosus CREB binding protein 0.0095 0.2279 0.2393
Mycobacterium ulcerans glutaminase 0.033 1 1
Trichomonas vaginalis Clan SC, family S33, methylesterase-like serine peptidase 0.0211 0.6069 0.5943
Mycobacterium tuberculosis Probable dehydrogenase 0.0234 0.6853 0.8837
Plasmodium vivax thioredoxin reductase, putative 0.0103 0.2521 0.4015
Echinococcus multilocularis thioredoxin glutathione reductase 0.0103 0.2541 0.2712
Brugia malayi amidase 0.0098 0.2379 0.2379
Mycobacterium tuberculosis NADPH-dependent mycothiol reductase Mtr 0.0103 0.2521 0.2985
Mycobacterium tuberculosis Probable NADH dehydrogenase Ndh 0.0234 0.6853 0.8837
Mycobacterium tuberculosis Possible lysophospholipase 0.0211 0.6069 0.7778
Leishmania major 2-oxoglutarate dehydrogenase, e3 component, lipoamidedehydrogenase-like protein 0.0036 0.0311 0.0287
Trypanosoma cruzi dihydrolipoyl dehydrogenase, putative 0.0036 0.0311 0.0287
Plasmodium falciparum thioredoxin reductase 0.0103 0.2521 0.4015
Wolbachia endosymbiont of Brugia malayi dihydrolipoamide dehydrogenase E3 component 0.0036 0.0311 0.5
Plasmodium vivax dihydrolipoyl dehydrogenase, apicoplast, putative 0.0036 0.0311 0.0287
Loa Loa (eye worm) thioredoxin reductase 0.0103 0.2521 0.2414
Echinococcus multilocularis survival motor neuron protein 1 0.0286 0.8534 1
Trichomonas vaginalis Clan SC, family S33, methylesterase-like serine peptidase 0.0211 0.6069 0.5943
Plasmodium falciparum thioredoxin reductase 0.0036 0.0311 0.0287
Trypanosoma cruzi dihydrolipoamide dehydrogenase, putative 0.0036 0.0311 0.0287
Onchocerca volvulus 0.0058 0.1056 0.5
Toxoplasma gondii NADPH-glutathione reductase 0.0036 0.0311 0.0716
Plasmodium vivax PST-A protein 0.0211 0.6069 1
Toxoplasma gondii pyruvate dehydrogenase complex subunit PDH-E3II 0.0036 0.0311 0.0716
Trypanosoma cruzi dihydrolipoamide dehydrogenase, putative 0.0036 0.0311 0.0287
Plasmodium falciparum glutathione reductase 0.0103 0.2521 0.4015
Mycobacterium tuberculosis NAD(P)H quinone reductase LpdA 0.0261 0.7714 1
Plasmodium vivax glutathione reductase, putative 0.0103 0.2521 0.4015
Wolbachia endosymbiont of Brugia malayi dihydrolipoamide dehydrogenase E3 component 0.0036 0.0311 0.5
Mycobacterium leprae DIHYDROLIPOAMIDE DEHYDROGENASE LPD (LIPOAMIDE REDUCTASE (NADH)) (LIPOYL DEHYDROGENASE) (DIHYDROLIPOYL DEHYDROGENASE) (DIAPHORASE 0.0261 0.7714 1
Mycobacterium tuberculosis Probable oxidoreductase 0.0261 0.7714 1
Trypanosoma brucei dihydrolipoamide dehydrogenase 0.0036 0.0311 0.0287
Plasmodium falciparum dihydrolipoyl dehydrogenase, mitochondrial 0.0036 0.0311 0.0287
Brugia malayi TAZ zinc finger family protein 0.0095 0.2279 0.2279
Trypanosoma cruzi dihydrolipoamide dehydrogenase, putative 0.0036 0.0311 0.0287
Entamoeba histolytica hydrolase, alpha/beta fold family domain containing protein 0.0211 0.6069 0.5
Brugia malayi Iron-sulfur cluster assembly accessory protein 0.0058 0.1056 0.1056
Trichomonas vaginalis Clan SC, family S33, methylesterase-like serine peptidase 0.0211 0.6069 0.5943
Trypanosoma brucei trypanothione reductase 0.0103 0.2521 0.4015
Mycobacterium tuberculosis Dihydrolipoamide dehydrogenase LpdC (lipoamide reductase (NADH)) (lipoyl dehydrogenase) (dihydrolipoyl dehydrogenase) (diaphoras 0.0261 0.7714 1
Loa Loa (eye worm) hypothetical protein 0.0286 0.8534 0.8513
Leishmania major trypanothione reductase 0.0103 0.2521 0.4015
Loa Loa (eye worm) glutaminase 2 0.033 1 1
Mycobacterium tuberculosis Probable membrane NADH dehydrogenase NdhA 0.0234 0.6853 0.8837
Plasmodium falciparum lysophospholipase, putative 0.0211 0.6069 1
Echinococcus granulosus geminin 0.0205 0.5872 0.6762
Giardia lamblia NADH oxidase lateral transfer candidate 0.0036 0.0311 0.5
Plasmodium falciparum esterase, putative 0.0211 0.6069 1
Plasmodium falciparum lysophospholipase, putative 0.0211 0.6069 1
Mycobacterium ulcerans hypothetical protein 0.0211 0.6069 0.5943
Trichomonas vaginalis Clan SC, family S33, methylesterase-like serine peptidase 0.0211 0.6069 0.5943
Echinococcus multilocularis fatty acid amide hydrolase 1 0.0098 0.2379 0.2515
Leishmania major monoglyceride lipase, putative 0.0211 0.6069 1
Echinococcus granulosus CREB binding protein 0.0095 0.2279 0.2393
Brugia malayi hypothetical protein 0.0286 0.8534 0.8534
Schistosoma mansoni glutaminase 0.033 1 1
Schistosoma mansoni amidase 0.0098 0.2379 0.2135
Leishmania major dihydrolipoamide dehydrogenase, putative 0.0036 0.0311 0.0287
Trichomonas vaginalis Clan SC, family S33, methylesterase-like serine peptidase 0.0211 0.6069 0.5943
Loa Loa (eye worm) glutaminase 0.033 1 1
Trypanosoma cruzi dihydrolipoyl dehydrogenase, putative 0.0036 0.0311 0.0287
Brugia malayi glutathione reductase 0.0103 0.2521 0.2521
Schistosoma mansoni hypothetical protein 0.0205 0.5872 0.5739
Trypanosoma brucei dihydrolipoyl dehydrogenase 0.0036 0.0311 0.0287
Loa Loa (eye worm) hypothetical protein 0.0098 0.2379 0.227
Mycobacterium tuberculosis Probable reductase 0.0234 0.6853 0.8837
Brugia malayi hypothetical protein 0.003 0.0141 0.0141
Trypanosoma cruzi dihydrolipoamide dehydrogenase, putative 0.0036 0.0311 0.0287
Trichomonas vaginalis valacyclovir hydrolase, putative 0.0211 0.6069 0.5943
Toxoplasma gondii thioredoxin reductase 0.0103 0.2521 1
Trypanosoma brucei monoglyceride lipase, putative 0.0211 0.6069 1
Trypanosoma cruzi dihydrolipoamide dehydrogenase, putative 0.0036 0.0311 0.0287
Plasmodium falciparum glutathione reductase 0.0036 0.0311 0.0287
Echinococcus granulosus fatty acid amide hydrolase 1 0.0098 0.2379 0.2515
Mycobacterium leprae PROBABLE NADH DEHYDROGENASE NDH 0.0234 0.6853 0.4766
Echinococcus multilocularis fatty acid amide hydrolase 1 0.0098 0.2379 0.2515
Trichomonas vaginalis glutaminase, putative 0.033 1 1
Schistosoma mansoni fatty-acid amide hydrolase 0.0098 0.2379 0.2135
Brugia malayi Thioredoxin reductase 0.0103 0.2521 0.2521
Chlamydia trachomatis dihydrolipoyl dehydrogenase 0.0036 0.0311 0.5
Trypanosoma brucei dihydrolipoamide dehydrogenase 0.0036 0.0311 0.0287
Schistosoma mansoni CREB-binding protein 2 0.0095 0.2279 0.2031
Echinococcus multilocularis geminin 0.0205 0.5872 0.6762
Trypanosoma cruzi trypanothione reductase, putative 0.0103 0.2521 0.4015
Mycobacterium ulcerans lysophospholipase 0.0211 0.6069 0.5943
Schistosoma mansoni CREB-binding protein 1 (SmCBP1) 0.0095 0.2279 0.2031

Activities

Activity type Activity value Assay description Source Reference
AC50 (functional) 100 uM PubChem BioAssay. Identification of Inhibitors of RAD54 Measured in Biochemical System Using Plate Reader - 2159-01_Inhibitor_Dose_CherryPick_Activity. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) = 0.0316 um PUBCHEM_BIOASSAY: qHTS Assay for Enhancers of SMN2 Splice Variant Expression. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 0.631 uM PubChem BioAssay. qHTS for Inhibitors of ATXN expression. (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, 48 hour incubation. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID488752, AID488774, AID504848, AID504850] ChEMBL. No reference
Potency (functional) 14.1254 uM PubChem BioAssay. qHTS for Inhibitors of Glutaminase (GLS). (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 14.581 uM PubChem BioAssay. A quantitative high throughput screen for small molecules that induce DNA re-replication in SW480 colon adenocarcinoma cells. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 17.7828 uM PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of Mammalian Selenoprotein Thioredoxin Reductase 1 (TrxR1): qHTS. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID488771] ChEMBL. No reference
Potency (functional) 25.1189 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) = 31.6228 um PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of Aldehyde Dehydrogenase 1 (ALDH1A1). (Class of assay: confirmatory) [Related pubchem assays: 1030 (qHTS Validation Assay for Inhibitors of aldehyde dehydrogenase 1 (ALDH1A1))] ChEMBL. No reference
Potency (functional) = 31.6228 um PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of HPGD (15-Hydroxyprostaglandin Dehydrogenase). (Class of assay: confirmatory) [Related pubchem assays: 2429 (Confirmation qHTS Assay for Inhibitors of HPGD (15-Hydroxyprostaglandin Dehydrogenase)), 2407 (Probe Development Summary for Inhibitors of HPGD (15-Hydroxyprostaglandin Dehydrogenase)), 2427 (Thermal Shift Assay for Inhibitors of HPGD (15-Hydroxyprostaglandin Dehydrogenase))] ChEMBL. No reference
Potency (functional) 31.6228 uM PubChem BioAssay. Inhibitors of Secretory Acid Sphingomyelinase (S-ASM): qHTS. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 31.6228 uM PubChem BioAssay. qHTS of GLP-1 Receptor Inverse Agonists (Inhibition Mode). (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) = 50.1187 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

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

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