Detailed information for compound 205690

Basic information

Technical information
  • TDR Targets ID: 205690
  • Name: 2-(4-methoxyphenyl)-N-methyl-N-(2-pyrrolidin- 1-ylethyl)acetamide
  • MW: 276.374 | Formula: C16H24N2O2
  • H donors: 0 H acceptors: 1 LogP: 1.82 Rotable bonds: 7
    Rule of 5 violations (Lipinski): 1
  • SMILES: COc1ccc(cc1)CC(=O)N(CCN1CCCC1)C
  • InChi: 1S/C16H24N2O2/c1-17(11-12-18-9-3-4-10-18)16(19)13-14-5-7-15(20-2)8-6-14/h5-8H,3-4,9-13H2,1-2H3
  • InChiKey: VOSVGSCKMXNIIN-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

  • 2-(4-methoxyphenyl)-N-methyl-N-[2-(1-pyrrolidinyl)ethyl]acetamide
  • 2-(4-methoxyphenyl)-N-methyl-N-(2-pyrrolidin-1-ylethyl)ethanamide
  • 2-(4-methoxyphenyl)-N-methyl-N-(2-pyrrolidinoethyl)acetamide
  • 2-(4-methoxyphenyl)-N-methyl-N-(2-1-pyrrolidinylethyl)acetamide

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Homo sapiens sigma non-opioid intracellular receptor 1 Starlite/ChEMBL References

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Trypanosoma brucei C-8 sterol isomerase, putative Get druggable targets OG5_131051 All targets in OG5_131051
Trypanosoma congolense C-8 sterol isomerase, putative Get druggable targets OG5_131051 All targets in OG5_131051
Candida albicans sterol C8-C7 isomerase Get druggable targets OG5_131051 All targets in OG5_131051
Leishmania infantum C-8 sterol isomerase-like protein Get druggable targets OG5_131051 All targets in OG5_131051
Trypanosoma congolense C-8 sterol isomerase, putative Get druggable targets OG5_131051 All targets in OG5_131051
Leishmania braziliensis C-8 sterol isomerase-like protein Get druggable targets OG5_131051 All targets in OG5_131051
Trypanosoma cruzi C-8 sterol isomerase, putative Get druggable targets OG5_131051 All targets in OG5_131051
Leishmania donovani C-8 sterol isomerase-like protein Get druggable targets OG5_131051 All targets in OG5_131051
Candida albicans sterol C8-C7 isomerase Get druggable targets OG5_131051 All targets in OG5_131051
Leishmania mexicana C-8 sterol isomerase-like protein Get druggable targets OG5_131051 All targets in OG5_131051
Brugia malayi ERG2 and Sigma1 receptor like protein Get druggable targets OG5_131051 All targets in OG5_131051
Leishmania major C-8 sterol isomerase-like protein Get druggable targets OG5_131051 All targets in OG5_131051
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_131051 All targets in OG5_131051
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_131051 All targets in OG5_131051
Trypanosoma brucei gambiense C-8 sterol isomerase, putative Get druggable targets OG5_131051 All targets in OG5_131051
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
Trypanosoma cruzi trypanothione reductase, putative 0.0063 0.0076 0.1097
Brugia malayi Pyridine nucleotide-disulphide oxidoreductase, dimerisation domain containing protein 0.0046 0.0051 0.0623
Onchocerca volvulus 0.0483 0.072 1
Brugia malayi RhoGAP domain containing protein 0.0071 0.0088 0.112
Echinococcus granulosus Mitotic checkpoint protein PRCC C terminal 0.0137 0.0189 0.0188
Mycobacterium ulcerans ATP-dependent Clp protease proteolytic subunit 0.016 0.0225 0.0664
Trichomonas vaginalis dihydropyrimidine dehydrogenase, putative 0.0017 0.0005 0.0013
Schistosoma mansoni hypothetical protein 0.0073 0.0092 0.0087
Loa Loa (eye worm) beta-LACTamase domain containing family member 0.0074 0.0093 0.1219
Trichomonas vaginalis PIKK family atypical protein kinase 0.0048 0.0053 0.0686
Echinococcus granulosus diuretic hormone 44 receptor GPRdih2 0.0034 0.0031 0.0031
Loa Loa (eye worm) pre-SET domain-containing protein family protein 0.0424 0.063 0.8243
Schistosoma mansoni cellular tumor antigen P53 0.0155 0.0217 0.0213
Loa Loa (eye worm) hypothetical protein 0.0034 0.0031 0.041
Trichomonas vaginalis PIKK family atypical protein kinase 0.0031 0.0027 0.0324
Leishmania major C-8 sterol isomerase-like protein 0.0445 0.0662 1
Trichomonas vaginalis disulfide oxidoreductase, putative 0.0017 0.0005 0.0013
Echinococcus multilocularis dihydropyrimidine dehydrogenase (NADP+) 0.0017 0.0005 0.0004
Loa Loa (eye worm) hypothetical protein 0.0074 0.0093 0.1219
Mycobacterium tuberculosis Probable membrane NADH dehydrogenase NdhA 0.0416 0.0617 0.1853
Brugia malayi hypothetical protein 0.0027 0.0021 0.024
Trichomonas vaginalis PIKK family atypical protein kinase 0.0038 0.0038 0.0475
Loa Loa (eye worm) thioredoxin reductase 0.0182 0.0259 0.3388
Schistosoma mansoni TGF-beta signal transducer Smad2 0.0017 0.0006 0.0002
Plasmodium falciparum ATP-dependent Clp protease proteolytic subunit 0.016 0.0225 0.866
Trichomonas vaginalis PIKK family atypical protein kinase 0.0036 0.0034 0.0421
Loa Loa (eye worm) hypothetical protein 0.0073 0.0092 0.1199
Mycobacterium tuberculosis NADPH-dependent mycothiol reductase Mtr 0.0182 0.0259 0.0768
Entamoeba histolytica hypothetical protein 0.0116 0.0158 1
Brugia malayi beta-lactamase family protein 0.0074 0.0093 0.1182
Trypanosoma cruzi hypothetical protein, conserved 0.0017 0.0005 0.0014
Toxoplasma gondii pyruvate dehydrogenase complex subunit PDH-E3II 0.0063 0.0076 0.2803
Schistosoma mansoni tar DNA-binding protein 0.0069 0.0085 0.0081
Schistosoma mansoni sulfide quinone reductase 0.0017 0.0005 0.0001
Toxoplasma gondii target of rapamycin (TOR), putative 0.0036 0.0034 0.1151
Echinococcus multilocularis histone lysine methyltransferase setb histone lysine methyltransferase eggless 0.0061 0.0073 0.0072
Leishmania major acetoin dehydrogenase e3 component-like protein 0.0063 0.0076 0.1097
Echinococcus multilocularis ATP dependent Clp protease proteolytic subunit 0.016 0.0225 0.0224
Brugia malayi hypothetical protein 0.0018 0.0007 0.0044
Schistosoma mansoni glutamate synthase 0.0017 0.0005 0.0001
Loa Loa (eye worm) hypothetical protein 0.0074 0.0093 0.1219
Trichomonas vaginalis PIKK family atypical protein kinase 0.0036 0.0034 0.0421
Brugia malayi RhoGAP domain containing protein 0.0061 0.0073 0.0924
Echinococcus granulosus histone lysine methyltransferase setb 0.0061 0.0073 0.0072
Mycobacterium ulcerans transcriptional regulator 0.2174 0.3314 1
Schistosoma mansoni lamin 0.0029 0.0024 0.002
Echinococcus granulosus mothers against decapentaplegic 5 0.0017 0.0006 0.0005
Schistosoma mansoni glutamate synthase 0.0017 0.0005 0.0001
Mycobacterium ulcerans AcrR family transcriptional regulator 0.2174 0.3314 1
Onchocerca volvulus 0.0061 0.0073 0.0946
Loa Loa (eye worm) MH1 domain-containing protein 0.0017 0.0006 0.008
Loa Loa (eye worm) pyridine nucleotide-disufhide oxidoreductase 0.0017 0.0005 0.0067
Echinococcus multilocularis atpase aaa+ type core atpase aaa type core 0.0783 0.1181 0.1181
Treponema pallidum bacterioferrin (TpF1) 0.0018 0.0008 0.0112
Echinococcus multilocularis glutamate synthase 0.0017 0.0005 0.0004
Mycobacterium tuberculosis Probable conserved lipoprotein 0.0074 0.0093 0.0266
Loa Loa (eye worm) cytoplasmic intermediate filament protein 0.0015 0.0003 0.0041
Onchocerca volvulus 0.0074 0.0093 0.1232
Schistosoma mansoni apoferritin-2 0.0018 0.0008 0.0003
Onchocerca volvulus 0.0074 0.0093 0.1232
Echinococcus multilocularis smad 0.0017 0.0006 0.0005
Toxoplasma gondii ATP-dependent Clp endopeptidase, proteolytic subunit ClpP domain-containing protein 0.016 0.0225 0.866
Echinococcus granulosus GPCR family 2 0.0034 0.0031 0.0031
Schistosoma mansoni rac gtpase activating protein 0.0071 0.0088 0.0084
Trypanosoma cruzi 2,4-dienoyl-coa reductase fadh1, putative 0.0017 0.0005 0.0014
Mycobacterium tuberculosis Probable NADH dehydrogenase Ndh 0.0416 0.0617 0.1853
Trypanosoma cruzi NADH dehydrogenase, putative 0.0017 0.0005 0.0014
Brugia malayi Pyridine nucleotide-disulphide oxidoreductase family protein 0.0017 0.0005 0.0026
Brugia malayi beta-lactamase family protein 0.0074 0.0093 0.1182
Mycobacterium tuberculosis Probable esterase LipL 0.0074 0.0093 0.0266
Brugia malayi Latrophilin receptor protein 2 0.0034 0.0031 0.0371
Trypanosoma brucei C-8 sterol isomerase, putative 0.0445 0.0662 1
Mycobacterium tuberculosis Probable soluble pyridine nucleotide transhydrogenase SthA (STH) (NAD(P)(+) transhydrogenase [B-specific]) (nicotinamide nucleot 0.0063 0.0076 0.0215
Schistosoma mansoni peptidase Clp (S14 family) 0.016 0.0225 0.0221
Trichomonas vaginalis mercuric reductase, putative 0.0063 0.0076 0.1008
Trichomonas vaginalis D-aminoacylase, putative 0.0074 0.0093 0.1243
Brugia malayi ERG2 and Sigma1 receptor like protein 0.0445 0.0662 0.8652
Trypanosoma cruzi dihydrolipoyl dehydrogenase, putative 0.0063 0.0076 0.1097
Echinococcus granulosus apoptosis inducing factor 1 mitochondrial 0.0017 0.0005 0.0004
Wolbachia endosymbiont of Brugia malayi ATP-dependent Clp protease proteolytic subunit 0.016 0.0225 1
Trypanosoma brucei pyridine nucleotide-disulphide oxidoreductase, putative 0.0017 0.0005 0.0014
Brugia malayi Phosphatidylinositol 3- and 4-kinase family protein 0.0048 0.0053 0.0658
Mycobacterium tuberculosis NAD(P)H quinone reductase LpdA 0.0462 0.0688 0.2068
Schistosoma mansoni survival motor neuron protein 0.0104 0.0139 0.0135
Loa Loa (eye worm) hypothetical protein 0.0029 0.0024 0.0311
Trypanosoma brucei PAB1-binding protein , putative 0.0027 0.0021 0.0262
Loa Loa (eye worm) hypothetical protein 0.0227 0.0328 0.4294
Trichomonas vaginalis ferritin, putative 0.0018 0.0008 0.0048
Loa Loa (eye worm) phosphatidylinositol 3 0.0016 0.0004 0.0055
Trichomonas vaginalis PIKK family atypical protein kinase 0.0028 0.0023 0.0264
Echinococcus multilocularis Smad4 0.0017 0.0006 0.0005
Trichomonas vaginalis PIKK family atypical protein kinase 0.0038 0.0038 0.0475
Mycobacterium tuberculosis Probable bacterioferritin BfrA 0.0018 0.0008 0.0007
Echinococcus granulosus Rac GTPase activating protein 1 0.0071 0.0088 0.0088
Treponema pallidum NADH oxidase 0.0063 0.0076 0.3237
Schistosoma mansoni ferritin light chain 0.0018 0.0008 0.0003
Trypanosoma cruzi PAB1-binding protein , putative 0.0027 0.0021 0.0262
Leishmania major 2,4-dienoyl-coa reductase-like protein 0.0017 0.0005 0.0014
Toxoplasma gondii NADPH-glutathione reductase 0.0063 0.0076 0.2803
Loa Loa (eye worm) hypothetical protein 0.0074 0.0093 0.1219
Trypanosoma brucei target of rapamycin kinase 3, putative 0.0038 0.0038 0.0518
Trichomonas vaginalis disulfide oxidoreductase, putative 0.0017 0.0005 0.0013
Trichomonas vaginalis PIKK family atypical protein kinase 0.0036 0.0034 0.0421
Mycobacterium ulcerans flavoprotein disulfide reductase 0.0063 0.0076 0.0215
Echinococcus granulosus ferritin 0.0018 0.0008 0.0007
Echinococcus multilocularis Basic leucine zipper (bZIP) transcription 0.0116 0.0158 0.0157
Brugia malayi Phosphatidylinositol 3- and 4-kinase family protein 0.0016 0.0004 0.0013
Schistosoma mansoni ferritin 0.0018 0.0008 0.0003
Mycobacterium ulcerans TetR family transcriptional regulator 0.2174 0.3314 1
Mycobacterium leprae PROBABLE NADH DEHYDROGENASE NDH 0.0416 0.0617 0.1849
Loa Loa (eye worm) hypothetical protein 0.0014 0.0001 0.0011
Trypanosoma cruzi pyridine nucleotide-disulphide oxidoreductase, putative 0.0017 0.0005 0.0014
Schistosoma mansoni glutamate synthase 0.0017 0.0005 0.0001
Brugia malayi RNA binding protein 0.0069 0.0085 0.1075
Loa Loa (eye worm) TAR-binding protein 0.0069 0.0085 0.1112
Plasmodium vivax ATP-dependent Clp protease proteolytic subunit, putative 0.0055 0.0064 0.232
Loa Loa (eye worm) programmed cell death 8 0.0017 0.0005 0.0067
Trichomonas vaginalis PIKK family atypical protein kinase 0.0028 0.0023 0.0264
Echinococcus multilocularis survival motor neuron protein 1 0.0512 0.0764 0.0763
Loa Loa (eye worm) hypothetical protein 0.0074 0.0093 0.1219
Trypanosoma brucei dihydrolipoyl dehydrogenase 0.0063 0.0076 0.1097
Echinococcus multilocularis NADPH:adrenodoxin oxidoreductase 0.0017 0.0005 0.0004
Echinococcus granulosus expressed protein 0.0018 0.0008 0.0007
Trypanosoma brucei phosphatidylinositol 4-kinase, putative 0.0048 0.0053 0.0747
Trichomonas vaginalis esterase, putative 0.0074 0.0093 0.1243
Mycobacterium leprae PROBABLE ATP-DEPENDENT CLP PROTEASE PROTEOLYTIC SUBUNIT 2 CLPP2 (ENDOPEPTIDASE CLP 2) 0.016 0.0225 0.0664
Trichomonas vaginalis glutamate synthase, putative 0.0017 0.0005 0.0013
Onchocerca volvulus 0.0104 0.0139 0.188
Mycobacterium ulcerans ATP-dependent Clp protease proteolytic subunit 0.016 0.0225 0.0664
Trypanosoma cruzi pyridine nucleotide-disulphide oxidoreductase, putative 0.0017 0.0005 0.0014
Echinococcus granulosus tar DNA binding protein 0.0069 0.0085 0.0084
Echinococcus granulosus dihydropyrimidine dehydrogenase NADP 0.0017 0.0005 0.0004
Leishmania major hypothetical protein, conserved 0.0017 0.0005 0.0014
Trichomonas vaginalis dihydroorotate dehydrogenase, putative 0.0017 0.0005 0.0013
Plasmodium falciparum ataxin-2 like protein, putative 0.0027 0.0021 0.0641
Loa Loa (eye worm) hypothetical protein 0.0071 0.0088 0.1157
Schistosoma mansoni smad1 5 8 and 0.0017 0.0006 0.0002
Onchocerca volvulus 0.0029 0.0024 0.026
Schistosoma mansoni tar DNA-binding protein 0.0069 0.0085 0.0081
Loa Loa (eye worm) RNA binding protein 0.0069 0.0085 0.1112
Mycobacterium tuberculosis Probable dehydrogenase 0.0416 0.0617 0.1853
Loa Loa (eye worm) MH2 domain-containing protein 0.0017 0.0006 0.008
Echinococcus multilocularis apoptosis inducing factor 1 mitochondrial 0.0017 0.0005 0.0004
Plasmodium vivax ataxin-2 like protein, putative 0.0027 0.0021 0.0641
Echinococcus multilocularis peptidase Clp (S14 family) 0.0105 0.014 0.014
Trypanosoma cruzi dihydrolipoamide dehydrogenase, putative 0.0063 0.0076 0.1097
Mycobacterium ulcerans bacterioferritin BfrA 0.0018 0.0008 0.0007
Loa Loa (eye worm) hypothetical protein 0.0017 0.0005 0.0067
Echinococcus multilocularis Rac GTPase activating protein 1 0.0071 0.0088 0.0088
Trypanosoma cruzi hypothetical protein, conserved 0.0074 0.0093 0.1353
Trichomonas vaginalis disulfide oxidoreductase, putative 0.0017 0.0005 0.0013
Schistosoma mansoni hypothetical protein 0.0116 0.0158 0.0154
Trypanosoma cruzi C-8 sterol isomerase, putative 0.0445 0.0662 1
Echinococcus multilocularis beta LACTamase domain containing family member 0.0074 0.0093 0.0092
Trichomonas vaginalis PIKK family atypical protein kinase 0.0029 0.0024 0.0271
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0061 0.0073 0.0069
Leishmania major hypothetical protein, conserved 0.0074 0.0093 0.1353
Brugia malayi MH2 domain containing protein 0.0255 0.0371 0.4838
Schistosoma mansoni thyroid hormone receptor 0.0148 0.0206 0.0202
Schistosoma mansoni hypothetical protein 0.0104 0.0139 0.0135
Schistosoma mansoni thyroid hormone receptor 0.0148 0.0206 0.0202
Schistosoma mansoni smad1 5 8 and 0.0017 0.0006 0.0002
Schistosoma mansoni hypothetical protein 0.0137 0.0189 0.0185
Mycobacterium tuberculosis Probable nitrite reductase [NAD(P)H] large subunit [FAD flavoprotein] NirB 0.0416 0.0617 0.1853
Wolbachia endosymbiont of Brugia malayi bacterioferritin/cytochrome b1 0.0018 0.0008 0.0112
Trypanosoma brucei trypanothione reductase 0.0182 0.0259 0.3875
Loa Loa (eye worm) hypothetical protein 0.0512 0.0764 1
Schistosoma mansoni Smad4 0.0017 0.0006 0.0002
Trypanosoma cruzi hypothetical protein, conserved 0.0074 0.0093 0.1353
Echinococcus multilocularis diuretic hormone 44 receptor GPRdih2 0.0034 0.0031 0.0031
Loa Loa (eye worm) latrophilin receptor protein 2 0.0034 0.0031 0.041
Schistosoma mansoni dihydrolipoamide dehydrogenase 0.0063 0.0076 0.0072
Echinococcus multilocularis phosphatidylinositol 3 and 4 kinase 0.0016 0.0004 0.0003
Leishmania major target of rapamycin (TOR) kinase 1, putative 0.0048 0.0053 0.0747
Loa Loa (eye worm) beta-lactamase 0.0074 0.0093 0.1219
Entamoeba histolytica hypothetical protein 0.0116 0.0158 1
Brugia malayi Intermediate filament tail domain containing protein 0.0029 0.0024 0.027
Plasmodium falciparum glutathione reductase 0.0182 0.0259 1
Mycobacterium tuberculosis Probable lipase LipE 0.0074 0.0093 0.0266
Trichomonas vaginalis PIKK family atypical protein kinase 0.0041 0.0042 0.0535
Trichomonas vaginalis PIKK family atypical protein kinase 0.0026 0.0019 0.0211
Wolbachia endosymbiont of Brugia malayi dihydrolipoamide dehydrogenase E3 component 0.0063 0.0076 0.3237
Echinococcus granulosus sulfide:quinone oxidoreductase 0.0017 0.0005 0.0004
Brugia malayi MH1 domain containing protein 0.0017 0.0006 0.0039
Brugia malayi NADPH:adrenodoxin oxidoreductase, mitochondrial precursor 0.0017 0.0005 0.0026
Trichomonas vaginalis PIKK family atypical protein kinase 0.0026 0.0019 0.021
Mycobacterium ulcerans hypothetical protein 0.0074 0.0093 0.0266
Loa Loa (eye worm) intermediate filament tail domain-containing protein 0.0029 0.0024 0.0311
Trypanosoma cruzi Phosphatidylinositol 3-kinase tor2 0.0048 0.0053 0.0747
Trichomonas vaginalis PIKK family atypical protein kinase 0.0029 0.0024 0.0271
Echinococcus multilocularis lamin dm0 0.0029 0.0024 0.0023
Schistosoma mansoni transcription factor LCR-F1 0.0116 0.0158 0.0154
Brugia malayi hypothetical protein 0.0116 0.0158 0.2034
Plasmodium vivax thioredoxin reductase, putative 0.0182 0.0259 1
Schistosoma mansoni disulfide oxidoreductase 0.0017 0.0005 0.0001
Entamoeba histolytica phosphatidylinositol3-kinaseTor2, putative 0.0048 0.0053 0.315
Toxoplasma gondii hypothetical protein 0.0055 0.0064 0.232
Echinococcus granulosus lamin dm0 0.0029 0.0024 0.0023
Trichomonas vaginalis PIKK family atypical protein kinase 0.0029 0.0024 0.0271
Leishmania major dihydrolipoamide dehydrogenase, putative 0.0063 0.0076 0.1097
Mycobacterium ulcerans dihydrolipoamide dehydrogenase 0.0063 0.0076 0.0215
Echinococcus multilocularis tar DNA binding protein 0.0069 0.0085 0.0084
Trypanosoma cruzi dihydrolipoamide dehydrogenase, putative 0.0063 0.0076 0.1097
Trichomonas vaginalis penicillin-binding protein, putative 0.0074 0.0093 0.1243
Schistosoma mansoni tar DNA-binding protein 0.0069 0.0085 0.0081
Trichomonas vaginalis PIKK family atypical protein kinase 0.0036 0.0034 0.0421
Trypanosoma brucei dihydrolipoamide dehydrogenase 0.0063 0.0076 0.1097
Trypanosoma brucei Phosphatidylinositol 3-kinase tor1 0.0048 0.0053 0.0747
Trypanosoma cruzi NADPH:adrenodoxin oxidoreductase, mitochondrial, putative 0.0017 0.0005 0.0014
Trypanosoma brucei phosphatidylinositol 3-kinase tor, putative 0.0023 0.0014 0.0155
Trichomonas vaginalis dihydroorotate dehydrogenase, putative 0.0017 0.0005 0.0013
Schistosoma mansoni ferritin 0.0018 0.0008 0.0003
Leishmania major target of rapamycin (TOR) kinase 2, putative 0.0048 0.0053 0.0747
Trichomonas vaginalis glutamate synthase, putative 0.0017 0.0005 0.0013
Entamoeba histolytica hypothetical protein 0.0116 0.0158 1
Schistosoma mansoni tar DNA-binding protein 0.0069 0.0085 0.0081
Mycobacterium tuberculosis Probable lipase LipD 0.0074 0.0093 0.0266
Trypanosoma cruzi PAB1-binding protein , putative 0.0027 0.0021 0.0262
Echinococcus multilocularis sulfide:quinone oxidoreductase 0.0017 0.0005 0.0004
Trichomonas vaginalis PIKK family atypical protein kinase 0.0026 0.0019 0.021
Leishmania major target of rapamycin kinase (TOR) kinase 3 0.0038 0.0038 0.0518
Echinococcus granulosus beta LACTamase domain containing family member 0.0074 0.0093 0.0092
Trichomonas vaginalis glutathione reductase, putative 0.0063 0.0076 0.1008
Schistosoma mansoni family S12 unassigned peptidase (S12 family) 0.0074 0.0093 0.0089
Entamoeba histolytica FKBP-rapamycin associated protein (FRAP), putative 0.0048 0.0053 0.315
Loa Loa (eye worm) Smad1 0.0017 0.0006 0.008
Echinococcus granulosus FKBP12 rapamycin complex associated protein 0.0048 0.0053 0.0052
Loa Loa (eye worm) RNA recognition domain-containing protein domain-containing protein 0.0069 0.0085 0.1112
Mycobacterium ulcerans dihydrolipoamide dehydrogenase, LpdB 0.0063 0.0076 0.0215
Leishmania major hypothetical protein, conserved 0.0017 0.0005 0.0014
Loa Loa (eye worm) hypothetical protein 0.0028 0.0023 0.03
Mycobacterium leprae PROBABLE ATP-DEPENDENT CLP PROTEASE PROTEOLYTIC SUBUNIT 1 CLPP1 (ENDOPEPTIDASE CLP) 0.0105 0.014 0.0409
Brugia malayi latrophilin 2 splice variant baaae 0.0073 0.0092 0.1162
Mycobacterium ulcerans bacterioferritin BfrB 0.0018 0.0008 0.0007
Giardia lamblia GTOR 0.0048 0.0053 0.6766
Brugia malayi Pre-SET motif family protein 0.0061 0.0073 0.0914
Trichomonas vaginalis PIKK family atypical protein kinase 0.0048 0.0053 0.0686
Echinococcus granulosus phosphatidylinositol 3 and 4 kinase 0.0016 0.0004 0.0003
Echinococcus multilocularis FKBP12 rapamycin complex associated protein 0.0048 0.0053 0.0052
Trypanosoma brucei dihydrolipoamide dehydrogenase, point mutation 0.0063 0.0076 0.1097
Plasmodium falciparum dihydrolipoyl dehydrogenase, apicoplast 0.0063 0.0076 0.2803
Plasmodium falciparum glutathione reductase 0.0063 0.0076 0.2803
Loa Loa (eye worm) hypothetical protein 0.016 0.0225 0.2943
Leishmania major hypothetical protein, conserved 0.0017 0.0005 0.0014
Mycobacterium tuberculosis Probable oxidoreductase 0.0462 0.0688 0.2068
Chlamydia trachomatis ATP-dependent Clp protease proteolytic subunit 0.016 0.0225 1
Echinococcus granulosus thioredoxin glutathione reductase 0.0183 0.0261 0.026
Loa Loa (eye worm) hypothetical protein 0.0074 0.0093 0.1219
Trichomonas vaginalis PIKK family atypical protein kinase 0.0048 0.0053 0.0686
Onchocerca volvulus 0.0155 0.0217 0.2963
Trypanosoma brucei 2,4-dienoyl-coa reductase-like protein 0.0017 0.0005 0.0014
Echinococcus multilocularis Mitotic checkpoint protein PRCC, C terminal 0.0137 0.0189 0.0188
Brugia malayi TAR-binding protein 0.0069 0.0085 0.1075
Brugia malayi MH2 domain containing protein 0.0017 0.0006 0.0039
Plasmodium vivax dihydrolipoyl dehydrogenase, mitochondrial, putative 0.0063 0.0076 0.2803
Giardia lamblia NADH oxidase lateral transfer candidate 0.0063 0.0076 1
Brugia malayi Iron-sulfur cluster assembly accessory protein 0.0104 0.0139 0.1791
Mycobacterium tuberculosis Possible penicillin-binding protein 0.0474 0.0706 0.2122
Echinococcus multilocularis tumor protein p63 0.1057 0.1602 0.1601
Echinococcus granulosus Basic leucine zipper bZIP transcription 0.0116 0.0158 0.0157
Mycobacterium tuberculosis Probable ATP-dependent CLP protease proteolytic subunit 2 ClpP2 (endopeptidase CLP 2) 0.0105 0.014 0.0409
Mycobacterium tuberculosis Conserved protein 0.0074 0.0093 0.0266
Trypanosoma brucei hypothetical protein, conserved 0.0017 0.0005 0.0014
Schistosoma mansoni hypothetical protein 0.0017 0.0005 0.0001
Trypanosoma brucei NADH dehydrogenase 0.0017 0.0005 0.0014
Mycobacterium leprae conserved hypothetical protein 0.0074 0.0093 0.0266
Mycobacterium leprae DIHYDROLIPOAMIDE DEHYDROGENASE LPD (LIPOAMIDE REDUCTASE (NADH)) (LIPOYL DEHYDROGENASE) (DIHYDROLIPOYL DEHYDROGENASE) (DIAPHORASE 0.0462 0.0688 0.2064
Loa Loa (eye worm) MH2 domain-containing protein 0.0255 0.0371 0.4859
Schistosoma mansoni ferritin 0.0018 0.0008 0.0003
Trichomonas vaginalis disulfide oxidoreductase, putative 0.0017 0.0005 0.0013
Trypanosoma brucei dihydrolipoamide dehydrogenase 0.0063 0.0076 0.1097
Plasmodium falciparum thioredoxin reductase 0.0063 0.0076 0.2803
Mycobacterium ulcerans fusion of enoyl-CoA hydratase, EchA21 and lipase, LipE 0.0074 0.0093 0.0266
Onchocerca volvulus 0.0029 0.0024 0.026
Chlamydia trachomatis dihydrolipoyl dehydrogenase 0.0063 0.0076 0.3237
Trichomonas vaginalis PIKK family atypical protein kinase 0.0026 0.0019 0.0211
Loa Loa (eye worm) hypothetical protein 0.0061 0.0073 0.0952
Echinococcus granulosus lamin 0.0029 0.0024 0.0023
Echinococcus multilocularis thioredoxin glutathione reductase 0.0183 0.0261 0.026
Loa Loa (eye worm) phosphatidylinositol 3 0.0048 0.0053 0.0697
Brugia malayi Smad1 0.0017 0.0006 0.0039
Loa Loa (eye worm) glutathione reductase 0.0182 0.0259 0.3388
Echinococcus multilocularis mothers against decapentaplegic 5 0.0017 0.0006 0.0005
Schistosoma mansoni histone-lysine n-methyltransferase suv9 0.0061 0.0073 0.0069
Brugia malayi RNA recognition motif domain containing protein 0.0069 0.0085 0.1075
Loa Loa (eye worm) hypothetical protein 0.0061 0.0073 0.0962
Schistosoma mansoni microtubule-associated protein tau 0.6531 1 1
Trichomonas vaginalis disulfide oxidoreductase, putative 0.0017 0.0005 0.0013
Toxoplasma gondii thioredoxin reductase 0.0182 0.0259 1
Trypanosoma cruzi hypothetical protein, conserved 0.0017 0.0005 0.0014
Plasmodium vivax dihydrolipoyl dehydrogenase, apicoplast, putative 0.0063 0.0076 0.2803
Mycobacterium ulcerans lipase LipD 0.0074 0.0093 0.0266
Brugia malayi dihydrolipoyl dehydrogenase, mitochondrial precursor, putative 0.0063 0.0076 0.0961
Brugia malayi MH2 domain containing protein 0.0017 0.0006 0.0039
Mycobacterium tuberculosis Probable esterase/lipase LipP 0.0074 0.0093 0.0266
Echinococcus multilocularis thyroid hormone receptor alpha 0.0148 0.0206 0.0205
Leishmania major NADH dehydrogenase, putative 0.0017 0.0005 0.0014
Mycobacterium tuberculosis Conserved protein 0.0074 0.0093 0.0266
Plasmodium falciparum ATP-dependent Clp protease proteolytic subunit 0.0055 0.0064 0.232
Trichomonas vaginalis PIKK family atypical protein kinase 0.0038 0.0038 0.0475
Trypanosoma cruzi Phosphatidylinositol 3-kinase tor1 0.0048 0.0053 0.0747
Echinococcus granulosus TGF beta signal transducer SmadC 0.0017 0.0006 0.0005
Brugia malayi beta-lactamase 0.0074 0.0093 0.1182
Trypanosoma cruzi dihydrolipoyl dehydrogenase, putative 0.0063 0.0076 0.1097
Leishmania major hypothetical protein, conserved 0.0027 0.0021 0.0262
Trichomonas vaginalis penicillin-binding protein, putative 0.0074 0.0093 0.1243
Schistosoma mansoni hypothetical protein 0.0034 0.0031 0.0027
Brugia malayi alpha keto acid dehydrogenase complex, E3 component, lipoamide dehydrogenase 0.0046 0.0051 0.0623
Loa Loa (eye worm) hypothetical protein 0.0445 0.0662 0.8658
Trypanosoma cruzi target of rapamycin kinase 3 0.0038 0.0038 0.0518
Mycobacterium tuberculosis Possible conserved lipoprotein LpqK 0.0074 0.0093 0.0266
Plasmodium vivax hypothetical protein, conserved 0.0074 0.0093 0.3468
Leishmania major dihydrolipoamide dehydrogenase, putative 0.0063 0.0076 0.1097
Schistosoma mansoni ataxia telangiectasia mutated (atm)-related 0.0048 0.0053 0.0049
Toxoplasma gondii LsmAD domain-containing protein 0.0027 0.0021 0.0641
Schistosoma mansoni hypothetical protein 0.0034 0.0031 0.0027
Wolbachia endosymbiont of Brugia malayi dihydrolipoamide dehydrogenase E3 component 0.0063 0.0076 0.3237
Trichomonas vaginalis PIKK family atypical protein kinase 0.0032 0.0029 0.0346
Trichomonas vaginalis D-aminoacylase, putative 0.0074 0.0093 0.1243
Onchocerca volvulus 0.0074 0.0093 0.1232
Schistosoma mansoni apoferritin-2 0.0018 0.0008 0.0003
Giardia lamblia Rho GAP, putative 0.0061 0.0073 0.9608
Plasmodium falciparum ataxin-2 like protein, putative 0.0027 0.0021 0.0641
Trypanosoma brucei hypothetical protein, conserved 0.0074 0.0093 0.1353
Brugia malayi Pre-SET motif family protein 0.0424 0.063 0.8235
Schistosoma mansoni intermediate filament proteins 0.0029 0.0024 0.002
Plasmodium vivax SET domain protein, putative 0.0061 0.0073 0.2663
Echinococcus multilocularis expressed protein 0.0018 0.0008 0.0007
Entamoeba histolytica hypothetical protein 0.0116 0.0158 1
Echinococcus granulosus tumor protein p63 0.1057 0.1602 0.1601
Brugia malayi glutathione reductase 0.0182 0.0259 0.3361
Trichomonas vaginalis PIKK family atypical protein kinase 0.0036 0.0034 0.0421
Trichomonas vaginalis PIKK family atypical protein kinase 0.0036 0.0034 0.0421
Loa Loa (eye worm) hypothetical protein 0.0107 0.0144 0.1879
Echinococcus multilocularis lamin 0.0029 0.0024 0.0023
Brugia malayi Pyridine nucleotide-disulphide oxidoreductase family protein 0.0017 0.0005 0.0026
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0061 0.0073 0.0069
Plasmodium falciparum dihydrolipoyl dehydrogenase, mitochondrial 0.0063 0.0076 0.2803
Trichomonas vaginalis PIKK family atypical protein kinase 0.0026 0.0019 0.0211
Schistosoma mansoni sulfide quinone reductase 0.0017 0.0005 0.0001
Echinococcus multilocularis histone lysine N methyltransferase SETMAR 0.0061 0.0073 0.0072
Mycobacterium tuberculosis Probable ATP-dependent CLP protease proteolytic subunit 1 ClpP1 (endopeptidase CLP) 0.0105 0.014 0.0409
Echinococcus granulosus pyridine nucleotide disulfide oxidoreductase 0.0017 0.0005 0.0004
Schistosoma mansoni smad1 5 8 and 0.0017 0.0006 0.0002
Schistosoma mansoni hypothetical protein 0.0034 0.0031 0.0027
Brugia malayi calcium-independent alpha-latrotoxin receptor 2, putative 0.0034 0.0031 0.0371
Toxoplasma gondii ATP-dependent Clp endopeptidase, proteolytic subunit ClpP domain-containing protein 0.016 0.0225 0.866
Mycobacterium tuberculosis Putative ferredoxin reductase 0.0416 0.0617 0.1853
Echinococcus multilocularis ferritin 0.0018 0.0008 0.0007
Trypanosoma cruzi dihydrolipoamide dehydrogenase, putative 0.0063 0.0076 0.1097
Mycobacterium leprae Probable transcriptional regulatory repressor protein (TetR-family) EthR 0.2174 0.3314 1
Echinococcus granulosus smad 0.0017 0.0006 0.0005
Echinococcus multilocularis GPCR, family 2 0.0034 0.0031 0.0031
Echinococcus multilocularis dihydropyrimidine dehydrogenase (NADP+) 0.0017 0.0005 0.0004
Loa Loa (eye worm) intermediate filament protein 0.0029 0.0024 0.0311
Echinococcus granulosus 5'partial|histone lysine N methyltransferase SETDB2 0.0059 0.0069 0.0068
Brugia malayi Thioredoxin reductase 0.0182 0.0259 0.3361
Schistosoma mansoni hypothetical protein 0.0034 0.0031 0.0027
Echinococcus granulosus dihydropyrimidine dehydrogenase NADP 0.0017 0.0005 0.0004
Loa Loa (eye worm) transcription factor SMAD2 0.0255 0.0371 0.4859
Echinococcus granulosus cadherin EGF LAG seven pass G type receptor 0.0034 0.0031 0.0031
Trypanosoma brucei FAT domain/Rapamycin binding domain/Phosphatidylinositol 3- and 4-kinase, putative 0.002 0.001 0.009
Schistosoma mansoni ferritin 0.0018 0.0008 0.0003
Plasmodium vivax glutathione reductase, putative 0.0182 0.0259 1
Trichomonas vaginalis disulfide oxidoreductase, putative 0.0017 0.0005 0.0013
Mycobacterium tuberculosis Probable reductase 0.0416 0.0617 0.1853
Echinococcus granulosus survival motor neuron protein 1 0.0512 0.0764 0.0763
Echinococcus granulosus glutamate synthase 0.0017 0.0005 0.0004
Toxoplasma gondii histone lysine methyltransferase SET/SUV39 0.0061 0.0073 0.2663
Plasmodium vivax ATP-dependent Clp protease proteolytic subunit, putative 0.016 0.0225 0.866
Mycobacterium ulcerans esterase/lipase LipP 0.0074 0.0093 0.0266
Brugia malayi Calcitonin receptor-like protein seb-1 0.0107 0.0144 0.1845
Mycobacterium leprae Probable lipase LipE 0.0074 0.0093 0.0266
Loa Loa (eye worm) pigment dispersing factor receptor c 0.0107 0.0144 0.1879
Loa Loa (eye worm) hypothetical protein 0.0074 0.0093 0.1219
Trichomonas vaginalis apoptosis inducing factor, putative 0.0017 0.0005 0.0013
Mycobacterium leprae PROBABLE BACTERIOFERRITIN BFRA 0.0018 0.0008 0.0007
Brugia malayi glutamate synthase 0.0017 0.0005 0.0026
Chlamydia trachomatis ATP-dependent Clp protease proteolytic subunit 0.016 0.0225 1
Trypanosoma cruzi dihydrolipoamide dehydrogenase, putative 0.0063 0.0076 0.1097
Trypanosoma brucei pyridine nucleotide-disulphide oxidoreductase, putative 0.0017 0.0005 0.0014
Echinococcus granulosus peptidase Clp S14 family 0.0105 0.014 0.014
Trypanosoma brucei NADPH:adrenodoxin oxidoreductase, mitochondrial, putative 0.0017 0.0005 0.0014
Echinococcus multilocularis TGF beta signal transducer SmadC 0.0017 0.0006 0.0005
Echinococcus multilocularis microtubule associated protein 2 0.6531 1 1
Leishmania major trypanothione reductase 0.0182 0.0259 0.3875
Echinococcus granulosus Smad4 0.0017 0.0006 0.0005
Trichomonas vaginalis dihydrolipoamide dehydrogenase, putative 0.0017 0.0005 0.0013
Leishmania major 2-oxoglutarate dehydrogenase, e3 component, lipoamidedehydrogenase-like protein 0.0063 0.0076 0.1097
Trypanosoma cruzi dihydrolipoamide dehydrogenase, putative 0.0063 0.0076 0.1097
Loa Loa (eye worm) hypothetical protein 0.0155 0.0217 0.2838
Treponema pallidum ATP-dependent Clp protease proteolytic subunit 0.016 0.0225 1
Echinococcus multilocularis cadherin EGF LAG seven pass G type receptor 0.0034 0.0031 0.0031
Echinococcus multilocularis musashi 0.0029 0.0024 0.0023
Trichomonas vaginalis PIKK family atypical protein kinase 0.0038 0.0038 0.0475
Brugia malayi hypothetical protein 0.0512 0.0764 1
Treponema pallidum ATP-dependent Clp protease proteolytic subunit 0.0055 0.0064 0.2679
Echinococcus multilocularis dihydrolipoamide dehydrogenase 0.0063 0.0076 0.0075
Schistosoma mansoni lamin 0.0029 0.0024 0.002
Echinococcus multilocularis pyridine nucleotide disulfide oxidoreductase 0.0017 0.0005 0.0004
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0061 0.0073 0.0069
Echinococcus granulosus dihydrolipoamide dehydrogenase 0.0063 0.0076 0.0075
Echinococcus granulosus intermediate filament protein 0.0029 0.0024 0.0023
Echinococcus granulosus NADPH:adrenodoxin oxidoreductase 0.0017 0.0005 0.0004
Trypanosoma cruzi NADH dehydrogenase, putative 0.0017 0.0005 0.0014
Trypanosoma cruzi 2,4-dienoyl-coa reductase-like protein, putative 0.0017 0.0005 0.0014
Mycobacterium leprae ATP-dependent Clp protease proteolytic subunit 1 0.0055 0.0064 0.0178
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.0107 0.0144 0.1845
Trichomonas vaginalis PIKK family atypical protein kinase 0.0026 0.0019 0.021
Mycobacterium tuberculosis Bacterioferritin BfrB 0.0018 0.0008 0.0007
Mycobacterium tuberculosis Transcriptional regulatory repressor protein (TetR-family) EthR 0.2169 0.3308 1
Toxoplasma gondii ABC1 family protein 0.0074 0.0093 0.3468
Trichomonas vaginalis PIKK family atypical protein kinase 0.0038 0.0038 0.0475
Trypanosoma cruzi trypanothione reductase, putative 0.0182 0.0259 0.3875
Mycobacterium tuberculosis Probable hydrolase 0.0074 0.0093 0.0266
Trichomonas vaginalis set domain proteins, putative 0.0483 0.072 1
Loa Loa (eye worm) hypothetical protein 0.0027 0.0021 0.028
Trypanosoma cruzi dihydrolipoamide dehydrogenase, putative 0.0063 0.0076 0.1097
Brugia malayi Probable ClpP-like protease 0.016 0.0225 0.2914
Plasmodium falciparum thioredoxin reductase 0.0182 0.0259 1
Trichomonas vaginalis PIKK family atypical protein kinase 0.0036 0.0034 0.0421
Schistosoma mansoni smad 0.0017 0.0006 0.0002
Brugia malayi Hypothetical 52.5 kDa protein ZK945.1 in chromosome II, putative 0.0074 0.0093 0.1182
Mycobacterium tuberculosis Dihydrolipoamide dehydrogenase LpdC (lipoamide reductase (NADH)) (lipoyl dehydrogenase) (dihydrolipoyl dehydrogenase) (diaphoras 0.0462 0.0688 0.2068
Trichomonas vaginalis D-aminoacylase, putative 0.0074 0.0093 0.1243
Leishmania major 2,4-dienoyl-coa reductase fadh1, putative 0.0017 0.0005 0.0014
Schistosoma mansoni ferritin light chain 0.0018 0.0008 0.0003
Echinococcus granulosus ATP dependent Clp protease proteolytic subunit 0.016 0.0225 0.0224
Trichomonas vaginalis PIKK family atypical protein kinase 0.0026 0.0019 0.0211
Schistosoma mansoni tar DNA-binding protein 0.0069 0.0085 0.0081
Brugia malayi intermediate filament protein 0.0029 0.0024 0.027
Schistosoma mansoni family S12 unassigned peptidase (S12 family) 0.0074 0.0093 0.0089
Brugia malayi MH1 domain containing protein 0.0017 0.0006 0.0039
Mycobacterium ulcerans beta-lactamase 0.0074 0.0093 0.0266
Mycobacterium tuberculosis Conserved protein 0.0074 0.0093 0.0266

Activities

Activity type Activity value Assay description Source Reference
Ki (binding) = 1220 nM Displacement of [3H]-DTG from Sigma opioid receptor type 2 in rat liver membrane ChEMBL. 8784455
Ki (binding) = 2220 nM Displacement of [3H]-(+)-pentazocine from Sigma opioid receptor type 1 in guinea pig brain membrane ChEMBL. 8784455
Ki (binding) = 2220 nM Displacement of [3H]-(+)-pentazocine from Sigma opioid receptor type 1 in guinea pig brain membrane ChEMBL. 8784455
Ratio (binding) = 1.8 Relative affinity for sigma-1 compared to sigma-2 type receptors ChEMBL. 8784455
Ratio (binding) = 1.8 Relative affinity for sigma-1 compared to sigma-2 type receptors ChEMBL. 8784455

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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