Detailed information for compound 1088873

Basic information

Technical information
  • TDR Targets ID: 1088873
  • Name: 5-[3-[4-(4-fluoro-2-methylphenoxy)piperidin-1 -yl]-5-methyl-1,2,4-triazol-4-yl]-2-methoxypy ridine
  • MW: 397.446 | Formula: C21H24FN5O2
  • H donors: 0 H acceptors: 3 LogP: 3.86 Rotable bonds: 5
    Rule of 5 violations (Lipinski): 1
  • SMILES: COc1ccc(cn1)n1c(C)nnc1N1CCC(CC1)Oc1ccc(cc1C)F
  • InChi: 1S/C21H24FN5O2/c1-14-12-16(22)4-6-19(14)29-18-8-10-26(11-9-18)21-25-24-15(2)27(21)17-5-7-20(28-3)23-13-17/h4-7,12-13,18H,8-11H2,1-3H3
  • InChiKey: TXUAASRHJQYVLZ-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

  • 5-[3-[4-(4-fluoro-2-methyl-phenoxy)-1-piperidyl]-5-methyl-1,2,4-triazol-4-yl]-2-methoxy-pyridine
  • 5-[3-[4-(4-fluoro-2-methylphenoxy)-1-piperidinyl]-5-methyl-1,2,4-triazol-4-yl]-2-methoxypyridine
  • 5-[3-[4-(4-fluoro-2-methyl-phenoxy)piperidin-1-yl]-5-methyl-1,2,4-triazol-4-yl]-2-methoxy-pyridine

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Homo sapiens arginine vasopressin receptor 2 Starlite/ChEMBL References
Homo sapiens oxytocin receptor Starlite/ChEMBL References
Homo sapiens arginine vasopressin receptor 1A Starlite/ChEMBL 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
No druggable targets predicted by sequence similarity
Obtained from network model

Ranking Plot

Putative Targets List

Species Potential target Raw Global Species
Echinococcus multilocularis tar DNA binding protein 0.0456 0.3018 0.9979
Trypanosoma cruzi NADPH:adrenodoxin oxidoreductase, mitochondrial, putative 0.0042 0.0101 0.0262
Mycobacterium tuberculosis Possible dehydrogenase/reductase 0.0042 0.0101 0.004
Trichomonas vaginalis PIKK family atypical protein kinase 0.0091 0.045 0.2706
Echinococcus multilocularis diuretic hormone 44 receptor GPRdih2 0.0032 0.0034 0.0112
Loa Loa (eye worm) hypothetical protein 0.0037 0.007 0.0172
Schistosoma mansoni cellular tumor antigen P53 0.0051 0.0168 0.0168
Onchocerca volvulus 0.0042 0.0101 0.0632
Trypanosoma cruzi dihydrolipoamide dehydrogenase, putative 0.0157 0.0912 0.2992
Echinococcus multilocularis pyridine nucleotide disulfide oxidoreductase 0.0042 0.0101 0.0335
Mycobacterium tuberculosis Probable soluble pyridine nucleotide transhydrogenase SthA (STH) (NAD(P)(+) transhydrogenase [B-specific]) (nicotinamide nucleot 0.0157 0.0912 0.1078
Echinococcus granulosus pyridine nucleotide disulfide oxidoreductase 0.0042 0.0101 0.0335
Loa Loa (eye worm) Smad1 0.0041 0.0098 0.0242
Schistosoma mansoni TGF-beta signal transducer Smad2 0.0041 0.0098 0.0098
Brugia malayi NADPH:adrenodoxin oxidoreductase, mitochondrial precursor 0.0042 0.0101 0.0249
Mycobacterium ulcerans monoxygenase 0.0042 0.0101 0.0372
Trypanosoma cruzi 2,4-dienoyl-coa reductase-like protein, putative 0.0042 0.0101 0.0262
Trypanosoma cruzi trypanothione reductase, putative 0.0453 0.2995 1
Mycobacterium ulcerans hypothetical protein 0.0042 0.0101 0.0372
Mycobacterium tuberculosis Probable nitrite reductase [NAD(P)H] large subunit [FAD flavoprotein] NirB 0.1033 0.7077 0.8963
Loa Loa (eye worm) TAR-binding protein 0.0456 0.3018 0.7415
Plasmodium vivax thioredoxin reductase, putative 0.0453 0.2995 1
Brugia malayi MH2 domain containing protein 0.0605 0.4069 1
Mycobacterium ulcerans NADPH:adrenodoxin oxidoreductase FprB 0.0042 0.0101 0.0372
Trypanosoma brucei phosphatidylinositol 3-kinase tor, putative 0.0043 0.0111 0.0297
Echinococcus granulosus dihydropyrimidine dehydrogenase NADP 0.0042 0.0101 0.0335
Loa Loa (eye worm) hypothetical protein 0.0037 0.007 0.0172
Echinococcus granulosus dihydrolipoamide dehydrogenase 0.0157 0.0912 0.3017
Schistosoma mansoni Smad4 0.0041 0.0098 0.0098
Trichomonas vaginalis PIKK family atypical protein kinase 0.0072 0.0318 0.1873
Trichomonas vaginalis PIKK family atypical protein kinase 0.0054 0.0191 0.1067
Plasmodium falciparum glutathione reductase 0.0453 0.2995 1
Echinococcus multilocularis thioredoxin glutathione reductase 0.0457 0.3024 1
Echinococcus multilocularis smad 0.0041 0.0098 0.0325
Trichomonas vaginalis disulfide oxidoreductase, putative 0.0042 0.0101 0.0494
Loa Loa (eye worm) beta-LACTamase domain containing family member 0.0037 0.007 0.0172
Trichomonas vaginalis PIKK family atypical protein kinase 0.0091 0.045 0.2706
Trypanosoma cruzi dihydrolipoamide dehydrogenase, putative 0.0157 0.0912 0.2992
Trypanosoma cruzi trypanothione reductase, putative 0.0157 0.0912 0.2992
Trichomonas vaginalis PIKK family atypical protein kinase 0.0049 0.0154 0.083
Echinococcus multilocularis sulfide:quinone oxidoreductase 0.0042 0.0101 0.0335
Brugia malayi beta-lactamase family protein 0.0037 0.007 0.0172
Mycobacterium ulcerans flavoprotein disulfide reductase 0.0157 0.0912 1
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0032 0.0034 0.0034
Trypanosoma brucei dihydrolipoyl dehydrogenase 0.0157 0.0912 0.2992
Loa Loa (eye worm) phosphatidylinositol 3 0.0031 0.0023 0.0057
Trichomonas vaginalis D-aminoacylase, putative 0.0037 0.007 0.0296
Schistosoma mansoni ataxia telangiectasia mutated (atm)-related 0.0091 0.045 0.045
Mycobacterium tuberculosis Probable NADH-dependent glutamate synthase (small subunit) GltD (L-glutamate synthase) (L-glutamate synthetase) (NADH-glutamate 0.0042 0.0101 0.004
Echinococcus granulosus 5'partial|histone lysine N methyltransferase SETDB2 0.0031 0.0025 0.0084
Plasmodium vivax hypothetical protein, conserved 0.0037 0.007 0.0122
Mycobacterium tuberculosis Probable NADPH:adrenodoxin oxidoreductase FprB (adrenodoxin reductase) (AR) (ferredoxin-NADP(+) reductase) 0.0042 0.0101 0.004
Schistosoma mansoni hypothetical protein 0.0032 0.0034 0.0034
Trypanosoma cruzi target of rapamycin kinase 3 0.0073 0.0319 0.0995
Trichomonas vaginalis PIKK family atypical protein kinase 0.0054 0.0188 0.1043
Trypanosoma cruzi 2,4-dienoyl-coa reductase fadh1, putative 0.0042 0.0101 0.0262
Toxoplasma gondii target of rapamycin (TOR), putative 0.0068 0.0285 0.0849
Loa Loa (eye worm) hypothetical protein 0.0069 0.0296 0.0728
Echinococcus multilocularis apoptosis inducing factor 1 mitochondrial 0.0042 0.0101 0.0335
Toxoplasma gondii pyruvate dehydrogenase complex subunit PDH-E3II 0.0157 0.0912 0.2967
Echinococcus granulosus apoptosis inducing factor 1 mitochondrial 0.0042 0.0101 0.0335
Trichomonas vaginalis PIKK family atypical protein kinase 0.0049 0.0154 0.083
Mycobacterium ulcerans NADPH:adrenodoxin oxidoreductase FprA 0.0042 0.0101 0.0372
Plasmodium vivax glutathione reductase, putative 0.0453 0.2995 1
Mycobacterium tuberculosis Probable NADPH dependent 2,4-dienoyl-CoA reductase FadH (2,4-dienoyl coenzyme A reductase) (4-enoyl-CoA reductase) 0.0042 0.0101 0.004
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0032 0.0034 0.0034
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0032 0.0034 0.0034
Schistosoma mansoni smad 0.0041 0.0098 0.0098
Trichomonas vaginalis PIKK family atypical protein kinase 0.0072 0.0318 0.1873
Loa Loa (eye worm) pre-SET domain-containing protein family protein 0.0224 0.1382 0.3396
Schistosoma mansoni sulfide quinone reductase 0.0042 0.0101 0.0101
Entamoeba histolytica FKBP-rapamycin associated protein (FRAP), putative 0.0091 0.045 1
Echinococcus multilocularis GPCR, family 2 0.0032 0.0034 0.0112
Loa Loa (eye worm) hypothetical protein 0.0037 0.007 0.0172
Entamoeba histolytica hypothetical protein 0.0072 0.0316 0.617
Mycobacterium tuberculosis NADPH-dependent mycothiol reductase Mtr 0.0453 0.2995 0.3741
Mycobacterium tuberculosis NADPH:adrenodoxin oxidoreductase FprA (NADPH-ferredoxin reductase) 0.0042 0.0101 0.004
Plasmodium falciparum glutathione reductase 0.0157 0.0912 0.2803
Mycobacterium leprae Probable NADH-dependent glutamate synthase (small subunit) GltD (L-glutamate synthase) (L-glutamate synthetase) (NADH-glutamate 0.0042 0.0101 0.004
Mycobacterium tuberculosis NAD(P)H quinone reductase LpdA 0.1148 0.7888 1
Loa Loa (eye worm) pyridine nucleotide-disufhide oxidoreductase 0.0042 0.0101 0.0249
Brugia malayi alpha keto acid dehydrogenase complex, E3 component, lipoamide dehydrogenase 0.0115 0.0619 0.1522
Leishmania major hypothetical protein, conserved 0.0042 0.0101 0.0262
Mycobacterium ulcerans NADH dehydrogenase Ndh1 0.0042 0.0101 0.0372
Trichomonas vaginalis PIKK family atypical protein kinase 0.0061 0.0238 0.1365
Mycobacterium tuberculosis Possible penicillin-binding protein 0.0238 0.1481 0.1804
Giardia lamblia NADH oxidase lateral transfer candidate 0.0157 0.0912 1
Brugia malayi RNA binding protein 0.0456 0.3018 0.7415
Trichomonas vaginalis disulfide oxidoreductase, putative 0.0042 0.0101 0.0494
Leishmania major acetoin dehydrogenase e3 component-like protein 0.0157 0.0912 0.2992
Loa Loa (eye worm) hypothetical protein 0.0037 0.007 0.0172
Brugia malayi Phosphatidylinositol 3- and 4-kinase family protein 0.0031 0.0023 0.0057
Schistosoma mansoni tar DNA-binding protein 0.0456 0.3018 0.3018
Plasmodium vivax type II NADH:ubiquinone oxidoreductase, putative 0.0042 0.0101 0.0227
Schistosoma mansoni smad1 5 8 and 0.0041 0.0098 0.0098
Loa Loa (eye worm) MH2 domain-containing protein 0.0041 0.0098 0.0242
Trichomonas vaginalis PIKK family atypical protein kinase 0.0049 0.0155 0.0833
Brugia malayi calcium-independent alpha-latrotoxin receptor 2, putative 0.0032 0.0034 0.0083
Plasmodium vivax ferrodoxin reductase, putative 0.0042 0.0101 0.0227
Loa Loa (eye worm) hypothetical protein 0.0037 0.007 0.0172
Schistosoma mansoni glutamate synthase 0.0042 0.0101 0.0101
Trichomonas vaginalis PIKK family atypical protein kinase 0.0091 0.045 0.2706
Schistosoma mansoni tar DNA-binding protein 0.0456 0.3018 0.3018
Entamoeba histolytica hypothetical protein 0.0072 0.0316 0.617
Brugia malayi beta-lactamase 0.0037 0.007 0.0172
Trichomonas vaginalis dihydrolipoamide dehydrogenase, putative 0.0042 0.0101 0.0494
Loa Loa (eye worm) MH2 domain-containing protein 0.0605 0.4069 1
Trichomonas vaginalis PIKK family atypical protein kinase 0.0068 0.0285 0.1662
Echinococcus multilocularis dihydrolipoamide dehydrogenase 0.0157 0.0912 0.3017
Loa Loa (eye worm) latrophilin receptor protein 2 0.0032 0.0034 0.0083
Plasmodium falciparum thioredoxin reductase 0.0453 0.2995 1
Trichomonas vaginalis D-aminoacylase, putative 0.0037 0.007 0.0296
Echinococcus granulosus beta LACTamase domain containing family member 0.0037 0.007 0.0231
Echinococcus granulosus tumor protein p63 0.0349 0.2265 0.749
Plasmodium vivax dihydrolipoyl dehydrogenase, mitochondrial, putative 0.0157 0.0912 0.2967
Plasmodium vivax NAD(P)H-dependent glutamate synthase, putative 0.0042 0.0101 0.0227
Echinococcus multilocularis FKBP12 rapamycin complex associated protein 0.0091 0.045 0.1487
Mycobacterium ulcerans dihydrolipoamide dehydrogenase 0.0157 0.0912 1
Schistosoma mansoni glutamate synthase 0.0042 0.0101 0.0101
Trypanosoma brucei 2,4-dienoyl-coa reductase-like protein 0.0042 0.0101 0.0262
Brugia malayi MH2 domain containing protein 0.0041 0.0098 0.0242
Schistosoma mansoni smad1 5 8 and 0.0041 0.0098 0.0098
Mycobacterium leprae PROBABLE NADH DEHYDROGENASE NDH 0.1033 0.7077 0.8963
Trichomonas vaginalis set domain proteins, putative 0.0254 0.1599 1
Trichomonas vaginalis PIKK family atypical protein kinase 0.0049 0.0154 0.083
Trichomonas vaginalis PIKK family atypical protein kinase 0.0049 0.0155 0.0833
Brugia malayi Latrophilin receptor protein 2 0.0032 0.0034 0.0083
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.0101 0.0522 0.1283
Mycobacterium tuberculosis Probable dehydrogenase 0.1033 0.7077 0.8963
Schistosoma mansoni hypothetical protein 0.0032 0.0034 0.0034
Trypanosoma cruzi pyridine nucleotide-disulphide oxidoreductase, putative 0.0042 0.0101 0.0262
Trichomonas vaginalis penicillin-binding protein, putative 0.0037 0.007 0.0296
Mycobacterium ulcerans NADPH dependent 2,4-dienoyl-CoA reductase FadH 0.0042 0.0101 0.0372
Loa Loa (eye worm) beta-lactamase 0.0037 0.007 0.0172
Trichomonas vaginalis PIKK family atypical protein kinase 0.0059 0.0225 0.1277
Loa Loa (eye worm) programmed cell death 8 0.0042 0.0101 0.0249
Onchocerca volvulus 0.0037 0.007 0.0437
Toxoplasma gondii pyridine nucleotide-disulfide oxidoreductase domain-containing protein 0.0042 0.0101 0.0227
Brugia malayi Phosphatidylinositol 3- and 4-kinase family protein 0.0091 0.045 0.1105
Trichomonas vaginalis PIKK family atypical protein kinase 0.0072 0.0318 0.1873
Echinococcus granulosus diuretic hormone 44 receptor GPRdih2 0.0032 0.0034 0.0112
Entamoeba histolytica phosphatidylinositol3-kinaseTor2, putative 0.0091 0.045 1
Toxoplasma gondii selenide, water dikinase 0.0042 0.0101 0.0227
Trichomonas vaginalis PIKK family atypical protein kinase 0.0068 0.0285 0.1662
Echinococcus granulosus sulfide:quinone oxidoreductase 0.0042 0.0101 0.0335
Trichomonas vaginalis PIKK family atypical protein kinase 0.0078 0.0356 0.211
Trypanosoma cruzi dihydrolipoyl dehydrogenase, putative 0.0157 0.0912 0.2992
Trypanosoma brucei FAT domain/Rapamycin binding domain/Phosphatidylinositol 3- and 4-kinase, putative 0.0038 0.0075 0.0173
Leishmania major 2-oxoglutarate dehydrogenase, e3 component, lipoamidedehydrogenase-like protein 0.0157 0.0912 0.2992
Trichomonas vaginalis esterase, putative 0.0037 0.007 0.0296
Schistosoma mansoni transcription factor LCR-F1 0.0072 0.0316 0.0316
Plasmodium falciparum dihydrolipoyl dehydrogenase, apicoplast 0.0157 0.0912 0.2803
Mycobacterium ulcerans NADH dehydrogenase 0.0042 0.0101 0.0372
Plasmodium falciparum thioredoxin reductase 0.0157 0.0912 0.2803
Trichomonas vaginalis PIKK family atypical protein kinase 0.0049 0.0155 0.0833
Schistosoma mansoni tar DNA-binding protein 0.0456 0.3018 0.3018
Schistosoma mansoni hypothetical protein 0.0042 0.0101 0.0101
Loa Loa (eye worm) RNA binding protein 0.0456 0.3018 0.7415
Mycobacterium tuberculosis Putative ferredoxin reductase 0.1033 0.7077 0.8963
Mycobacterium ulcerans ferredoxin reductase 0.0042 0.0101 0.0372
Mycobacterium ulcerans thioredoxin reductase TrxB2 0.0042 0.0101 0.0372
Trypanosoma cruzi dihydrolipoamide dehydrogenase, putative 0.0157 0.0912 0.2992
Leishmania major 2,4-dienoyl-coa reductase fadh1, putative 0.0042 0.0101 0.0262
Schistosoma mansoni histone-lysine n-methyltransferase suv9 0.0032 0.0034 0.0034
Echinococcus multilocularis histone lysine N methyltransferase SETMAR 0.0032 0.0034 0.0112
Loa Loa (eye worm) transcription factor SMAD2 0.0605 0.4069 1
Wolbachia endosymbiont of Brugia malayi dihydrolipoamide dehydrogenase E3 component 0.0157 0.0912 1
Leishmania major NADH dehydrogenase, putative 0.0042 0.0101 0.0262
Mycobacterium tuberculosis Probable membrane NADH dehydrogenase NdhA 0.1033 0.7077 0.8963
Trypanosoma brucei dihydrolipoamide dehydrogenase, point mutation 0.0157 0.0912 0.2992
Schistosoma mansoni glutamate synthase 0.0042 0.0101 0.0101
Leishmania major hypothetical protein, conserved 0.0042 0.0101 0.0262
Trichomonas vaginalis PIKK family atypical protein kinase 0.0068 0.0285 0.1662
Schistosoma mansoni hypothetical protein 0.0032 0.0034 0.0034
Leishmania major target of rapamycin (TOR) kinase 1, putative 0.0091 0.045 0.1435
Leishmania major target of rapamycin (TOR) kinase 2, putative 0.0091 0.045 0.1435
Brugia malayi Calcitonin receptor-like protein seb-1 0.0101 0.0522 0.1283
Onchocerca volvulus 0.0037 0.007 0.0437
Trypanosoma cruzi pyridine nucleotide-disulphide oxidoreductase, putative 0.0042 0.0101 0.0262
Onchocerca volvulus 0.0051 0.0168 0.1048
Echinococcus granulosus TGF beta signal transducer SmadC 0.0041 0.0098 0.0325
Giardia lamblia GTOR 0.0091 0.045 0.4296
Mycobacterium leprae PROBABLE NADPH:ADRENODOXIN OXIDOREDUCTASE FPRB (ADRENODOXIN REDUCTASE) (AR) (FERREDOXIN-NADP(+) REDUCTASE) 0.0042 0.0101 0.004
Toxoplasma gondii NADH dehydrogenase (NDH2-II) 0.0042 0.0101 0.0227
Trypanosoma brucei trypanothione reductase 0.0453 0.2995 1
Echinococcus granulosus Basic leucine zipper bZIP transcription 0.0072 0.0316 0.1046
Brugia malayi glutathione reductase 0.0453 0.2995 0.7359
Echinococcus granulosus smad 0.0041 0.0098 0.0325
Echinococcus granulosus GPCR family 2 0.0032 0.0034 0.0112
Trypanosoma brucei dihydrolipoamide dehydrogenase 0.0157 0.0912 0.2992
Echinococcus granulosus Smad4 0.0041 0.0098 0.0325
Schistosoma mansoni dihydrolipoamide dehydrogenase 0.0157 0.0912 0.0912
Trypanosoma brucei dihydrolipoamide dehydrogenase 0.0157 0.0912 0.2992
Leishmania major dihydrolipoamide dehydrogenase, putative 0.0157 0.0912 0.2992
Brugia malayi MH1 domain containing protein 0.0041 0.0098 0.0242
Schistosoma mansoni hypothetical protein 0.0072 0.0316 0.0316
Entamoeba histolytica hypothetical protein 0.0072 0.0316 0.617
Trichomonas vaginalis PIKK family atypical protein kinase 0.0072 0.0318 0.1873
Echinococcus granulosus tar DNA binding protein 0.0456 0.3018 0.9979
Schistosoma mansoni family S12 unassigned peptidase (S12 family) 0.0037 0.007 0.007
Leishmania major 2,4-dienoyl-coa reductase-like protein 0.0042 0.0101 0.0262
Trichomonas vaginalis dihydroorotate dehydrogenase, putative 0.0042 0.0101 0.0494
Trypanosoma cruzi hypothetical protein, conserved 0.0042 0.0101 0.0262
Trichomonas vaginalis disulfide oxidoreductase, putative 0.0042 0.0101 0.0494
Trichomonas vaginalis penicillin-binding protein, putative 0.0037 0.007 0.0296
Loa Loa (eye worm) hypothetical protein 0.0101 0.0522 0.1283
Echinococcus granulosus histone lysine methyltransferase setb 0.0032 0.0034 0.0112
Trichomonas vaginalis disulfide oxidoreductase, putative 0.0042 0.0101 0.0494
Mycobacterium tuberculosis Dihydrolipoamide dehydrogenase LpdC (lipoamide reductase (NADH)) (lipoyl dehydrogenase) (dihydrolipoyl dehydrogenase) (diaphoras 0.1148 0.7888 1
Brugia malayi hypothetical protein 0.0072 0.0316 0.0777
Trichomonas vaginalis mercuric reductase, putative 0.0157 0.0912 0.5641
Trypanosoma brucei pyridine nucleotide-disulphide oxidoreductase, putative 0.0042 0.0101 0.0262
Trichomonas vaginalis dihydropyrimidine dehydrogenase, putative 0.0042 0.0101 0.0494
Toxoplasma gondii pyridine nucleotide-disulfide oxidoreductase domain-containing protein 0.0042 0.0101 0.0227
Loa Loa (eye worm) MH1 domain-containing protein 0.0041 0.0098 0.0242
Trypanosoma cruzi hypothetical protein, conserved 0.0037 0.007 0.0157
Trypanosoma cruzi hypothetical protein, conserved 0.0042 0.0101 0.0262
Echinococcus granulosus mothers against decapentaplegic 5 0.0041 0.0098 0.0325
Schistosoma mansoni tar DNA-binding protein 0.0456 0.3018 0.3018
Mycobacterium ulcerans NADPH:adrenodoxin oxidoreductase FprA 0.0042 0.0101 0.0372
Trypanosoma brucei target of rapamycin kinase 3, putative 0.0073 0.0319 0.0995
Loa Loa (eye worm) glutathione reductase 0.0453 0.2995 0.7359
Brugia malayi glutamate synthase 0.0042 0.0101 0.0249
Mycobacterium leprae THIOREDOXIN TRXC (TRX) (MPT46) 0.0042 0.0101 0.004
Trypanosoma cruzi Phosphatidylinositol 3-kinase tor2 0.0091 0.045 0.1435
Trichomonas vaginalis dihydroorotate dehydrogenase, putative 0.0042 0.0101 0.0494
Loa Loa (eye worm) hypothetical protein 0.0037 0.007 0.0172
Trichomonas vaginalis PIKK family atypical protein kinase 0.0068 0.0285 0.1662
Trypanosoma cruzi dihydrolipoamide dehydrogenase, putative 0.0157 0.0912 0.2992
Toxoplasma gondii ABC1 family protein 0.0037 0.007 0.0122
Plasmodium vivax dihydrolipoyl dehydrogenase, apicoplast, putative 0.0157 0.0912 0.2967
Brugia malayi Thioredoxin reductase 0.0453 0.2995 0.7359
Schistosoma mansoni hypothetical protein 0.0069 0.0296 0.0296
Echinococcus multilocularis Basic leucine zipper (bZIP) transcription 0.0072 0.0316 0.1046
Loa Loa (eye worm) phosphatidylinositol 3 0.0091 0.045 0.1105
Schistosoma mansoni tar DNA-binding protein 0.0456 0.3018 0.3018
Mycobacterium ulcerans NADH dehydrogenase Ndh 0.0042 0.0101 0.0372
Schistosoma mansoni family S12 unassigned peptidase (S12 family) 0.0037 0.007 0.007
Echinococcus granulosus NADPH:adrenodoxin oxidoreductase 0.0042 0.0101 0.0335
Toxoplasma gondii pyridine nucleotide-disulfide oxidoreductase domain-containing protein 0.0042 0.0101 0.0227
Trypanosoma brucei hypothetical protein, conserved 0.0037 0.007 0.0157
Echinococcus granulosus phosphatidylinositol 3 and 4 kinase 0.0031 0.0023 0.0077
Trichomonas vaginalis D-aminoacylase, putative 0.0037 0.007 0.0296
Brugia malayi latrophilin 2 splice variant baaae 0.0069 0.0296 0.0728
Echinococcus granulosus cadherin EGF LAG seven pass G type receptor 0.0032 0.0034 0.0112
Trypanosoma cruzi Phosphatidylinositol 3-kinase tor1 0.0091 0.045 0.1435
Leishmania major hypothetical protein, conserved 0.0042 0.0101 0.0262
Brugia malayi beta-lactamase family protein 0.0037 0.007 0.0172
Brugia malayi Pyridine nucleotide-disulphide oxidoreductase family protein 0.0042 0.0101 0.0249
Trichomonas vaginalis PIKK family atypical protein kinase 0.0068 0.0285 0.1662
Brugia malayi Pyridine nucleotide-disulphide oxidoreductase family protein 0.0042 0.0101 0.0249
Echinococcus multilocularis histone lysine methyltransferase setb histone lysine methyltransferase eggless 0.0032 0.0034 0.0112
Echinococcus granulosus dihydropyrimidine dehydrogenase NADP 0.0042 0.0101 0.0335
Mycobacterium leprae DIHYDROLIPOAMIDE DEHYDROGENASE LPD (LIPOAMIDE REDUCTASE (NADH)) (LIPOYL DEHYDROGENASE) (DIHYDROLIPOYL DEHYDROGENASE) (DIAPHORASE 0.1148 0.7888 1
Trypanosoma cruzi NADH dehydrogenase, putative 0.0042 0.0101 0.0262
Leishmania major target of rapamycin kinase (TOR) kinase 3 0.0073 0.0319 0.0995
Echinococcus granulosus glutamate synthase 0.0042 0.0101 0.0335
Schistosoma mansoni hypothetical protein 0.0032 0.0034 0.0034
Loa Loa (eye worm) RNA recognition domain-containing protein domain-containing protein 0.0456 0.3018 0.7415
Trypanosoma cruzi dihydrolipoamide dehydrogenase, putative 0.0157 0.0912 0.2992
Brugia malayi MH2 domain containing protein 0.0041 0.0098 0.0242
Brugia malayi TAR-binding protein 0.0456 0.3018 0.7415
Mycobacterium tuberculosis Probable NADH dehydrogenase Ndh 0.1033 0.7077 0.8963
Loa Loa (eye worm) hypothetical protein 0.0042 0.0101 0.0249
Brugia malayi Pre-SET motif family protein 0.0032 0.0034 0.0083
Trichomonas vaginalis disulfide oxidoreductase, putative 0.0042 0.0101 0.0494
Leishmania major hypothetical protein, conserved 0.0037 0.007 0.0157
Brugia malayi Pre-SET motif family protein 0.0224 0.1382 0.3396
Trichomonas vaginalis PIKK family atypical protein kinase 0.0054 0.0191 0.1067
Echinococcus multilocularis glutamate synthase 0.0042 0.0101 0.0335
Trichomonas vaginalis PIKK family atypical protein kinase 0.0054 0.0191 0.1067
Trichomonas vaginalis PIKK family atypical protein kinase 0.0068 0.0285 0.1662
Trypanosoma brucei phosphatidylinositol 4-kinase, putative 0.0091 0.045 0.1435
Echinococcus granulosus thioredoxin glutathione reductase 0.0457 0.3024 1
Trypanosoma cruzi NADH dehydrogenase, putative 0.0042 0.0101 0.0262
Mycobacterium tuberculosis Probable thioredoxin reductase TrxB2 (TRXR) (TR) 0.0042 0.0101 0.004
Trypanosoma brucei NADH dehydrogenase 0.0042 0.0101 0.0262
Brugia malayi Pyridine nucleotide-disulphide oxidoreductase, dimerisation domain containing protein 0.0115 0.0619 0.1522
Brugia malayi Smad1 0.0041 0.0098 0.0242
Mycobacterium ulcerans dehydrogenase 0.0042 0.0101 0.0372
Echinococcus multilocularis phosphatidylinositol 3 and 4 kinase 0.0031 0.0023 0.0077
Echinococcus multilocularis mothers against decapentaplegic 5 0.0041 0.0098 0.0325
Brugia malayi RNA recognition motif domain containing protein 0.0456 0.3018 0.7415
Echinococcus multilocularis dihydropyrimidine dehydrogenase (NADP+) 0.0042 0.0101 0.0335
Wolbachia endosymbiont of Brugia malayi dihydrolipoamide dehydrogenase E3 component 0.0157 0.0912 1
Trichomonas vaginalis disulfide oxidoreductase, putative 0.0042 0.0101 0.0494
Brugia malayi MH1 domain containing protein 0.0041 0.0098 0.0242
Onchocerca volvulus 0.0254 0.1599 1
Entamoeba histolytica hypothetical protein 0.0072 0.0316 0.617
Schistosoma mansoni phosphatidylinositol 3-and 4-kinase 0.0031 0.0023 0.0023
Trichomonas vaginalis glutamate synthase, putative 0.0042 0.0101 0.0494
Trypanosoma cruzi dihydrolipoyl dehydrogenase, putative 0.0157 0.0912 0.2992
Trichomonas vaginalis PIKK family atypical protein kinase 0.0049 0.0155 0.0833
Trypanosoma brucei pyridine nucleotide-disulphide oxidoreductase, putative 0.0042 0.0101 0.0262
Treponema pallidum NADH oxidase 0.0157 0.0912 1
Mycobacterium ulcerans dihydrolipoamide dehydrogenase, LpdB 0.0157 0.0912 1
Mycobacterium tuberculosis Probable reductase 0.1033 0.7077 0.8963
Mycobacterium ulcerans glutamate synthase subunit beta 0.0042 0.0101 0.0372
Echinococcus multilocularis Smad4 0.0041 0.0098 0.0325
Plasmodium falciparum dihydrolipoyl dehydrogenase, mitochondrial 0.0157 0.0912 0.2803
Echinococcus multilocularis tumor protein p63 0.0349 0.2265 0.749
Brugia malayi dihydrolipoyl dehydrogenase, mitochondrial precursor, putative 0.0157 0.0912 0.2242
Echinococcus granulosus FKBP12 rapamycin complex associated protein 0.0091 0.045 0.1487
Schistosoma mansoni smad1 5 8 and 0.0041 0.0098 0.0098
Toxoplasma gondii non-proton pumping type-II NADH dehydrogenase I 0.0042 0.0101 0.0227
Trypanosoma cruzi hypothetical protein, conserved 0.0037 0.007 0.0157
Chlamydia trachomatis dihydrolipoyl dehydrogenase 0.0157 0.0912 1
Schistosoma mansoni disulfide oxidoreductase 0.0042 0.0101 0.0101
Mycobacterium tuberculosis Probable oxidoreductase 0.1148 0.7888 1
Trichomonas vaginalis PIKK family atypical protein kinase 0.0072 0.0318 0.1873
Loa Loa (eye worm) thioredoxin reductase 0.0453 0.2995 0.7359
Echinococcus multilocularis cadherin EGF LAG seven pass G type receptor 0.0032 0.0034 0.0112
Trichomonas vaginalis glutathione reductase, putative 0.0157 0.0912 0.5641
Onchocerca volvulus 0.0032 0.0034 0.0211
Echinococcus multilocularis beta LACTamase domain containing family member 0.0037 0.007 0.0231
Echinococcus multilocularis TGF beta signal transducer SmadC 0.0041 0.0098 0.0325
Trichomonas vaginalis apoptosis inducing factor, putative 0.0042 0.0101 0.0494
Leishmania major dihydrolipoamide dehydrogenase, putative 0.0157 0.0912 0.2992
Trichomonas vaginalis PIKK family atypical protein kinase 0.0054 0.0188 0.1043
Mycobacterium leprae Probable NADPH:adrenodoxin oxidoreductase FprA (NADPH-FERREDOXIN REDUCTASE) 0.0042 0.0101 0.004
Echinococcus multilocularis dihydropyrimidine dehydrogenase (NADP+) 0.0042 0.0101 0.0335
Onchocerca volvulus 0.0037 0.007 0.0437
Echinococcus multilocularis NADPH:adrenodoxin oxidoreductase 0.0042 0.0101 0.0335
Loa Loa (eye worm) hypothetical protein 0.0032 0.0034 0.0083
Toxoplasma gondii NADPH-glutathione reductase 0.0157 0.0912 0.2967
Trichomonas vaginalis PIKK family atypical protein kinase 0.0068 0.0285 0.1662
Toxoplasma gondii thioredoxin reductase 0.0453 0.2995 1
Trypanosoma brucei hypothetical protein, conserved 0.0042 0.0101 0.0262
Leishmania major trypanothione reductase 0.0453 0.2995 1
Schistosoma mansoni sulfide quinone reductase 0.0042 0.0101 0.0101
Brugia malayi Hypothetical 52.5 kDa protein ZK945.1 in chromosome II, putative 0.0037 0.007 0.0172
Loa Loa (eye worm) pigment dispersing factor receptor c 0.0101 0.0522 0.1283
Loa Loa (eye worm) hypothetical protein 0.0032 0.0034 0.0083
Trypanosoma brucei Phosphatidylinositol 3-kinase tor1 0.0091 0.045 0.1435
Trypanosoma cruzi dihydrolipoamide dehydrogenase, putative 0.0157 0.0912 0.2992
Loa Loa (eye worm) hypothetical protein 0.0051 0.0168 0.0412
Trichomonas vaginalis glutamate synthase, putative 0.0042 0.0101 0.0494
Trypanosoma brucei NADPH:adrenodoxin oxidoreductase, mitochondrial, putative 0.0042 0.0101 0.0262

Activities

Activity type Activity value Assay description Source Reference
Ki (functional) = 4.2 nM Antagonist activity at human cloned oxytocin receptor by cell based beta lactamase assay ChEMBL. 19963374
Ki (functional) = 111 nM Antagonist activity at human cloned vasopressin V1a receptor by cell based beta lactamase assay ChEMBL. 19963374
Ki (functional) > 10000 nM Antagonist activity at human cloned vasopressin V2 receptor by cell based beta lactamase assay ChEMBL. 19963374

Phenotypes

Whole-cell/tissue/organism interactions

We have no records of whole-cell/tissue assays done with this compound What does this mean?

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

1 literature reference was collected for this gene.

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