Detailed information for compound 1659304

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 366.429 | Formula: C22H23FN2O2
  • H donors: 0 H acceptors: 1 LogP: 3.44 Rotable bonds: 5
    Rule of 5 violations (Lipinski): 1
  • SMILES: Fc1ccccc1C(=O)c1cn(c2c1cccc2)[C@H](CN1CCOCC1)C
  • InChi: 1S/C22H23FN2O2/c1-16(14-24-10-12-27-13-11-24)25-15-19(17-6-3-5-9-21(17)25)22(26)18-7-2-4-8-20(18)23/h2-9,15-16H,10-14H2,1H3/t16-/m0/s1
  • InChiKey: YXWSEKFRRDMPBM-INIZCTEOSA-N  


Substructure search Similarity search

Network

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Synonyms

No synonyms found for this compound

Targets

Known targets for this compound

No curated genes were found associated with this compound

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
Trichomonas vaginalis dihydrolipoamide dehydrogenase, putative 0.0039 0.0073 0.0064
Brugia malayi Pre-SET motif family protein 0.062 0.446 1
Trichomonas vaginalis DNA polymerase eta, putative 0.0184 0.1169 0.2228
Echinococcus granulosus expressed protein 0.0066 0.0277 0.0512
Loa Loa (eye worm) glutathione reductase 0.0424 0.2978 0.6676
Schistosoma mansoni regulator of G protein signaling 0.0038 0.0068 0.0068
Schistosoma mansoni hypothetical protein 0.0168 0.1049 0.1049
Schistosoma mansoni fatty acid binding protein 0.0042 0.0093 0.0093
Giardia lamblia Glycerol-3-phosphate dehydrogenase 0.0039 0.0073 0.037
Mycobacterium tuberculosis Probable nitrite reductase [NAD(P)H] large subunit [FAD flavoprotein] NirB 0.0967 0.7076 0.8958
Brugia malayi jmjC domain containing protein 0.0096 0.0504 0.113
Plasmodium falciparum type II NADH:ubiquinone oxidoreductase 0.0039 0.0073 0.0244
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0089 0.045 0.045
Echinococcus granulosus beta-adrenergic receptor kinase 0.0039 0.007 0.0129
Mycobacterium ulcerans hypothetical protein 0.0039 0.0076 0.001
Entamoeba histolytica hypothetical protein 0.0038 0.0068 0.0141
Echinococcus multilocularis regulator of G protein signaling 3 0.0038 0.0068 0.0116
Echinococcus granulosus fatty acid binding protein FABP2 0.0042 0.0093 0.0172
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.029 0.1969 0.3807
Echinococcus multilocularis fatty acid binding protein FABP2 0.0042 0.0093 0.0159
Schistosoma mansoni regulator of G protein signaling 0.0038 0.0068 0.0068
Echinococcus multilocularis histone lysine methyltransferase setb histone lysine methyltransferase eggless 0.0089 0.045 0.0768
Trypanosoma cruzi 2,4-dienoyl-coa reductase-like protein, putative 0.0039 0.0073 0.011
Echinococcus granulosus NADPH:adrenodoxin oxidoreductase 0.0039 0.0073 0.0135
Entamoeba histolytica serine/threonine protein kinase, putative 0.0095 0.0496 0.2362
Trichomonas vaginalis disulfide oxidoreductase, putative 0.0039 0.0073 0.0064
Leishmania major DNA polymerase eta, putative 0.0178 0.1121 0.3677
Trichomonas vaginalis disulfide oxidoreductase, putative 0.0039 0.0073 0.0064
Trypanosoma brucei DNA polymerase kappa, putative 0.0184 0.1169 0.3843
Brugia malayi Thioredoxin reductase 0.0424 0.2978 0.6676
Toxoplasma gondii histone lysine methyltransferase SET/SUV39 0.0089 0.045 0.1511
Trypanosoma brucei dihydrolipoamide dehydrogenase, point mutation 0.0147 0.0887 0.2882
Echinococcus granulosus dna polymerase eta 0.0178 0.1121 0.2072
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.029 0.1969 0.3807
Treponema pallidum NADH oxidase 0.0147 0.0887 0.4294
Brugia malayi Probable G protein-coupled receptor kinase F19C6.1, putative 0.0039 0.007 0.0157
Echinococcus multilocularis dna polymerase kappa 0.0184 0.1169 0.1996
Schistosoma mansoni fatty acid binding protein 0.0042 0.0093 0.0093
Trypanosoma cruzi DNA damage repair protein, putative 0.0039 0.0076 0.0122
Trichomonas vaginalis CAMK family protein kinase 0.0095 0.0496 0.0899
Echinococcus multilocularis regulator of G protein signaling 7 0.0038 0.0068 0.0116
Brugia malayi NADPH:adrenodoxin oxidoreductase, mitochondrial precursor 0.0039 0.0073 0.0163
Trichomonas vaginalis conserved hypothetical protein 0.0038 0.0068 0.0053
Schistosoma mansoni axis inhibition protein axin 0.0038 0.0068 0.0068
Trypanosoma cruzi pyridine nucleotide-disulphide oxidoreductase, putative 0.0039 0.0073 0.011
Trypanosoma brucei dihydrolipoamide dehydrogenase 0.0147 0.0887 0.2882
Trichomonas vaginalis disulfide oxidoreductase, putative 0.0039 0.0073 0.0064
Echinococcus multilocularis expressed protein 0.0746 0.5409 0.9236
Plasmodium vivax type II NADH:ubiquinone oxidoreductase, putative 0.0039 0.0073 0.0244
Trypanosoma brucei pyridine nucleotide-disulphide oxidoreductase, putative 0.0039 0.0073 0.011
Echinococcus multilocularis axis inhibition protein axin 0.0038 0.0068 0.0116
Loa Loa (eye worm) pyridine nucleotide-disufhide oxidoreductase 0.0039 0.0073 0.0163
Loa Loa (eye worm) RGS-3 protein 0.0038 0.0068 0.0152
Schistosoma mansoni DNA polymerase eta 0.0178 0.1121 0.1121
Echinococcus multilocularis thioredoxin glutathione reductase 0.0426 0.2997 0.5117
Entamoeba histolytica hypothetical protein 0.0042 0.0095 0.0281
Schistosoma mansoni serine/threonine protein kinase 0.0039 0.007 0.007
Trypanosoma brucei unspecified product 0.017 0.1062 0.3478
Schistosoma mansoni regulator of G protein signaling 17 19 20 (rgs17 19 20) 0.0038 0.0068 0.0068
Trypanosoma cruzi trypanothione reductase, putative 0.0424 0.2978 1
Echinococcus multilocularis dihydropyrimidine dehydrogenase (NADP+) 0.0039 0.0073 0.0124
Trypanosoma cruzi hypothetical protein, conserved 0.0039 0.0076 0.0122
Trichomonas vaginalis conserved hypothetical protein 0.0066 0.0277 0.0467
Trypanosoma brucei peptidyl-prolyl cis-trans isomerase/rotamase, putative 0.0064 0.0265 0.0765
Trypanosoma brucei unspecified product 0.0088 0.044 0.136
Echinococcus multilocularis apoptosis inducing factor 1 mitochondrial 0.0039 0.0073 0.0124
Trichomonas vaginalis glutathione reductase, putative 0.0147 0.0887 0.1671
Brugia malayi Regulator of G protein signaling domain containing protein 0.0038 0.0068 0.0152
Trypanosoma cruzi pyridine nucleotide-disulphide oxidoreductase, putative 0.0039 0.0073 0.011
Trypanosoma brucei mitochondrial DNA polymerase beta-PAK 0.0142 0.085 0.2755
Leishmania major peptidyl-prolyl cis-trans isomerase/rotamase, putative,PPIase, putative 0.0064 0.0265 0.0765
Echinococcus multilocularis histone lysine N methyltransferase SETMAR 0.0089 0.045 0.0768
Echinococcus granulosus terminal deoxycytidyl transferase rev1 0.0127 0.0738 0.1364
Schistosoma mansoni transcription factor LCR-F1 0.0042 0.0095 0.0095
Brugia malayi Lipocalin / cytosolic fatty-acid binding protein family protein 0.0042 0.0093 0.0209
Plasmodium falciparum ferrodoxin reductase-like protein 0.0039 0.0073 0.0244
Echinococcus granulosus 5'partial|histone lysine N methyltransferase SETDB2 0.0086 0.0425 0.0786
Echinococcus granulosus glutamate synthase 0.0039 0.0073 0.0135
Plasmodium falciparum dihydrolipoyl dehydrogenase, apicoplast 0.0147 0.0887 0.2979
Trichomonas vaginalis apoptosis inducing factor, putative 0.0039 0.0073 0.0064
Onchocerca volvulus 0.0089 0.045 0.0881
Toxoplasma gondii ImpB/MucB/SamB family protein 0.009 0.0459 0.1542
Loa Loa (eye worm) hypothetical protein 0.0039 0.0073 0.0163
Echinococcus granulosus regulator of G protein signaling 7 0.0038 0.0068 0.0125
Trypanosoma cruzi polo-like protein kinase, putative 0.0095 0.0496 0.1551
Echinococcus multilocularis Transcription factor, JmjC domain containing protein 0.0096 0.0504 0.086
Trypanosoma brucei polo-like protein kinase 0.0095 0.0496 0.1551
Trypanosoma cruzi dihydrolipoamide dehydrogenase, putative 0.0147 0.0887 0.2882
Trypanosoma brucei dihydrolipoamide dehydrogenase 0.0147 0.0887 0.2882
Leishmania major DNA polymerase kappa, putative 0.0141 0.0845 0.2739
Echinococcus multilocularis regulator of G protein signaling 3 0.0038 0.0068 0.0116
Plasmodium falciparum glutathione reductase 0.0424 0.2978 1
Echinococcus granulosus microtubule associated protein 2 0.0685 0.4951 0.9153
Trypanosoma brucei hypothetical protein, conserved 0.0039 0.0073 0.011
Wolbachia endosymbiont of Brugia malayi dihydrolipoamide dehydrogenase E3 component 0.0147 0.0887 1
Trypanosoma brucei NADPH:adrenodoxin oxidoreductase, mitochondrial, putative 0.0039 0.0073 0.011
Brugia malayi ImpB/MucB/SamB family protein 0.0178 0.1121 0.2513
Loa Loa (eye worm) hypothetical protein 0.0038 0.0068 0.0152
Trichomonas vaginalis CAMK family protein kinase 0.0047 0.0134 0.0184
Schistosoma mansoni regulator of G protein signaling 0.0038 0.0068 0.0068
Trypanosoma brucei dihydrolipoyl dehydrogenase 0.0147 0.0887 0.2882
Mycobacterium tuberculosis Probable membrane NADH dehydrogenase NdhA 0.0967 0.7076 0.8958
Loa Loa (eye worm) PXA domain-containing protein 0.0038 0.0068 0.0152
Schistosoma mansoni cellular tumor antigen P53 0.0049 0.0146 0.0146
Entamoeba histolytica hypothetical protein 0.0042 0.0095 0.0281
Trypanosoma brucei DNA polymerase kappa, putative 0.0102 0.0547 0.1725
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0045 0.012 0.012
Echinococcus granulosus sulfide:quinone oxidoreductase 0.0039 0.0073 0.0135
Trichomonas vaginalis CAMK family protein kinase 0.0095 0.0496 0.0899
Schistosoma mansoni glutamate synthase 0.0039 0.0073 0.0073
Trypanosoma cruzi dihydrolipoamide dehydrogenase, putative 0.0147 0.0887 0.2882
Trypanosoma cruzi DNA polymerase kappa, putative 0.0184 0.1169 0.3843
Brugia malayi Pin1-type peptidyl-prolyl cis-trans isomerase, BmPin1 0.0066 0.0277 0.0621
Schistosoma mansoni jumonji domain containing protein 0.0076 0.0355 0.0355
Plasmodium falciparum glutathione reductase 0.0147 0.0887 0.2979
Trypanosoma cruzi dihydrolipoyl dehydrogenase, putative 0.0147 0.0887 0.2882
Schistosoma mansoni serine/threonine protein kinase 0.0039 0.007 0.007
Plasmodium falciparum DNA repair protein REV1, putative 0.0039 0.0076 0.0256
Echinococcus granulosus dihydropyrimidine dehydrogenase NADP 0.0039 0.0073 0.0135
Trichomonas vaginalis conserved hypothetical protein 0.0038 0.0068 0.0053
Loa Loa (eye worm) Pin1-type peptidyl-prolyl cis-trans isomerase 0.0066 0.0277 0.0621
Toxoplasma gondii peptidylprolyl isomerase 0.0064 0.0265 0.0891
Onchocerca volvulus 0.0039 0.0073 0.0143
Brugia malayi PXA domain containing protein 0.0038 0.0068 0.0152
Loa Loa (eye worm) AGC/GRK/GRK protein kinase 0.0039 0.007 0.0157
Trypanosoma cruzi 2,4-dienoyl-coa reductase fadh1, putative 0.0039 0.0073 0.011
Trypanosoma cruzi mitochondrial DNA polymerase beta-PAK, putative 0.0142 0.085 0.2755
Leishmania major dihydrolipoamide dehydrogenase, putative 0.0147 0.0887 0.2882
Echinococcus multilocularis tyrosyl DNA phosphodiesterase 1 0.0077 0.0359 0.0613
Trichomonas vaginalis dihydropyrimidine dehydrogenase, putative 0.0039 0.0073 0.0064
Toxoplasma gondii NADPH-glutathione reductase 0.0147 0.0887 0.2979
Mycobacterium ulcerans isocitrate lyase Icl 0.0506 0.3596 1
Mycobacterium tuberculosis Probable isocitrate lyase AceAb [second part] (isocitrase) (isocitratase) (Icl) 0.0506 0.3596 0.4507
Trypanosoma brucei hypothetical protein, conserved 0.0039 0.0076 0.0122
Mycobacterium tuberculosis Probable fructose-bisphosphate aldolase Fba 0.0142 0.0849 0.0992
Trichomonas vaginalis set domain proteins, putative 0.0706 0.5107 1
Mycobacterium ulcerans DNA polymerase IV 0.0184 0.1169 0.3112
Trypanosoma cruzi mitochondrial DNA polymerase beta, putative 0.03 0.2042 0.6815
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0089 0.045 0.045
Trichomonas vaginalis conserved hypothetical protein 0.0038 0.0068 0.0053
Trichomonas vaginalis DNA polymerase IV / kappa, putative 0.0184 0.1169 0.2228
Loa Loa (eye worm) pre-SET domain-containing protein family protein 0.062 0.446 1
Echinococcus granulosus lysine specific demethylase 5A 0.0036 0.0047 0.0086
Onchocerca volvulus 0.0049 0.0146 0.0286
Entamoeba histolytica glutamate synthase beta subunit, putative 0.0039 0.0073 0.0167
Schistosoma mansoni hypothetical protein 0.0168 0.1049 0.1049
Echinococcus multilocularis jumonji domain containing protein 0.0041 0.0087 0.0148
Leishmania major hypothetical protein, conserved 0.0039 0.0073 0.011
Mycobacterium tuberculosis Probable NADH dehydrogenase Ndh 0.0967 0.7076 0.8958
Trichomonas vaginalis disulfide oxidoreductase, putative 0.0039 0.0073 0.0064
Echinococcus granulosus dihydrolipoamide dehydrogenase 0.0147 0.0887 0.164
Trypanosoma brucei DNA polymerase kappa, putative 0.0184 0.1169 0.3843
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.029 0.1969 0.3807
Entamoeba histolytica hypothetical protein 0.0038 0.0068 0.0141
Plasmodium vivax ferrodoxin reductase, putative 0.0039 0.0073 0.0244
Schistosoma mansoni sulfide quinone reductase 0.0039 0.0073 0.0073
Toxoplasma gondii NAC domain-containing protein 0.0035 0.0041 0.0136
Wolbachia endosymbiont of Brugia malayi dihydrolipoamide dehydrogenase E3 component 0.0147 0.0887 1
Trypanosoma cruzi NADH dehydrogenase, putative 0.0039 0.0073 0.011
Echinococcus granulosus dna polymerase kappa 0.0184 0.1169 0.2162
Trypanosoma cruzi peptidyl-prolyl cis-trans isomerase 0.0064 0.0265 0.0765
Schistosoma mansoni serine/threonine protein kinase 0.0095 0.0496 0.0496
Leishmania major dihydrolipoamide dehydrogenase, putative 0.0147 0.0887 0.2882
Loa Loa (eye worm) G protein signaling regulator EGL-10 0.0038 0.0068 0.0152
Trichomonas vaginalis glutamate synthase, putative 0.0039 0.0073 0.0064
Loa Loa (eye worm) MH2 domain-containing protein 0.0119 0.0673 0.151
Mycobacterium tuberculosis Probable dehydrogenase 0.0967 0.7076 0.8958
Echinococcus multilocularis Basic leucine zipper (bZIP) transcription 0.0042 0.0095 0.0162
Loa Loa (eye worm) ICD-1 protein 0.0035 0.0041 0.0091
Trypanosoma cruzi mitochondrial DNA polymerase beta, putative 0.03 0.2042 0.6815
Loa Loa (eye worm) GTP-binding regulatory protein Gs alpha-S chain 0.0045 0.012 0.0269
Mycobacterium leprae PROBABLE ISOCITRATE LYASE AceA (ISOCITRASE) (ISOCITRATASE) (ICL) 0.0506 0.3596 0.4507
Trichomonas vaginalis glutamate synthase, putative 0.0039 0.0073 0.0064
Trypanosoma cruzi tyrosyl-DNA Phosphodiesterase (Tdp1), putative 0.0077 0.0359 0.1083
Trypanosoma brucei hypothetical protein, conserved 0.0039 0.0076 0.0122
Trypanosoma cruzi DNA polymerase kappa, putative 0.0184 0.1169 0.3843
Mycobacterium tuberculosis Probable soluble pyridine nucleotide transhydrogenase SthA (STH) (NAD(P)(+) transhydrogenase [B-specific]) (nicotinamide nucleot 0.0147 0.0887 0.1042
Toxoplasma gondii pyridine nucleotide-disulfide oxidoreductase domain-containing protein 0.0039 0.0073 0.0244
Schistosoma mansoni hypothetical protein 0.006 0.0233 0.0233
Trypanosoma cruzi dihydrolipoamide dehydrogenase, putative 0.0147 0.0887 0.2882
Toxoplasma gondii pyridine nucleotide-disulfide oxidoreductase domain-containing protein 0.0039 0.0073 0.0244
Echinococcus multilocularis A kinase anchor protein 10, mitochondrial 0.0038 0.0068 0.0116
Plasmodium falciparum dihydrolipoyl dehydrogenase, mitochondrial 0.0147 0.0887 0.2979
Brugia malayi jmjC domain containing protein 0.0036 0.0047 0.0104
Trypanosoma brucei DNA polymerase kappa, putative 0.0102 0.0547 0.1725
Trypanosoma brucei DNA polymerase IV, putative 0.0184 0.1169 0.3843
Trypanosoma brucei DNA polymerase IV, putative 0.017 0.1062 0.3478
Schistosoma mansoni z-protein (S1r protein) 0.0038 0.0068 0.0068
Chlamydia trachomatis dihydrolipoyl dehydrogenase 0.0147 0.0887 1
Echinococcus multilocularis pyridine nucleotide disulfide oxidoreductase 0.0039 0.0073 0.0124
Echinococcus multilocularis dihydrolipoamide dehydrogenase 0.0147 0.0887 0.1515
Mycobacterium tuberculosis Putative ferredoxin reductase 0.0967 0.7076 0.8958
Onchocerca volvulus Serine\/threonine kinase homolog 0.0095 0.0496 0.0971
Loa Loa (eye worm) hypothetical protein 0.0097 0.0508 0.1138
Trypanosoma brucei DNA polymerase kappa, putative 0.0184 0.1169 0.3843
Trichomonas vaginalis conserved hypothetical protein 0.0038 0.0068 0.0053
Brugia malayi polk-prov protein 0.0097 0.0508 0.1138
Entamoeba histolytica hypothetical protein 0.0042 0.0095 0.0281
Plasmodium vivax dihydrolipoyl dehydrogenase, apicoplast, putative 0.0147 0.0887 0.2979
Mycobacterium tuberculosis Possible DNA-damage-inducible protein P DinP (DNA polymerase V) (pol IV 2) (DNA nucleotidyltransferase (DNA-directed)) 0.0141 0.0845 0.0988
Toxoplasma gondii hypothetical protein 0.0048 0.0144 0.0482
Entamoeba histolytica disulphide oxidoreductase, putative 0.0039 0.0073 0.0167
Trypanosoma brucei DNA polymerase kappa, putative 0.0097 0.0508 0.159
Echinococcus multilocularis glutamate synthase 0.0039 0.0073 0.0124
Trypanosoma brucei DNA polymerase kappa, putative 0.0184 0.1169 0.3843
Plasmodium vivax dihydrolipoyl dehydrogenase, mitochondrial, putative 0.0147 0.0887 0.2979
Leishmania major hypothetical protein, conserved 0.0039 0.0073 0.011
Schistosoma mansoni hypothetical protein 0.0039 0.0073 0.0073
Trypanosoma brucei tyrosyl-DNA Phosphodiesterase (Tdp1), putative 0.0077 0.0359 0.1083
Brugia malayi Pyridine nucleotide-disulphide oxidoreductase, dimerisation domain containing protein 0.0108 0.0593 0.1329
Trypanosoma cruzi polo-like protein kinase, putative 0.0095 0.0496 0.1551
Entamoeba histolytica fructose-1,6-bisphosphate aldolase, putative 0.029 0.1969 1
Plasmodium vivax glutathione reductase, putative 0.0424 0.2978 1
Trypanosoma cruzi trypanothione reductase, putative 0.0147 0.0887 0.2882
Leishmania major 2-oxoglutarate dehydrogenase, e3 component, lipoamidedehydrogenase-like protein 0.0147 0.0887 0.2882
Brugia malayi regulator of G-protein signaling egl-10 0.0038 0.0068 0.0152
Echinococcus granulosus regulator of G protein signaling 7 0.0038 0.0068 0.0125
Schistosoma mansoni sulfide quinone reductase 0.0039 0.0073 0.0073
Brugia malayi Pre-SET motif family protein 0.0089 0.045 0.1009
Echinococcus granulosus expressed protein 0.0746 0.5409 1
Toxoplasma gondii non-proton pumping type-II NADH dehydrogenase I 0.0039 0.0073 0.0244
Loa Loa (eye worm) programmed cell death 8 0.0039 0.0073 0.0163
Leishmania major acetoin dehydrogenase e3 component-like protein 0.0147 0.0887 0.2882
Trypanosoma brucei trypanothione reductase 0.0424 0.2978 1
Echinococcus multilocularis L aminoadipate semialdehyde 0.0083 0.0402 0.0686
Giardia lamblia Thioredoxin reductase 0.0039 0.0073 0.037
Echinococcus granulosus pyridine nucleotide disulfide oxidoreductase 0.0039 0.0073 0.0135
Trichomonas vaginalis rotamase, putative 0.0066 0.0277 0.0467
Echinococcus multilocularis axis inhibition protein axin 0.0038 0.0068 0.0116
Loa Loa (eye worm) hypothetical protein 0.0049 0.0146 0.0327
Trypanosoma cruzi mitochondrial DNA polymerase beta-PAK, putative 0.0051 0.0166 0.0429
Trypanosoma cruzi DNA polymerase kappa, putative 0.0184 0.1169 0.3843
Leishmania major trypanothione reductase 0.0424 0.2978 1
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0045 0.012 0.012
Trypanosoma brucei DNA polymerase kappa, putative 0.0184 0.1169 0.3843
Echinococcus granulosus thioredoxin glutathione reductase 0.0426 0.2997 0.554
Trypanosoma brucei DNA damage repair protein, putative 0.0039 0.0076 0.0122
Brugia malayi GTP-binding regulatory protein Gs alpha-S chain, putative 0.0045 0.012 0.0269
Trypanosoma cruzi NADPH:adrenodoxin oxidoreductase, mitochondrial, putative 0.0039 0.0073 0.011
Toxoplasma gondii pyruvate dehydrogenase complex subunit PDH-E3II 0.0147 0.0887 0.2979
Loa Loa (eye worm) hypothetical protein 0.0038 0.0068 0.0152
Loa Loa (eye worm) jmjC domain-containing protein 0.0036 0.0047 0.0104
Entamoeba histolytica hypothetical protein 0.0042 0.0095 0.0281
Brugia malayi aminoadipate-semialdehyde dehydrogenase-phosphopantetheinyl transferase 0.0083 0.0402 0.0901
Loa Loa (eye worm) hypothetical protein 0.005 0.0158 0.0355
Leishmania major 2,4-dienoyl-coa reductase-like protein 0.0039 0.0073 0.011
Onchocerca volvulus 0.0706 0.5107 1
Trichomonas vaginalis dihydroorotate dehydrogenase, putative 0.0039 0.0073 0.0064
Trypanosoma brucei DNA polymerase kappa, putative 0.0184 0.1169 0.3843
Loa Loa (eye worm) jmjC domain-containing protein 0.0061 0.0236 0.0529
Mycobacterium tuberculosis Conserved hypothetical protein 0.0158 0.0971 0.1149
Trypanosoma brucei DNA polymerase kappa, putative 0.0184 0.1169 0.3843
Trichomonas vaginalis CAMK family protein kinase 0.0095 0.0496 0.0899
Toxoplasma gondii ImpB/MucB/SamB family protein 0.0039 0.0076 0.0256
Mycobacterium leprae Isocitrate lyase 0.0237 0.1568 0.1913
Leishmania major NADH dehydrogenase, putative 0.0039 0.0073 0.011
Toxoplasma gondii pyridine nucleotide-disulfide oxidoreductase domain-containing protein 0.0039 0.0073 0.0244
Schistosoma mansoni kinase 0.0048 0.0143 0.0143
Trypanosoma brucei DNA polymerase kappa, putative 0.0184 0.1169 0.3843
Giardia lamblia DNA damage repair protein 0.0039 0.0076 0.0387
Loa Loa (eye worm) hypothetical protein 0.0038 0.0068 0.0152
Echinococcus granulosus L aminoadipate semialdehyde 0.0083 0.0402 0.0743
Mycobacterium ulcerans fructose-bisphosphate aldolase 0.0142 0.0849 0.2202
Mycobacterium tuberculosis Probable reductase 0.0967 0.7076 0.8958
Mycobacterium ulcerans DNA polymerase IV 0.0184 0.1169 0.3112
Trypanosoma cruzi hypothetical protein, conserved 0.0039 0.0073 0.011
Brugia malayi Pyridine nucleotide-disulphide oxidoreductase family protein 0.0039 0.0073 0.0163
Echinococcus granulosus transcription factor btf3 0.0035 0.0041 0.0075
Trypanosoma cruzi mitochondrial DNA polymerase beta-PAK, putative 0.0042 0.0097 0.0191
Schistosoma mansoni aminoadipate-semialdehyde dehydrogenase 0.0083 0.0402 0.0402
Echinococcus multilocularis fatty acid binding protein FABP2 0.0042 0.0093 0.0159
Schistosoma mansoni regulator of G protein signaling 3 rgs3 0.0038 0.0068 0.0068
Echinococcus granulosus Transcription factor JmjC domain containing protein 0.0096 0.0504 0.0932
Leishmania major DNA polymerase kappa, putative,DNA polymerase IV, putative 0.0141 0.0845 0.2739
Echinococcus granulosus jumonji domain containing protein 0.0041 0.0087 0.016
Loa Loa (eye worm) hypothetical protein 0.0038 0.0068 0.0152
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0089 0.045 0.045
Trichomonas vaginalis CAMK family protein kinase 0.0095 0.0496 0.0899
Leishmania major mitochondrial DNA polymerase beta 0.03 0.2042 0.6815
Trypanosoma brucei chrX additional, unordered contigs 0.0039 0.0076 0.0122
Loa Loa (eye worm) ImpB/MucB/SamB family protein 0.0127 0.0738 0.1654
Entamoeba histolytica pyridine nucleotide-disulfide oxidoreductase family protein 0.0039 0.0073 0.0167
Schistosoma mansoni serine/threonine protein kinase 0.0039 0.007 0.007
Echinococcus granulosus fatty acid binding protein FABP2 0.0042 0.0093 0.0172
Loa Loa (eye worm) hypothetical protein 0.0038 0.0068 0.0152
Mycobacterium ulcerans dihydrolipoamide dehydrogenase, LpdB 0.0147 0.0887 0.2311
Brugia malayi Tyrosyl-DNA phosphodiesterase family protein 0.0077 0.0359 0.0804
Brugia malayi hypothetical protein 0.0042 0.0095 0.0213
Echinococcus multilocularis NADPH:adrenodoxin oxidoreductase 0.0039 0.0073 0.0124
Trichomonas vaginalis conserved hypothetical protein 0.0038 0.0068 0.0053
Mycobacterium leprae DIHYDROLIPOAMIDE DEHYDROGENASE LPD (LIPOAMIDE REDUCTASE (NADH)) (LIPOYL DEHYDROGENASE) (DIHYDROLIPOYL DEHYDROGENASE) (DIAPHORASE 0.1075 0.789 1
Trichomonas vaginalis CAMK family protein kinase 0.0095 0.0496 0.0899
Giardia lamblia DINP protein human, muc B family 0.0141 0.0845 0.4291
Schistosoma mansoni transcription factor btf3 0.0035 0.0041 0.0041
Trichomonas vaginalis regulator of G protein signaling 5, rgs5, putative 0.0038 0.0068 0.0053
Toxoplasma gondii thioredoxin reductase 0.0424 0.2978 1
Schistosoma mansoni terminal deoxycytidyl transferase 0.0127 0.0738 0.0738
Leishmania major DNA polymerase kappa, putative 0.0039 0.0076 0.0122
Schistosoma mansoni tyrosyl-DNA phosphodiesterase 0.0077 0.0359 0.0359
Entamoeba histolytica thioredoxin reductase, putative 0.0039 0.0073 0.0167
Plasmodium vivax thioredoxin reductase, putative 0.0424 0.2978 1
Echinococcus multilocularis regulator of G protein signaling 7 0.0038 0.0068 0.0116
Echinococcus granulosus Regulator of G protein signaling 20 0.0038 0.0068 0.0125
Trichomonas vaginalis dihydroorotate dehydrogenase, putative 0.0039 0.0073 0.0064
Brugia malayi hypothetical protein 0.0038 0.0068 0.0152
Onchocerca volvulus 0.0083 0.0402 0.0787
Loa Loa (eye worm) thioredoxin reductase 0.0424 0.2978 0.6676
Entamoeba histolytica glutamate synthase beta subunit, putative 0.0039 0.0073 0.0167
Entamoeba histolytica NAD(FAD)-dependent dehydrogenase, putative 0.0039 0.0073 0.0167
Entamoeba histolytica peptidyl-prolyl cis-trans isomerase, putative 0.0064 0.0265 0.1165
Trichomonas vaginalis CAMK family protein kinase 0.0095 0.0496 0.0899
Brugia malayi ImpB/MucB/SamB family protein 0.0127 0.0738 0.1654
Echinococcus multilocularis Regulator of G protein signaling 20 0.0038 0.0068 0.0116
Schistosoma mansoni rab geranylgeranyl transferase alpha subunit 0.0127 0.0738 0.0738
Trypanosoma cruzi dihydrolipoamide dehydrogenase, putative 0.0147 0.0887 0.2882
Loa Loa (eye worm) hypothetical protein 0.0178 0.1121 0.2513
Schistosoma mansoni regulator of G protein signaling 0.0038 0.0068 0.0068
Trichomonas vaginalis conserved hypothetical protein 0.0038 0.0068 0.0053
Schistosoma mansoni glutamate synthase 0.0039 0.0073 0.0073
Treponema pallidum fructose-bisphosphate aldolase 0.029 0.1969 1
Mycobacterium ulcerans isocitrate lyase AceAb 0.0506 0.3596 1
Leishmania major DNA polymerase eta, putative 0.009 0.0459 0.1425
Schistosoma mansoni microtubule-associated protein tau 0.0685 0.4951 0.4951
Schistosoma mansoni axis inhibition protein axin 0.0038 0.0068 0.0068
Trypanosoma brucei DNA polymerase eta, putative 0.0178 0.1121 0.3677
Trypanosoma brucei DNA polymerase IV, putative 0.0184 0.1169 0.3843
Trypanosoma cruzi DNA polymerase kappa, putative 0.0184 0.1169 0.3843
Trypanosoma cruzi hypothetical protein, conserved 0.0039 0.0076 0.0122
Echinococcus multilocularis geminin 0.0168 0.1049 0.1791
Trypanosoma brucei DNA polymerase kappa, putative 0.0102 0.0547 0.1725
Trypanosoma brucei mitochondrial DNA polymerase beta 0.03 0.2042 0.6815
Trypanosoma cruzi peptidyl-prolyl cis-trans isomerase 0.0064 0.0265 0.0765
Trypanosoma brucei DNA damage repair protein, putative 0.0039 0.0076 0.0122
Mycobacterium tuberculosis Dihydrolipoamide dehydrogenase LpdC (lipoamide reductase (NADH)) (lipoyl dehydrogenase) (dihydrolipoyl dehydrogenase) (diaphoras 0.1075 0.789 1
Trypanosoma brucei DNA polymerase kappa, putative 0.0097 0.0508 0.159
Trypanosoma brucei DNA polymerase kappa, putative 0.0141 0.0845 0.2739
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.029 0.1969 0.3807
Mycobacterium leprae PROBABLE NADH DEHYDROGENASE NDH 0.0967 0.7076 0.8958
Leishmania major protein kinase, putative,polo-like protein kinase, putative 0.0095 0.0496 0.1551
Trypanosoma cruzi DNA damage repair protein, putative 0.0039 0.0076 0.0122
Schistosoma mansoni regulator of G protein signaling 0.0038 0.0068 0.0068
Mycobacterium tuberculosis Probable oxidoreductase 0.1075 0.789 1
Mycobacterium ulcerans hypothetical protein 0.0158 0.0971 0.2549
Echinococcus multilocularis tumor protein p63 0.0333 0.2289 0.3908
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.029 0.1969 0.3807
Schistosoma mansoni histone-lysine n-methyltransferase suv9 0.0089 0.045 0.045
Leishmania major tyrosyl-DNA phosphodiesterase 1 0.0077 0.0359 0.1083
Echinococcus granulosus axis inhibition protein axin 0.0038 0.0068 0.0125
Trypanosoma cruzi DNA polymerase beta thumb, putative 0.0042 0.0097 0.0191
Mycobacterium tuberculosis Probable isocitrate lyase AceAa [first part] (isocitrase) (isocitratase) (Icl) 0.0506 0.3596 0.4507
Echinococcus multilocularis dna polymerase eta 0.0178 0.1121 0.1914
Entamoeba histolytica deoxycytidyl transferase, putative 0.0127 0.0738 0.3616
Mycobacterium leprae Probable fructose bisphosphate aldolase Fba 0.0142 0.0849 0.0992
Schistosoma mansoni DNA polymerase IV / kappa 0.0039 0.0076 0.0076
Schistosoma mansoni jumonji/arid domain-containing protein 0.0036 0.0047 0.0047
Echinococcus granulosus Basic leucine zipper bZIP transcription 0.0042 0.0095 0.0175
Giardia lamblia Fructose-bisphosphate aldolase 0.029 0.1969 1
Mycobacterium tuberculosis NAD(P)H quinone reductase LpdA 0.1075 0.789 1
Mycobacterium ulcerans dihydrolipoamide dehydrogenase 0.0147 0.0887 0.2311
Leishmania major mitochondrial DNA polymerase beta-PAK, putative 0.0142 0.085 0.2755
Loa Loa (eye worm) transcription factor SMAD2 0.0119 0.0673 0.151
Brugia malayi A-kinase anchor protein 10, precursor 0.0038 0.0068 0.0152
Brugia malayi Pyridine nucleotide-disulphide oxidoreductase family protein 0.0039 0.0073 0.0163
Brugia malayi beta-NAC-like protein 0.0035 0.0041 0.0091
Trichomonas vaginalis mercuric reductase, putative 0.0147 0.0887 0.1671
Toxoplasma gondii NADH dehydrogenase (NDH2-II) 0.0039 0.0073 0.0244
Echinococcus multilocularis terminal deoxycytidyl transferase rev1 0.0127 0.0738 0.126
Echinococcus multilocularis sulfide:quinone oxidoreductase 0.0039 0.0073 0.0124
Trypanosoma cruzi tyrosyl-DNA Phosphodiesterase (Tdp1), putative 0.0077 0.0359 0.1083
Schistosoma mansoni dihydrolipoamide dehydrogenase 0.0147 0.0887 0.0887
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0045 0.012 0.012
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.029 0.1969 0.3807
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.029 0.1969 0.3807
Schistosoma mansoni regulator of G protein signaling 17 19 20 (rgs17 19 20) 0.0038 0.0068 0.0068
Echinococcus granulosus tyrosyl DNA phosphodiesterase 1 0.0077 0.0359 0.0663
Trypanosoma cruzi DNA polymerase eta, putative 0.009 0.0459 0.1425
Giardia lamblia Glutamate synthase 0.0039 0.0073 0.037
Schistosoma mansoni jumonji/arid domain-containing protein 0.0036 0.0047 0.0047
Echinococcus multilocularis transcription factor Dp 1 0.0044 0.0114 0.0195
Trichomonas vaginalis CAMK family protein kinase 0.0047 0.0134 0.0184
Brugia malayi dihydrolipoyl dehydrogenase, mitochondrial precursor, putative 0.0147 0.0887 0.1989
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.029 0.1969 0.3807
Plasmodium falciparum basic transcription factor 3b, putative 0.0035 0.0041 0.0136
Trypanosoma cruzi dihydrolipoamide dehydrogenase, putative 0.0147 0.0887 0.2882
Mycobacterium ulcerans flavoprotein disulfide reductase 0.0147 0.0887 0.2311
Echinococcus multilocularis dihydropyrimidine dehydrogenase (NADP+) 0.0039 0.0073 0.0124
Plasmodium falciparum thioredoxin reductase 0.0424 0.2978 1
Plasmodium falciparum thioredoxin reductase 0.0147 0.0887 0.2979
Trypanosoma cruzi hypothetical protein, conserved 0.0039 0.0073 0.011
Entamoeba histolytica tyrosyl-DNA phosphodiesterase, putative 0.0077 0.0359 0.165
Entamoeba histolytica hypothetical protein 0.0038 0.0068 0.0141
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0045 0.012 0.0222
Echinococcus granulosus apoptosis inducing factor 1 mitochondrial 0.0039 0.0073 0.0135
Trypanosoma brucei DNA polymerase kappa, putative 0.0184 0.1169 0.3843
Loa Loa (eye worm) hypothetical protein 0.0038 0.0068 0.0152
Schistosoma mansoni disulfide oxidoreductase 0.0039 0.0073 0.0073
Entamoeba histolytica fructose-1,6-bisphosphate aldolase, putative 0.029 0.1969 1
Loa Loa (eye worm) hypothetical protein 0.0083 0.0402 0.0901
Plasmodium vivax DNA repair protein REV1, putative 0.0039 0.0076 0.0256
Loa Loa (eye worm) tyrosyl-DNA phosphodiesterase 0.0077 0.0359 0.0804
Loa Loa (eye worm) hypothetical protein 0.0089 0.045 0.1009
Schistosoma mansoni glutamate synthase 0.0039 0.0073 0.0073
Echinococcus multilocularis serine:threonine protein kinase PLK1 0.0095 0.0496 0.0847
Loa Loa (eye worm) lipocalin/cytosolic fatty-acid binding protein family protein 0.0042 0.0093 0.0209
Trypanosoma brucei NADH dehydrogenase 0.0039 0.0073 0.011
Brugia malayi glutathione reductase 0.0424 0.2978 0.6676
Loa Loa (eye worm) AGC/GRK/BARK protein kinase 0.0039 0.007 0.0157
Loa Loa (eye worm) PLK/PLK1 protein kinase 0.0095 0.0496 0.1112
Giardia lamblia Kinase, PLK 0.0095 0.0496 0.2519
Plasmodium vivax SET domain protein, putative 0.0089 0.045 0.1511
Trichomonas vaginalis disulfide oxidoreductase, putative 0.0039 0.0073 0.0064
Echinococcus multilocularis regulator of G protein signaling 0.0038 0.0068 0.0116
Plasmodium falciparum NAD(P)H-dependent glutamate synthase, putative 0.0039 0.0073 0.0244
Echinococcus granulosus tumor protein p63 0.0333 0.2289 0.4231
Echinococcus granulosus axis inhibition protein axin 0.0038 0.0068 0.0125
Mycobacterium tuberculosis Conserved hypothetical protein 0.0127 0.0738 0.0851
Leishmania major DNA damage repair protein, putative 0.0039 0.0076 0.0122
Echinococcus multilocularis atpase aaa+ type core atpase aaa type core 0.0805 0.5857 1
Brugia malayi glutamate synthase 0.0039 0.0073 0.0163
Brugia malayi hypothetical protein 0.0038 0.0068 0.0152
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0045 0.012 0.0205
Mycobacterium tuberculosis NADPH-dependent mycothiol reductase Mtr 0.0424 0.2978 0.3716
Trypanosoma brucei unspecified product 0.0088 0.044 0.136
Trichomonas vaginalis CAMK family protein kinase 0.0095 0.0496 0.0899
Schistosoma mansoni hypothetical protein 0.0042 0.0095 0.0095
Plasmodium vivax basic transcription factor 3b, putative 0.0035 0.0041 0.0136
Entamoeba histolytica dihydropyrimidine dehydrogenase, putative 0.0039 0.0073 0.0167
Echinococcus granulosus transcription factor Dp 1 0.0044 0.0114 0.0212
Echinococcus multilocularis expressed protein 0.0066 0.0277 0.0473
Echinococcus granulosus geminin 0.0168 0.1049 0.1939
Mycobacterium tuberculosis Isocitrate lyase Icl (isocitrase) (isocitratase) 0.0506 0.3596 0.4507
Trypanosoma cruzi DNA polymerase beta thumb, putative 0.0042 0.0097 0.0191
Toxoplasma gondii selenide, water dikinase 0.0039 0.0073 0.0244
Echinococcus granulosus regulator of G protein signaling 3 0.0038 0.0068 0.0125
Trypanosoma cruzi dihydrolipoyl dehydrogenase, putative 0.0147 0.0887 0.2882
Leishmania major 2,4-dienoyl-coa reductase fadh1, putative 0.0039 0.0073 0.011
Trypanosoma cruzi NADH dehydrogenase, putative 0.0039 0.0073 0.011
Echinococcus multilocularis microtubule associated protein 2 0.0685 0.4951 0.8454
Echinococcus granulosus histone lysine methyltransferase setb 0.0089 0.045 0.0832
Toxoplasma gondii BRCA1 C Terminus (BRCT) domain-containing protein 0.0054 0.0183 0.0616
Trichomonas vaginalis rotamase, putative 0.0064 0.0265 0.0443
Echinococcus granulosus A kinase anchor protein 10 mitochondrial 0.0038 0.0068 0.0125
Trypanosoma brucei pyridine nucleotide-disulphide oxidoreductase, putative 0.0039 0.0073 0.011
Brugia malayi alpha keto acid dehydrogenase complex, E3 component, lipoamide dehydrogenase 0.0108 0.0593 0.1329
Echinococcus granulosus serine:threonine protein kinase PLK1 0.0095 0.0496 0.0917
Echinococcus granulosus regulator of G protein signaling 3 0.0038 0.0068 0.0125
Brugia malayi Regulator of G protein signaling domain containing protein 0.0038 0.0068 0.0152
Trypanosoma brucei DNA polymerase beta thumb, putative 0.0042 0.0097 0.0191
Trypanosoma brucei 2,4-dienoyl-coa reductase-like protein 0.0039 0.0073 0.011
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0045 0.012 0.0222
Schistosoma mansoni rotamase 0.0066 0.0277 0.0277
Echinococcus granulosus dihydropyrimidine dehydrogenase NADP 0.0039 0.0073 0.0135
Echinococcus multilocularis beta adrenergic receptor kinase 0.0039 0.007 0.012
Brugia malayi PXA domain containing protein 0.0038 0.0068 0.0152
Echinococcus multilocularis lysine specific demethylase 5A 0.0036 0.0047 0.008
Brugia malayi serine/threonine-protein kinase plk-2 0.0095 0.0496 0.1112
Brugia malayi MH2 domain containing protein 0.0119 0.0673 0.151
Trypanosoma cruzi DNA polymerase eta, putative 0.0178 0.1121 0.3677
Leishmania major hypothetical protein, conserved 0.0039 0.0073 0.011
Plasmodium vivax NAD(P)H-dependent glutamate synthase, putative 0.0039 0.0073 0.0244
Brugia malayi regulator of G-protein signaling rgs-7 0.0038 0.0068 0.0152
Giardia lamblia NADH oxidase lateral transfer candidate 0.0147 0.0887 0.4505
Echinococcus multilocularis transcription factor btf3 0.0035 0.0041 0.0069
Trichomonas vaginalis disulfide oxidoreductase, putative 0.0039 0.0073 0.0064
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0045 0.012 0.0205
Trypanosoma cruzi dihydrolipoamide dehydrogenase, putative 0.0147 0.0887 0.2882

Activities

Activity type Activity value Assay description Source Reference
ED50 (functional) = 48 mg kg-1 Acetylcholine writhing inhibitory activity measured in vivo in mouse by peroral administration ChEMBL. 1900533
IC50 (binding) = 79 uM Concentration required to inhibit 50% activity of prostaglandin synthetase was determined in vitro in mouse brain microsomes ChEMBL. 1900533

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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