Detailed information for compound 1408121

Basic information

Technical information
  • TDR Targets ID: 1408121
  • Name: 2-chloro-N-[[5-[2-(cyclopentylamino)-2-oxoeth yl]sulfanyl-1,3,4-oxadiazol-2-yl]methyl]-6-fl uorobenzamide
  • MW: 412.866 | Formula: C17H18ClFN4O3S
  • H donors: 2 H acceptors: 4 LogP: 2.74 Rotable bonds: 9
    Rule of 5 violations (Lipinski): 1
  • SMILES: O=C(NC1CCCC1)CSc1nnc(o1)CNC(=O)c1c(F)cccc1Cl
  • InChi: 1S/C17H18ClFN4O3S/c18-11-6-3-7-12(19)15(11)16(25)20-8-14-22-23-17(26-14)27-9-13(24)21-10-4-1-2-5-10/h3,6-7,10H,1-2,4-5,8-9H2,(H,20,25)(H,21,24)
  • InChiKey: MMPQQHVVMPVVHD-UHFFFAOYSA-N  


Substructure search Similarity search

Network

Hover on a compound node to display the structore

Synonyms

  • 2-chloro-N-[[5-[2-(cyclopentylamino)-2-oxo-ethyl]sulfanyl-1,3,4-oxadiazol-2-yl]methyl]-6-fluoro-benzamide
  • 2-chloro-N-[[5-[[2-(cyclopentylamino)-2-oxoethyl]thio]-1,3,4-oxadiazol-2-yl]methyl]-6-fluorobenzamide
  • 2-chloro-N-[[5-[[2-(cyclopentylamino)-2-keto-ethyl]thio]-1,3,4-oxadiazol-2-yl]methyl]-6-fluoro-benzamide

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Homo sapiens GNAS complex locus Starlite/ChEMBL No references
Rattus norvegicus Thioredoxin reductase 1, cytoplasmic Starlite/ChEMBL No references

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit Get druggable targets OG5_131088 All targets in OG5_131088
Trypanosoma brucei 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
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit Get druggable targets OG5_131088 All targets in OG5_131088
Plasmodium knowlesi glutathione reductase, putative Get druggable targets OG5_126785 All targets in OG5_126785
Echinococcus granulosus guanine nucleotide binding protein Gs subunit Get druggable targets OG5_131088 All targets in OG5_131088
Mycobacterium tuberculosis NADPH-dependent mycothiol reductase Mtr 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
Cryptosporidium parvum thioredoxin reductase 1 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
Candida albicans similar to S. cerevisiae GLR1 (YPL091W) glutathione oxidoreductase Get druggable targets OG5_126785 All targets in OG5_126785
Brugia malayi Thioredoxin reductase Get druggable targets OG5_126785 All targets in OG5_126785
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) Get druggable targets OG5_131088 All targets in OG5_131088
Leishmania braziliensis trypanothione reductase Get druggable targets OG5_126785 All targets in OG5_126785
Brugia malayi GTP-binding regulatory protein Gs alpha-S chain, putative Get druggable targets OG5_131088 All targets in OG5_131088
Plasmodium yoelii thioredoxin 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
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) Get druggable targets OG5_131088 All targets in OG5_131088
Brugia malayi 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
Leishmania donovani trypanothione 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) GTP-binding regulatory protein Gs alpha-S chain Get druggable targets OG5_131088 All targets in OG5_131088
Plasmodium falciparum glutathione 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
Leishmania infantum trypanothione reductase Get druggable targets OG5_126785 All targets in OG5_126785
Schistosoma japonicum ko:K04632 guanine nucleotide binding protein (G protein), alpha stimulating, putative Get druggable targets OG5_131088 All targets in OG5_131088
Leishmania mexicana trypanothione reductase Get druggable targets OG5_126785 All targets in OG5_126785
Cryptosporidium hominis thioredoxin 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
Echinococcus granulosus thioredoxin glutathione reductase 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
Echinococcus granulosus guanine nucleotide binding protein Gs subunit Get druggable targets OG5_131088 All targets in OG5_131088
Plasmodium falciparum 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
Plasmodium vivax glutathione reductase, putative 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
Loa Loa (eye worm) glutathione reductase Get druggable targets OG5_126785 All targets in OG5_126785
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) Get druggable targets OG5_131088 All targets in OG5_131088
Plasmodium yoelii 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
Candida albicans similar to S. cerevisiae GLR1 (YPL091W) glutathione oxidoreductase 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
Neospora caninum Glutathione reductase, related 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
Trypanosoma brucei gambiense trypanothione 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
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 %
Plasmodium vivax dihydrolipoyl dehydrogenase, mitochondrial, putative Thioredoxin reductase 1, cytoplasmic   499 aa 460 aa 25.4 %
Trypanosoma cruzi dihydrolipoamide dehydrogenase, putative Thioredoxin reductase 1, cytoplasmic   499 aa 489 aa 22.7 %
Toxoplasma gondii pyruvate dehydrogenase complex subunit PDH-E3II Thioredoxin reductase 1, cytoplasmic   499 aa 448 aa 27.2 %
Trypanosoma brucei dihydrolipoamide dehydrogenase Thioredoxin reductase 1, cytoplasmic   499 aa 492 aa 23.4 %
Leishmania braziliensis acetoin dehydrogenase e3 component-like protein Thioredoxin reductase 1, cytoplasmic   499 aa 499 aa 22.8 %
Trypanosoma congolense dihydrolipoamide dehydrogenase, putative Thioredoxin reductase 1, cytoplasmic   499 aa 492 aa 23.2 %
Leishmania mexicana acetoin dehydrogenase e3 component-like protein Thioredoxin reductase 1, cytoplasmic   499 aa 499 aa 24.4 %
Leishmania mexicana 2-oxoglutarate dehydrogenase, e3 component, lipoamidedehydrogenase-like protein Thioredoxin reductase 1, cytoplasmic   499 aa 452 aa 25.7 %
Leishmania braziliensis dihydrolipoamide dehydrogenase Thioredoxin reductase 1, cytoplasmic   499 aa 488 aa 21.9 %
Leishmania major 2-oxoglutarate dehydrogenase, e3 component, lipoamidedehydrogenase-like protein Thioredoxin reductase 1, cytoplasmic   499 aa 454 aa 25.3 %
Plasmodium berghei dihydrolipoyl dehydrogenase, apicoplast, putative Thioredoxin reductase 1, cytoplasmic   499 aa 539 aa 22.3 %
Toxoplasma gondii NADPH-glutathione reductase Thioredoxin reductase 1, cytoplasmic   499 aa 529 aa 31.8 %
Trypanosoma congolense dihydrolipoamide dehydrogenase, point mutation, putative Thioredoxin reductase 1, cytoplasmic   499 aa 489 aa 22.7 %
Trypanosoma brucei dihydrolipoamide dehydrogenase, point mutation Thioredoxin reductase 1, cytoplasmic   499 aa 490 aa 23.5 %
Trypanosoma cruzi dihydrolipoamide dehydrogenase, putative Thioredoxin reductase 1, cytoplasmic   499 aa 483 aa 23.0 %
Trypanosoma brucei gambiense dihydrolipoamide dehydrogenase, putative,acetoin dehydrogenase e3 component, putative Thioredoxin reductase 1, cytoplasmic   499 aa 491 aa 23.2 %
Plasmodium knowlesi dihydrolipoyl dehydrogenase, mitochondrial, putative Thioredoxin reductase 1, cytoplasmic   499 aa 462 aa 25.8 %
Trypanosoma cruzi dihydrolipoamide dehydrogenase, putative Thioredoxin reductase 1, cytoplasmic   499 aa 483 aa 23.0 %
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 %
Trypanosoma cruzi dihydrolipoamide dehydrogenase, putative Thioredoxin reductase 1, cytoplasmic   499 aa 489 aa 22.9 %
Leishmania donovani acetoin dehydrogenase e3 component-like protein Thioredoxin reductase 1, cytoplasmic   499 aa 497 aa 24.1 %
Plasmodium yoelii dihydrolipoamide dehydrogenase Thioredoxin reductase 1, cytoplasmic   499 aa 465 aa 27.5 %
Neospora caninum hypothetical protein Thioredoxin reductase 1, cytoplasmic   499 aa 448 aa 27.0 %
Trypanosoma congolense dihydrolipoamide dehydrogenase, point mutation Thioredoxin reductase 1, cytoplasmic   499 aa 489 aa 22.3 %
Onchocerca volvulus Thioredoxin reductase 1, cytoplasmic   499 aa 499 aa 57.3 %
Leishmania braziliensis 2-oxoglutarate dehydrogenase, e3 component, lipoamidedehydrogenase-like protein Thioredoxin reductase 1, cytoplasmic   499 aa 450 aa 25.6 %
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 %
Plasmodium falciparum thioredoxin reductase Thioredoxin reductase 1, cytoplasmic   499 aa 511 aa 45.2 %
Plasmodium falciparum dihydrolipoyl dehydrogenase, apicoplast Thioredoxin reductase 1, cytoplasmic   499 aa 506 aa 23.7 %
Plasmodium knowlesi dihydrolipoyl dehydrogenase, apicoplast, putative Thioredoxin reductase 1, cytoplasmic   499 aa 519 aa 23.7 %
Plasmodium falciparum glutathione reductase Thioredoxin reductase 1, cytoplasmic   499 aa 500 aa 32.2 %
Leishmania donovani dihydrolipoamide dehydrogenase, putative Thioredoxin reductase 1, cytoplasmic   499 aa 466 aa 20.6 %
Neospora caninum glutathione reductase, putative Thioredoxin reductase 1, cytoplasmic   499 aa 492 aa 32.7 %
Plasmodium vivax dihydrolipoyl dehydrogenase, apicoplast, putative Thioredoxin reductase 1, cytoplasmic   499 aa 518 aa 24.9 %
Trypanosoma brucei gambiense dihydrolipoamide dehydrogenase, putative Thioredoxin reductase 1, cytoplasmic   499 aa 491 aa 23.6 %
Plasmodium yoelii dihydrolipoamide dehydrogenase Thioredoxin reductase 1, cytoplasmic   499 aa 540 aa 23.3 %
Schistosoma mansoni GTP-binding protein alpha subunit gna GNAS complex locus 394 aa 450 aa 28.7 %
Leishmania infantum dihydrolipoamide dehydrogenase, putative Thioredoxin reductase 1, cytoplasmic   499 aa 466 aa 20.6 %
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, point mutation,acetoin dehydrogenase e3 component, putative Thioredoxin reductase 1, cytoplasmic   499 aa 490 aa 23.3 %
Obtained from network model

Ranking Plot

Putative Targets List

Species Potential target Raw Global Species
Brugia malayi GTP-binding regulatory protein Gs alpha-S chain, putative 0.0055 0.1079 0.1079
Echinococcus multilocularis Polycystic kidney disease protein 0.0026 0.0297 0.02
Brugia malayi Doublecortin family protein 0.0026 0.0297 0.0297
Schistosoma mansoni rab6-interacting 0.0026 0.0297 0.016
Echinococcus multilocularis arachidonate 5 lipoxygenase 0.0072 0.1526 0.1759
Schistosoma mansoni inositol 145-trisphosphate receptor 0.012 0.279 0.2688
Echinococcus multilocularis lipoxygenase domain containing protein 0.0026 0.0297 0.02
Schistosoma mansoni inositol 145-trisphosphate receptor 0.0048 0.088 0.0751
Loa Loa (eye worm) AUR protein kinase 0.0069 0.1442 0.1949
Loa Loa (eye worm) thioredoxin reductase 0.0057 0.1129 0.1415
Echinococcus multilocularis ryanodine receptor 44f 0.0247 0.6174 0.7654
Echinococcus granulosus arachidonate 5 lipoxygenase 0.0072 0.1526 0.1759
Echinococcus granulosus epidermal growth factor receptor 0.0098 0.2213 0.263
Echinococcus granulosus serine:threonine protein kinase 12 B 0.0069 0.1442 0.1653
Loa Loa (eye worm) glutathione reductase 0.0057 0.1129 0.1415
Echinococcus granulosus insulin receptor 0.0059 0.1169 0.1306
Echinococcus multilocularis insulin receptor 0.0059 0.1169 0.1306
Leishmania major protein kinase, putative 0.0069 0.1442 0.6449
Wolbachia endosymbiont of Brugia malayi dihydrolipoamide dehydrogenase E3 component 0.002 0.0139 0.5
Loa Loa (eye worm) AUR protein kinase 0.0069 0.1442 0.1949
Echinococcus multilocularis 0.0056 0.1098 0.1216
Mycobacterium tuberculosis Probable NADH dehydrogenase Ndh 0.013 0.3068 0.8837
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0055 0.1079 0.0953
Echinococcus granulosus aurora kinase A 0.0069 0.1442 0.1653
Brugia malayi Protein kinase domain containing protein 0.0059 0.1169 0.1169
Schistosoma mansoni tyrosine kinase 0.0096 0.2163 0.2052
Loa Loa (eye worm) hypothetical protein 0.0071 0.1509 0.2062
Trypanosoma cruzi trypanothione reductase, putative 0.0057 0.1129 0.3073
Mycobacterium tuberculosis Probable membrane NADH dehydrogenase NdhA 0.013 0.3068 0.8837
Brugia malayi cation channel family protein 0.0167 0.4055 0.4055
Treponema pallidum NADH oxidase 0.002 0.0139 0.5
Loa Loa (eye worm) hypothetical protein 0.0048 0.088 0.0991
Entamoeba histolytica protein kinase domain containing protein 0.0069 0.1442 1
Loa Loa (eye worm) ryanodine receptor 0.0092 0.2066 0.3009
Schistosoma mansoni stromal cell-derived factor 2 precursor-like protein 0.0026 0.031 0.0173
Echinococcus granulosus melanoma receptor tyrosine protein kinase 0.0098 0.2213 0.263
Schistosoma mansoni serine/threonine protein kinase 0.0069 0.1442 0.1322
Brugia malayi MIR domain containing protein 0.0026 0.031 0.031
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0055 0.1079 0.1192
Echinococcus granulosus lipoxygenase domain containing protein 0.0026 0.0297 0.02
Echinococcus granulosus ryanodine receptor 44f 0.0317 0.8024 1
Schistosoma mansoni tyrosine kinase 0.0098 0.2213 0.2103
Mycobacterium leprae DIHYDROLIPOAMIDE DEHYDROGENASE LPD (LIPOAMIDE REDUCTASE (NADH)) (LIPOYL DEHYDROGENASE) (DIHYDROLIPOYL DEHYDROGENASE) (DIAPHORASE 0.0145 0.3454 1
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0055 0.1079 0.0953
Toxoplasma gondii thioredoxin reductase 0.0057 0.1129 0.7592
Schistosoma mansoni hypothetical protein 0.0097 0.2176 0.2065
Loa Loa (eye worm) hypothetical protein 0.0075 0.1591 0.2201
Plasmodium falciparum serine/threonine protein kinase, putative 0.0069 0.1442 1
Brugia malayi hypothetical protein 0.0026 0.0297 0.0297
Echinococcus granulosus stromal cell derived factor 2 0.0026 0.031 0.0217
Echinococcus granulosus RUN 0.0026 0.0297 0.02
Entamoeba histolytica protein kinase, putative 0.0069 0.1442 1
Schistosoma mansoni loxhd1 0.0026 0.0297 0.016
Trichomonas vaginalis AGC family protein kinase 0.0069 0.1442 1
Mycobacterium tuberculosis NADPH-dependent mycothiol reductase Mtr 0.0057 0.1129 0.2985
Trypanosoma brucei aurora B kinase 0.0069 0.1442 0.4048
Plasmodium falciparum glutathione reductase 0.0057 0.1129 0.7592
Echinococcus granulosus lipoxygenase domain containing protein 0.0026 0.0297 0.02
Schistosoma mansoni lipoxygenase 0.0026 0.0297 0.016
Trichomonas vaginalis AGC family protein kinase 0.0069 0.1442 1
Echinococcus multilocularis insulin growth factor 1 receptor beta 0.0059 0.1169 0.1306
Plasmodium vivax multidomain scavenger receptor, putative 0.0026 0.0297 0.1213
Loa Loa (eye worm) TK/INSR protein kinase 0.0059 0.1169 0.1483
Entamoeba histolytica serine/threonine protein kinase 6, putative 0.0069 0.1442 1
Schistosoma mansoni tyrosine kinase 0.0096 0.2163 0.2052
Trichomonas vaginalis AGC family protein kinase 0.0069 0.1442 1
Brugia malayi serine/threonine-protein kinase 6 0.0069 0.1442 0.1442
Schistosoma mansoni tyrosine kinase 0.0182 0.443 0.4352
Chlamydia trachomatis dihydrolipoyl dehydrogenase 0.002 0.0139 0.5
Brugia malayi Furin-like cysteine rich region family protein 0.0182 0.443 0.443
Trichomonas vaginalis mannosyltransferase 1, putative 0.0026 0.031 0.1312
Echinococcus granulosus insulin growth factor 1 receptor beta 0.0059 0.1169 0.1306
Trichomonas vaginalis AGC family protein kinase 0.0069 0.1442 1
Plasmodium vivax thioredoxin reductase, putative 0.0057 0.1129 0.7592
Mycobacterium tuberculosis NAD(P)H quinone reductase LpdA 0.0145 0.3454 1
Mycobacterium tuberculosis Probable nitrite reductase [NAD(P)H] large subunit [FAD flavoprotein] NirB 0.013 0.3068 0.8837
Loa Loa (eye worm) hypothetical protein 0.0247 0.6174 1
Echinococcus multilocularis epidermal growth factor receptor 0.0182 0.443 0.5443
Mycobacterium tuberculosis Probable dehydrogenase 0.013 0.3068 0.8837
Echinococcus granulosus epidermal growth factor receptor 0.0182 0.443 0.5443
Trypanosoma cruzi aurora B kinase, putative 0.0069 0.1442 0.4048
Loa Loa (eye worm) TK/EGFR protein kinase 0.0182 0.443 0.7033
Plasmodium vivax glutathione reductase, putative 0.0057 0.1129 0.7592
Schistosoma mansoni tyrosine kinase 0.0059 0.1169 0.1044
Leishmania major trypanothione reductase 0.0057 0.1129 0.4896
Loa Loa (eye worm) AUR protein kinase 0.0069 0.1442 0.1949
Mycobacterium ulcerans dihydrolipoamide dehydrogenase 0.002 0.0139 0.5
Entamoeba histolytica protein kinase , putative 0.0069 0.1442 1
Brugia malayi serine/threonine kinase 12 0.0069 0.1442 0.1442
Echinococcus multilocularis serine:threonine protein kinase 12 B 0.0069 0.1442 0.1653
Giardia lamblia Aurora kinase 0.0069 0.1442 1
Echinococcus multilocularis RUN 0.0026 0.0297 0.02
Schistosoma mansoni lipoxygenase 0.0072 0.1526 0.1407
Echinococcus granulosus ryanodine receptor 44f 0.0247 0.6174 0.7654
Trypanosoma cruzi inositol 1,4,5-trisphosphate receptor, putative 0.0141 0.3359 1
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0055 0.1079 0.0953
Schistosoma mansoni rab6-interacting 0.0026 0.0297 0.016
Schistosoma mansoni tyrosine kinase 0.0098 0.2213 0.2103
Echinococcus granulosus Polycystic kidney disease protein 0.0026 0.0297 0.02
Brugia malayi dihydrolipoyl dehydrogenase, mitochondrial precursor, putative 0.002 0.0139 0.0139
Echinococcus multilocularis aurora kinase A 0.0069 0.1442 0.1653
Onchocerca volvulus 0.0026 0.031 1
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0055 0.1079 0.1192
Schistosoma mansoni polycystin 1-related 0.0026 0.0297 0.016
Echinococcus multilocularis ryanodine receptor 44f 0.0317 0.8024 1
Trypanosoma brucei inositol 1,4,5-trisphosphate receptor 0.0141 0.3359 1
Leishmania major hypothetical protein, conserved 0.0096 0.216 1
Mycobacterium tuberculosis Probable oxidoreductase 0.0145 0.3454 1
Plasmodium falciparum thioredoxin reductase 0.0057 0.1129 0.7592
Loa Loa (eye worm) GTP-binding regulatory protein Gs alpha-S chain 0.0055 0.1079 0.1331
Loa Loa (eye worm) MIR domain-containing protein 0.0026 0.031 0.0022
Entamoeba histolytica serine/threonine- protein kinase 6 , putative 0.0069 0.1442 1
Mycobacterium tuberculosis Dihydrolipoamide dehydrogenase LpdC (lipoamide reductase (NADH)) (lipoyl dehydrogenase) (dihydrolipoyl dehydrogenase) (diaphoras 0.0145 0.3454 1
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0055 0.1079 0.1192
Schistosoma mansoni hypothetical protein 0.0026 0.0297 0.016
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0055 0.1079 0.1192
Plasmodium falciparum LCCL domain-containing protein 0.0026 0.0297 0.1213
Brugia malayi serine/threonine protein kinase 6 0.0069 0.1442 0.1442
Loa Loa (eye worm) ryanodine receptor 0.0146 0.3494 0.544
Plasmodium vivax serine/threonine protein kinase 6, putative 0.0069 0.1442 1
Echinococcus multilocularis stromal cell derived factor 2 0.0026 0.031 0.0217
Mycobacterium tuberculosis Probable reductase 0.013 0.3068 0.8837
Echinococcus multilocularis lipoxygenase domain containing protein 0.0026 0.0297 0.02
Echinococcus granulosus thioredoxin glutathione reductase 0.0057 0.1129 0.1255
Mycobacterium ulcerans flavoprotein disulfide reductase 0.002 0.0139 0.5
Echinococcus multilocularis thioredoxin glutathione reductase 0.0057 0.1129 0.1255
Brugia malayi Thioredoxin reductase 0.0057 0.1129 0.1129
Schistosoma mansoni tyrosine kinase 0.0096 0.2163 0.2052
Schistosoma mansoni tyrosine kinase 0.0059 0.1169 0.1044
Mycobacterium ulcerans dihydrolipoamide dehydrogenase, LpdB 0.002 0.0139 0.5
Wolbachia endosymbiont of Brugia malayi dihydrolipoamide dehydrogenase E3 component 0.002 0.0139 0.5
Schistosoma mansoni protein kinase 0.0069 0.1442 0.1322
Brugia malayi glutathione reductase 0.0057 0.1129 0.1129
Toxoplasma gondii aurora kinase 0.0069 0.1442 1
Entamoeba histolytica protein kinase, putative 0.0069 0.1442 1
Trypanosoma brucei trypanothione reductase 0.0057 0.1129 0.3073
Echinococcus multilocularis epidermal growth factor receptor 0.0098 0.2213 0.263
Entamoeba histolytica serine/threonine- protein kinase 6, putative 0.0069 0.1442 1
Brugia malayi hypothetical protein 0.0026 0.0297 0.0297
Mycobacterium tuberculosis Putative ferredoxin reductase 0.013 0.3068 0.8837
Schistosoma mansoni ryanodine receptor 1 skeletal muscle 0.0045 0.0813 0.0684

Activities

Activity type Activity value Assay description Source Reference
Potency (functional) 3.9811 uM PubChem BioAssay. qHTS for Agonist of gsp, the Etiologic Mutation Responsible for Fibrous Dysplasia/McCune-Albright Syndrome: qHTS. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 5.6234 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) 14.1254 uM PUBCHEM_BIOASSAY: qHTS for Inhibitors of binding or entry into cells for Lassa Virus. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID463114, AID540249] ChEMBL. No reference
Potency (functional) 14.7157 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

Phenotypes

Whole-cell/tissue/organism interactions

Species name Source Reference Is orphan
Homo sapiens ChEMBL23
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.

If you have references for this compound, please enter them in a user comment (below) or Contact us.