Detailed information for compound 141030

Basic information

Technical information
  • TDR Targets ID: 141030
  • Name: (1R,2R)-2-spiro[indene-1,4'-piperidine]-1'-yl cyclohexan-1-ol
  • MW: 283.408 | Formula: C19H25NO
  • H donors: 1 H acceptors: 1 LogP: 3.69 Rotable bonds: 1
    Rule of 5 violations (Lipinski): 1
  • SMILES: O[C@@H]1CCCC[C@H]1N1CCC2(CC1)C=Cc1c2cccc1
  • InChi: 1S/C19H25NO/c21-18-8-4-3-7-17(18)20-13-11-19(12-14-20)10-9-15-5-1-2-6-16(15)19/h1-2,5-6,9-10,17-18,21H,3-4,7-8,11-14H2/t17-,18-/m1/s1
  • InChiKey: FEEFZGDKGSHQMH-QZTJIDSGSA-N  


Substructure search Similarity search

Network

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Synonyms

  • (1R,2R)-2-spiro[indene-1,4'-piperidine]-1'-ylcyclohexanol
  • (1R,2R)-2-(1'-spiro[indene-1,4'-piperidine]yl)cyclohexanol
  • (1R,2R)-2-(1'-spiro[indene-1,4'-piperidine]yl)-1-cyclohexanol

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Torpedo californica Vesicular acetylcholine transporter Starlite/ChEMBL References

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Echinococcus multilocularis vesicular acetylcholine transporter Get druggable targets OG5_133283 All targets in OG5_133283
Onchocerca volvulus Vesicular acetylcholine transporter homolog Get druggable targets OG5_133283 All targets in OG5_133283
Echinococcus granulosus vesicular acetylcholine transporter Get druggable targets OG5_133283 All targets in OG5_133283
Loa Loa (eye worm) vesicular acetylcholine transporter unc-17 Get druggable targets OG5_133283 All targets in OG5_133283
Brugia malayi vesicular acetylcholine transporter unc-17 Get druggable targets OG5_133283 All targets in OG5_133283
Schistosoma japonicum ko:K08155 MFS transporter, DHA1 family, solute carrier family 18 (vesicular, putative Get druggable targets OG5_133283 All targets in OG5_133283
Schistosoma mansoni vesicular acetylcholine transporter Get druggable targets OG5_133283 All targets in OG5_133283
By sequence similarity to non orthologous known druggable targets
Species Potential target Known druggable target Length Alignment span Identity
Loa Loa (eye worm) abnormal catecholamine distribution protein 1 Vesicular acetylcholine transporter   515 aa 427 aa 38.6 %
Onchocerca volvulus Vesicular acetylcholine transporter   515 aa 456 aa 53.1 %
Brugia malayi Abnormal catecholamine distribution protein 1 Vesicular acetylcholine transporter   515 aa 431 aa 37.6 %
Obtained from network model

Ranking Plot

Putative Targets List

Species Potential target Raw Global Species
Trypanosoma cruzi nitroreductase 0.0595 0.7287 1
Loa Loa (eye worm) hypoxia-induced factor 1 0.0146 0.169 0.5265
Mycobacterium tuberculosis Probable membrane NADH dehydrogenase NdhA 0.0114 0.1282 0.7654
Brugia malayi 6-phosphofructokinase 0.0109 0.1222 0.3705
Trypanosoma cruzi dihydrolipoamide dehydrogenase, putative 0.0038 0.0333 0.0435
Echinococcus granulosus histone acetyltransferase KAT2B 0.0141 0.1624 0.5083
Toxoplasma gondii LsmAD domain-containing protein 0.0025 0.0169 0.0127
Mycobacterium tuberculosis Probable NADH dehydrogenase Ndh 0.0114 0.1282 0.7654
Echinococcus granulosus vesicular acetylcholine transporter 0.0267 0.3195 1
Loa Loa (eye worm) glutathione reductase 0.0109 0.1219 0.3784
Mycobacterium tuberculosis Probable F420 biosynthesis protein FbiB 0.0052 0.0517 0.2456
Brugia malayi hypothetical protein 0.0159 0.1843 0.5688
Leishmania major acetoin dehydrogenase e3 component-like protein 0.0038 0.0333 0.0435
Brugia malayi ecdysteroid receptor 0.002 0.0112 0.0164
Loa Loa (eye worm) hypothetical protein 0.002 0.0112 0.0301
Trichomonas vaginalis cat eye syndrome critical region protein 2, cscr2, putative 0.0043 0.0396 0.1351
Loa Loa (eye worm) hypothetical protein 0.002 0.0112 0.0301
Mycobacterium leprae Possible oxidoreductase 0.0052 0.0517 0.3107
Loa Loa (eye worm) nuclear hormone receptor family member nhr-14 0.002 0.0112 0.0301
Echinococcus multilocularis vesicular acetylcholine transporter 0.0267 0.3195 0.3195
Chlamydia trachomatis fructose-6-phosphate phosphotransferase 0.0029 0.023 0.6752
Leishmania major cytochrome p450-like protein 0.0019 0.0098 0.0112
Brugia malayi Nuclear hormone receptor family member nhr-1 0.002 0.0112 0.0164
Echinococcus multilocularis ecdysone induced protein 78C 0.002 0.0112 0.0112
Schistosoma mansoni vesicular acetylcholine transporter 0.0267 0.3195 1
Trypanosoma brucei nitroreductase 0.0595 0.7287 1
Schistosoma mansoni 6-phosphofructokinase 0.0109 0.1222 0.3824
Brugia malayi Steroid receptor seven-up type 2 0.002 0.0112 0.0164
Trypanosoma cruzi nitroreductase 0.0595 0.7287 1
Trichomonas vaginalis conserved hypothetical protein 0.0052 0.0517 0.1782
Trypanosoma cruzi dihydrolipoamide dehydrogenase, putative 0.0038 0.0333 0.0435
Giardia lamblia Nitroreductase family protein fused to ferredoxin domain Fd-NR1 0.0052 0.0517 1
Loa Loa (eye worm) hypothetical protein 0.002 0.0112 0.0301
Brugia malayi Nuclear hormone receptor family member nhr-41 0.002 0.0112 0.0164
Loa Loa (eye worm) cytochrome P450 family protein 0.0019 0.0098 0.0257
Entamoeba histolytica pyrophosphate-dependent phosphofructokinase 0.0029 0.023 0.0701
Echinococcus granulosus nuclear receptor 2DBD gamma 0.002 0.0112 0.035
Schistosoma mansoni photoreceptor-specific nuclear receptor related 0.002 0.0112 0.035
Brugia malayi steroid hormone receptor 0.002 0.0112 0.0164
Onchocerca volvulus Bile acid receptor homolog 0.002 0.0112 0.0301
Echinococcus multilocularis nuclear receptor 2DBD gamma 0.002 0.0112 0.0112
Echinococcus granulosus histone lysine methyltransferase setb 0.003 0.0236 0.0739
Mycobacterium ulcerans putative regulatory protein 0.0035 0.03 0.1795
Plasmodium vivax ataxin-2 like protein, putative 0.0025 0.0169 0.0127
Echinococcus multilocularis Aryl hydrocarbon receptor nuclear 0.0012 0.0016 0.0016
Mycobacterium ulcerans 4'-phosphopantetheinyl transferase 0.0023 0.0155 0.0509
Plasmodium falciparum glutathione reductase 0.0038 0.0333 0.167
Brugia malayi Cytochrome P450 family protein 0.0019 0.0098 0.012
Schistosoma mansoni FTZ-F1 nuclear receptor-like protein 0.002 0.0112 0.035
Schistosoma mansoni gcn5proteinral control of amino-acid synthesis 5-like 2 gcnl2 0.0145 0.1675 0.5242
Echinococcus multilocularis hepatocyte nuclear factor 4 alpha 0.002 0.0112 0.0112
Plasmodium falciparum glutathione reductase 0.0109 0.1219 1
Mycobacterium ulcerans hypothetical protein 0.0052 0.0517 0.3726
Echinococcus multilocularis dihydrolipoamide dehydrogenase 0.0038 0.0333 0.0333
Mycobacterium tuberculosis Probable reductase 0.0114 0.1282 0.7654
Loa Loa (eye worm) hypothetical protein 0.002 0.0112 0.0301
Echinococcus multilocularis thioredoxin glutathione reductase 0.0109 0.1219 0.1219
Echinococcus multilocularis muscleblind protein 0.015 0.173 0.173
Loa Loa (eye worm) thioredoxin reductase 0.0109 0.1219 0.3784
Plasmodium vivax 6-phosphofructokinase, putative 0.0029 0.023 0.0703
Trypanosoma cruzi dihydrolipoyl dehydrogenase, putative 0.0038 0.0333 0.0435
Trypanosoma brucei ATP-dependent 6-phosphofructokinase, glycosomal 0.0109 0.1222 0.1563
Schistosoma mansoni RAR-like nuclear receptor 0.002 0.0112 0.035
Brugia malayi phosphofructokinase 0.0109 0.1222 0.3705
Mycobacterium tuberculosis Probable soluble pyridine nucleotide transhydrogenase SthA (STH) (NAD(P)(+) transhydrogenase [B-specific]) (nicotinamide nucleot 0.0038 0.0333 0.1207
Brugia malayi Nuclear hormone receptor family member nhr-19 0.002 0.0112 0.0164
Echinococcus multilocularis muscleblind protein 1 0.015 0.173 0.173
Toxoplasma gondii pyruvate dehydrogenase complex subunit PDH-E3II 0.0038 0.0333 0.167
Toxoplasma gondii phosphofructokinase PFKII 0.0029 0.023 0.0703
Schistosoma mansoni 6-phosphofructokinase 0.0109 0.1222 0.3824
Mycobacterium tuberculosis NADPH-dependent mycothiol reductase Mtr 0.0109 0.1219 0.7229
Trypanosoma brucei trypanothione reductase 0.0109 0.1219 0.1559
Echinococcus multilocularis 6 phosphofructokinase 0.0109 0.1222 0.1222
Brugia malayi nitroreductase family protein 0.0052 0.0517 0.1456
Onchocerca volvulus 0.002 0.0112 0.0301
Plasmodium falciparum histone acetyltransferase GCN5 0.0039 0.0351 0.1844
Schistosoma mansoni coup transcription factor 0.002 0.0112 0.035
Trypanosoma brucei PAB1-binding protein , putative 0.0025 0.0169 0.0098
Loa Loa (eye worm) vesicular acetylcholine transporter unc-17 0.0267 0.3195 1
Mycobacterium tuberculosis Probable dehydrogenase 0.0114 0.1282 0.7654
Echinococcus multilocularis COUP TF:Svp nuclear hormone receptor 0.002 0.0112 0.0112
Trypanosoma brucei Nitroreductase family, putative 0.0052 0.0517 0.0582
Schistosoma mansoni Tr4/Tr2 (homologue) 0.002 0.0112 0.035
Echinococcus multilocularis Nuclear hormone receptor family member nhr 41 0.002 0.0112 0.0112
Trichomonas vaginalis phosphofructokinase, putative 0.0029 0.023 0.0761
Mycobacterium tuberculosis Conserved protein Acg 0.0052 0.0517 0.2456
Entamoeba histolytica hypothetical protein 0.0036 0.0313 0.1476
Wolbachia endosymbiont of Brugia malayi dihydrolipoamide dehydrogenase E3 component 0.0038 0.0333 1
Mycobacterium tuberculosis Probable oxidoreductase 0.0141 0.1627 1
Trypanosoma cruzi cytochrome P450, putative 0.0019 0.0098 0.0112
Brugia malayi alpha keto acid dehydrogenase complex, E3 component, lipoamide dehydrogenase 0.0028 0.0208 0.0471
Echinococcus multilocularis nuclear receptor 2DBD gamma 0.002 0.0112 0.0112
Leishmania major dihydrolipoamide dehydrogenase, putative 0.0038 0.0333 0.0435
Schistosoma mansoni transcription factor LCR-F1 0.0036 0.0313 0.0978
Mycobacterium ulcerans 6-phosphofructokinase 0.0109 0.1222 1
Brugia malayi PAS domain containing protein 0.0047 0.0453 0.1253
Mycobacterium tuberculosis Putative ferredoxin reductase 0.0114 0.1282 0.7654
Mycobacterium ulcerans nitroreductase 0.0052 0.0517 0.3726
Echinococcus granulosus single minded 2 0.0035 0.03 0.0938
Schistosoma mansoni thyroid hormone receptor 0.002 0.0112 0.035
Loa Loa (eye worm) hypothetical protein 0.0159 0.1843 0.5747
Toxoplasma gondii histone lysine acetyltransferase GCN5-A 0.0043 0.0396 0.2261
Loa Loa (eye worm) cytochrome P450 family protein 0.0019 0.0098 0.0257
Mycobacterium ulcerans dihydrolipoamide dehydrogenase, LpdB 0.0038 0.0333 0.2089
Trichomonas vaginalis phosphofructokinase, putative 0.0109 0.1222 0.4293
Mycobacterium leprae PROBABLE 6-PHOSPHOFRUCTOKINASE PFKA (PHOSPHOHEXOKINASE) (PHOSPHOFRUCTOKINASE) 0.0109 0.1222 0.7485
Loa Loa (eye worm) nuclear Hormone Receptor family member 0.002 0.0112 0.0301
Leishmania major phosphopantetheinyl transferase-like protein 0.0023 0.0155 0.0191
Mycobacterium tuberculosis Dihydrolipoamide dehydrogenase LpdC (lipoamide reductase (NADH)) (lipoyl dehydrogenase) (dihydrolipoyl dehydrogenase) (diaphoras 0.0141 0.1627 1
Chlamydia trachomatis holo [acyl-carrier protein] synthase 0.0023 0.0155 0.4389
Echinococcus granulosus retinoic acid receptor rxr beta a 0.002 0.0112 0.035
Entamoeba histolytica acetyltransferase, GNAT family 0.0039 0.0351 0.1839
Mycobacterium ulcerans hypothetical protein 0.0052 0.0517 0.3726
Brugia malayi Pyridine nucleotide-disulphide oxidoreductase, dimerisation domain containing protein 0.0028 0.0208 0.0471
Entamoeba histolytica hypothetical protein 0.0036 0.0313 0.1476
Trichomonas vaginalis phosphofructokinase, putative 0.0109 0.1222 0.4293
Trichomonas vaginalis 6-phosphofructokinase, putative 0.0029 0.023 0.0761
Echinococcus granulosus muscleblind protein 0.015 0.173 0.5416
Echinococcus multilocularis histone lysine N methyltransferase SETMAR 0.003 0.0236 0.0236
Trichomonas vaginalis phosphofructokinase, putative 0.0029 0.023 0.0761
Brugia malayi vesicular acetylcholine transporter unc-17 0.0267 0.3195 1
Leishmania major hypothetical protein, conserved 0.0052 0.0517 0.0688
Brugia malayi nuclear receptor NHR-88 0.002 0.0112 0.0164
Echinococcus granulosus L aminoadipate semialdehyde 0.0083 0.0902 0.2824
Entamoeba histolytica nitroreductase family protein 0.0052 0.0517 0.339
Trypanosoma brucei dihydrolipoamide dehydrogenase, point mutation 0.0038 0.0333 0.0327
Echinococcus granulosus nuclear receptor 2DBD gamma 0.002 0.0112 0.035
Echinococcus granulosus Nuclear hormone receptor family member nhr 41 0.002 0.0112 0.035
Mycobacterium tuberculosis Probable nitrite reductase [NAD(P)H] large subunit [FAD flavoprotein] NirB 0.0114 0.1282 0.7654
Loa Loa (eye worm) 6-phosphofructokinase 0.0109 0.1222 0.3792
Loa Loa (eye worm) hypothetical protein 0.0083 0.0902 0.2787
Trichomonas vaginalis phosphofructokinase, putative 0.0029 0.023 0.0761
Brugia malayi acetyltransferase, GNAT family protein 0.0145 0.1675 0.515
Echinococcus granulosus thioredoxin glutathione reductase 0.0109 0.1219 0.3815
Plasmodium vivax dihydrolipoyl dehydrogenase, apicoplast, putative 0.0038 0.0333 0.167
Trypanosoma cruzi dihydrolipoamide dehydrogenase, putative 0.0038 0.0333 0.0435
Loa Loa (eye worm) nuclear hormone receptor family member nhr-1 0.002 0.0112 0.0301
Mycobacterium ulcerans nitroreductase 0.0052 0.0517 0.3726
Trichomonas vaginalis conserved hypothetical protein 0.0052 0.0517 0.1782
Plasmodium vivax SET domain protein, putative 0.003 0.0236 0.076
Entamoeba histolytica nitroreductase family protein 0.0052 0.0517 0.339
Plasmodium falciparum ataxin-2 like protein, putative 0.0025 0.0169 0.0127
Onchocerca volvulus 0.0083 0.0902 0.2787
Brugia malayi aminoadipate-semialdehyde dehydrogenase-phosphopantetheinyl transferase 0.0083 0.0902 0.2686
Brugia malayi Nuclear hormone receptor family member nhr-3 0.002 0.0112 0.0164
Entamoeba histolytica hypothetical protein 0.0052 0.0517 0.339
Onchocerca volvulus Steroid hormone receptor family member cnr14 homolog 0.002 0.0112 0.0301
Mycobacterium leprae Probable F420 biosynthesis protein FbiB 0.0052 0.0517 0.3107
Giardia lamblia Nitroreductase family protein 0.0052 0.0517 1
Plasmodium falciparum ATP-dependent 6-phosphofructokinase 0.0029 0.023 0.0703
Trypanosoma cruzi dihydrolipoyl dehydrogenase, putative 0.0038 0.0333 0.0435
Loa Loa (eye worm) hypothetical protein 0.002 0.0112 0.0301
Entamoeba histolytica phosphofructokinase, putative 0.0109 0.1222 1
Trypanosoma brucei hypothetical protein, conserved 0.0023 0.0155 0.008
Loa Loa (eye worm) hypothetical protein 0.002 0.0112 0.0301
Entamoeba histolytica hypothetical protein 0.0036 0.0313 0.1476
Brugia malayi Nuclear hormone receptor family member nhr-31 0.002 0.0112 0.0164
Treponema pallidum NADH oxidase 0.0038 0.0333 0.1665
Trichomonas vaginalis phosphofructokinase, putative 0.0029 0.023 0.0761
Entamoeba histolytica nitroreductase family protein 0.0052 0.0517 0.339
Echinococcus multilocularis FTZ F1 nuclear receptor protein 0.002 0.0112 0.0112
Plasmodium vivax thioredoxin reductase, putative 0.0109 0.1219 1
Plasmodium falciparum dihydrolipoyl dehydrogenase, apicoplast 0.0038 0.0333 0.167
Mycobacterium ulcerans F420-0--gamma-glutamyl ligase 0.0052 0.0517 0.3726
Brugia malayi hypothetical protein 0.0036 0.0313 0.0805
Trypanosoma brucei Nitroreductase family, putative 0.0052 0.0517 0.0582
Mycobacterium tuberculosis Probable 6-phosphofructokinase PfkA (phosphohexokinase) (phosphofructokinase) 0.0109 0.1222 0.7247
Schistosoma mansoni retinoid-x-receptor (RXR) 0.002 0.0112 0.035
Plasmodium falciparum ATP-dependent 6-phosphofructokinase 0.0029 0.023 0.0703
Echinococcus granulosus FTZ F1 alpha 0.002 0.0112 0.035
Brugia malayi Ligand-binding domain of nuclear hormone receptor family protein 0.002 0.0112 0.0164
Loa Loa (eye worm) hypothetical protein 0.0052 0.0517 0.1574
Mycobacterium ulcerans dihydrolipoamide dehydrogenase 0.0038 0.0333 0.2089
Trichomonas vaginalis conserved hypothetical protein 0.0052 0.0517 0.1782
Brugia malayi Nuclear hormone receptor family member nhr-14 0.002 0.0112 0.0164
Brugia malayi nuclear hormone receptor 0.002 0.0112 0.0164
Trichomonas vaginalis phosphofructokinase, putative 0.0029 0.023 0.0761
Trichomonas vaginalis mercuric reductase, putative 0.0038 0.0333 0.1127
Entamoeba histolytica hypothetical protein 0.0036 0.0313 0.1476
Plasmodium vivax 6-phosphofructokinase, putative 0.0029 0.023 0.0703
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.003 0.0236 0.0739
Echinococcus granulosus FTZ F1 nuclear receptor protein 0.002 0.0112 0.035
Mycobacterium ulcerans nitroreductase 0.0052 0.0517 0.3726
Toxoplasma gondii 6-phosphofructokinase 0.0029 0.023 0.0703
Brugia malayi glutathione reductase 0.0109 0.1219 0.3696
Trypanosoma cruzi trypanothione reductase, putative 0.0038 0.0333 0.0435
Trichomonas vaginalis glutathione reductase, putative 0.0038 0.0333 0.1127
Brugia malayi bHLH-PAS transcription factor 0.0035 0.03 0.0764
Loa Loa (eye worm) acetyltransferase 0.0145 0.1675 0.5218
Loa Loa (eye worm) hypothetical protein 0.015 0.173 0.5392
Toxoplasma gondii histone lysine acetyltransferase GCN5-B 0.0043 0.0396 0.2261
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.003 0.0236 0.0739
Onchocerca volvulus Vesicular acetylcholine transporter homolog 0.0267 0.3195 1
Plasmodium falciparum ataxin-2 like protein, putative 0.0025 0.0169 0.0127
Brugia malayi 6-phosphofructokinase 0.0109 0.1222 0.3705
Trichomonas vaginalis bromodomain-containing protein, putative 0.0043 0.0396 0.1351
Trypanosoma cruzi cytochrome P450, putative 0.0019 0.0098 0.0112
Brugia malayi Nuclear hormone receptor-like 1 0.002 0.0112 0.0164
Loa Loa (eye worm) hypothetical protein 0.015 0.173 0.5392
Chlamydia trachomatis fructose-6-phosphate phosphotransferase 0.0029 0.023 0.6752
Brugia malayi Nuclear hormone receptor family member nhr-49 0.002 0.0112 0.0164
Brugia malayi Muscleblind-like protein 0.015 0.173 0.5327
Brugia malayi Nuclear hormone receptor family member nhr-19 0.002 0.0112 0.0164
Echinococcus multilocularis thyroid hormone receptor alpha 0.002 0.0112 0.0112
Leishmania major 2-oxoglutarate dehydrogenase, e3 component, lipoamidedehydrogenase-like protein 0.0038 0.0333 0.0435
Leishmania major nitroreductase-like protein 0.0595 0.7287 1
Brugia malayi hypoxia-induced factor 1 0.0146 0.169 0.5198
Leishmania major trypanothione reductase 0.0109 0.1219 0.1654
Trichomonas vaginalis phosphofructokinase, putative 0.0109 0.1222 0.4293
Trypanosoma cruzi PAB1-binding protein , putative 0.0025 0.0169 0.021
Schistosoma mansoni nuclear hormone receptor nor-1/nor-2 0.002 0.0112 0.035
Trichomonas vaginalis phosphofructokinase, putative 0.0029 0.023 0.0761
Plasmodium falciparum thioredoxin reductase 0.0109 0.1219 1
Brugia malayi Nuclear hormone receptor family member nhr-25 0.002 0.0112 0.0164
Mycobacterium ulcerans flavoprotein disulfide reductase 0.0038 0.0333 0.2089
Schistosoma mansoni nuclear receptor 2DBD-gamma 0.002 0.0112 0.035
Trypanosoma brucei dihydrolipoyl dehydrogenase 0.0038 0.0333 0.0327
Schistosoma mansoni thyroid hormone receptor 0.002 0.0112 0.035
Plasmodium vivax histone acetyltransferase GCN5, putative 0.0043 0.0396 0.2261
Giardia lamblia Nitroreductase Fd-NR2 0.0052 0.0517 1
Schistosoma mansoni nuclear hormone receptor 0.002 0.0112 0.035
Trichomonas vaginalis conserved hypothetical protein 0.0052 0.0517 0.1782
Brugia malayi hypothetical protein 0.0025 0.0169 0.0346
Toxoplasma gondii histone lysine methyltransferase SET/SUV39 0.003 0.0236 0.076
Schistosoma mansoni aryl hydrocarbon receptor 0.0047 0.0453 0.1418
Trypanosoma cruzi ATP-dependent 6-phosphofructokinase, glycosomal 0.0109 0.1222 0.1658
Leishmania major ATP-dependent phosphofructokinase 0.0109 0.1222 0.1658
Leishmania major hypothetical protein, conserved 0.0025 0.0169 0.021
Mycobacterium ulcerans phosphopantetheinyl transferase, PptII 0.0023 0.0155 0.0509
Trichomonas vaginalis conserved hypothetical protein 0.0052 0.0517 0.1782
Brugia malayi dihydrolipoyl dehydrogenase, mitochondrial precursor, putative 0.0038 0.0333 0.0869
Entamoeba histolytica phosphofructokinase, putative 0.0109 0.1222 1
Schistosoma mansoni retinoic acid receptor RXR 0.002 0.0112 0.035
Brugia malayi Pre-SET motif family protein 0.003 0.0236 0.0561
Brugia malayi Cytochrome P450 family protein 0.0019 0.0098 0.012
Loa Loa (eye worm) steroid hormone receptor 0.002 0.0112 0.0301
Loa Loa (eye worm) phosphofructokinase 0.0109 0.1222 0.3792
Trichomonas vaginalis conserved hypothetical protein 0.0052 0.0517 0.1782
Echinococcus multilocularis L aminoadipate semialdehyde 0.0083 0.0902 0.0902
Trichomonas vaginalis conserved hypothetical protein 0.0052 0.0517 0.1782
Trypanosoma cruzi PAB1-binding protein , putative 0.0025 0.0169 0.021
Echinococcus granulosus 5'partial|histone lysine N methyltransferase SETDB2 0.0029 0.0222 0.0696
Entamoeba histolytica phosphofructokinase, putative 0.0109 0.1222 1
Loa Loa (eye worm) nuclear hormone receptor family member nhr-40 0.002 0.0112 0.0301
Mycobacterium ulcerans nitroreductase 0.0052 0.0517 0.3726
Giardia lamblia Histone acetyltransferase GCN5 0.0039 0.0351 0.4232
Wolbachia endosymbiont of Brugia malayi dihydrolipoamide dehydrogenase E3 component 0.0038 0.0333 1
Echinococcus granulosus hepatocyte nuclear factor 4 alpha 0.002 0.0112 0.035
Chlamydia trachomatis dihydrolipoyl dehydrogenase 0.0038 0.0333 1
Echinococcus granulosus aryl hydrocarbon receptor 0.0012 0.0016 0.0051
Echinococcus granulosus Aryl hydrocarbon receptor nuclear 0.0012 0.0016 0.0051
Trichomonas vaginalis conserved hypothetical protein 0.0052 0.0517 0.1782
Plasmodium falciparum dihydrolipoyl dehydrogenase, mitochondrial 0.0038 0.0333 0.167
Mycobacterium tuberculosis NAD(P)H quinone reductase LpdA 0.0141 0.1627 1
Loa Loa (eye worm) hypothetical protein 0.003 0.0236 0.0691
Brugia malayi photoreceptor-specific nuclear receptor 0.002 0.0112 0.0164
Trichomonas vaginalis conserved hypothetical protein 0.0052 0.0517 0.1782
Trichomonas vaginalis phosphofructokinase, putative 0.0109 0.1222 0.4293
Schistosoma mansoni dihydrolipoamide dehydrogenase 0.0038 0.0333 0.1042
Echinococcus multilocularis FTZ F1 alpha 0.002 0.0112 0.0112
Trypanosoma cruzi trypanothione reductase, putative 0.0109 0.1219 0.1654
Treponema pallidum diphosphate--fructose-6-phosphate 1-phosphotransferase 0.0109 0.1222 1
Onchocerca volvulus 0.003 0.0236 0.0691
Brugia malayi Thioredoxin reductase 0.0109 0.1219 0.3696
Echinococcus multilocularis histone lysine methyltransferase setb histone lysine methyltransferase eggless 0.003 0.0236 0.0236
Trypanosoma brucei dihydrolipoamide dehydrogenase 0.0038 0.0333 0.0327
Treponema pallidum diphosphate--fructose-6-phosphate 1-phosphotransferase 0.0029 0.023 0.0701
Toxoplasma gondii phosphofructokinase domain-containing protein 0.0029 0.023 0.0703
Schistosoma mansoni aminoadipate-semialdehyde dehydrogenase 0.0083 0.0902 0.2824
Echinococcus granulosus dihydrolipoamide dehydrogenase 0.0038 0.0333 0.1042
Mycobacterium tuberculosis Conserved protein 0.0052 0.0517 0.2456
Loa Loa (eye worm) hypothetical protein 0.0025 0.0169 0.048
Mycobacterium tuberculosis Possible oxidoreductase 0.0052 0.0517 0.2456
Brugia malayi Nuclear hormone receptor family member nhr-40 0.002 0.0112 0.0164
Trypanosoma cruzi dihydrolipoamide dehydrogenase, putative 0.0038 0.0333 0.0435
Leishmania major dihydrolipoamide dehydrogenase, putative 0.0038 0.0333 0.0435
Toxoplasma gondii thioredoxin reductase 0.0109 0.1219 1
Echinococcus multilocularis transfer RNA-Lys 0.0035 0.03 0.03
Loa Loa (eye worm) hypothetical protein 0.002 0.0112 0.0301
Plasmodium falciparum thioredoxin reductase 0.0038 0.0333 0.167
Toxoplasma gondii NADPH-glutathione reductase 0.0038 0.0333 0.167
Mycobacterium ulcerans oxidoreductase 0.0052 0.0517 0.3726
Mycobacterium leprae PROBABLE NADH DEHYDROGENASE NDH 0.0114 0.1282 0.7857
Trichomonas vaginalis conserved hypothetical protein 0.0052 0.0517 0.1782
Trichomonas vaginalis set domain proteins, putative 0.0237 0.2824 1
Echinococcus granulosus histone acetyltransferase KAT2B 0.0043 0.0396 0.1238
Echinococcus granulosus ecdysone induced protein 78C 0.002 0.0112 0.035
Mycobacterium leprae conserved hypothetical protein 0.0023 0.0155 0.0863
Giardia lamblia NADH oxidase lateral transfer candidate 0.0038 0.0333 0.3586
Trichomonas vaginalis conserved hypothetical protein 0.0052 0.0517 0.1782
Echinococcus granulosus Basic leucine zipper bZIP transcription 0.0036 0.0313 0.0978
Trypanosoma cruzi dihydrolipoamide dehydrogenase, putative 0.0038 0.0333 0.0435
Loa Loa (eye worm) 6-phosphofructokinase 0.0109 0.1222 0.3792
Schistosoma mansoni hypothetical protein 0.0036 0.0313 0.0978
Schistosoma mansoni single-minded 0.0047 0.0453 0.1418
Loa Loa (eye worm) pre-SET domain-containing protein family protein 0.0208 0.2465 0.7702
Loa Loa (eye worm) nuclear hormone receptor family member nhr-41 0.002 0.0112 0.0301
Plasmodium vivax dihydrolipoyl dehydrogenase, mitochondrial, putative 0.0038 0.0333 0.167
Trichomonas vaginalis conserved hypothetical protein 0.0052 0.0517 0.1782
Schistosoma mansoni steroid hormone receptor ad4bp 0.002 0.0112 0.035
Echinococcus granulosus 6 phosphofructokinase 0.0109 0.1222 0.3824
Loa Loa (eye worm) CYP4Cod1 0.0019 0.0098 0.0257
Loa Loa (eye worm) hypothetical protein 0.002 0.0112 0.0301
Echinococcus multilocularis aryl hydrocarbon receptor 0.0012 0.0016 0.0016
Trypanosoma cruzi dihydrolipoamide dehydrogenase, putative 0.0038 0.0333 0.0435
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.003 0.0236 0.0739
Onchocerca volvulus 0.0237 0.2824 0.8833
Onchocerca volvulus Iodotyrosine dehalogenase 1 homolog 0.0052 0.0517 0.1574
Loa Loa (eye worm) nuclear hormone receptor family member nhr-49 0.002 0.0112 0.0301
Brugia malayi Pre-SET motif family protein 0.0208 0.2465 0.767
Echinococcus multilocularis gcn5proteinral control of amino acid synthesis 0.0145 0.1675 0.1675
Mycobacterium tuberculosis Putative oxidoreductase 0.0052 0.0517 0.2456
Brugia malayi Ligand-binding domain of nuclear hormone receptor family protein 0.002 0.0112 0.0164
Trichomonas vaginalis conserved hypothetical protein 0.0052 0.0517 0.1782
Mycobacterium leprae DIHYDROLIPOAMIDE DEHYDROGENASE LPD (LIPOAMIDE REDUCTASE (NADH)) (LIPOYL DEHYDROGENASE) (DIHYDROLIPOYL DEHYDROGENASE) (DIAPHORASE 0.0141 0.1627 1
Echinococcus multilocularis Basic leucine zipper (bZIP) transcription 0.0036 0.0313 0.0313
Trypanosoma brucei dihydrolipoamide dehydrogenase 0.0038 0.0333 0.0327
Schistosoma mansoni histone-lysine n-methyltransferase suv9 0.003 0.0236 0.0739
Plasmodium vivax glutathione reductase, putative 0.0109 0.1219 1
Echinococcus granulosus COUP TF:Svp nuclear hormone receptor 0.002 0.0112 0.035
Loa Loa (eye worm) nuclear hormone receptor family member nhr-31 0.002 0.0112 0.0301
Onchocerca volvulus Protein ultraspiracle homolog 0.002 0.0112 0.0301
Brugia malayi Nuclear hormone receptor family member nhr-25 0.002 0.0112 0.0164
Trichomonas vaginalis conserved hypothetical protein 0.0052 0.0517 0.1782
Onchocerca volvulus 0.0035 0.03 0.0892

Activities

Activity type Activity value Assay description Source Reference
Ki (binding) = 6.93 nM In vitro binding affinity to vesamicol receptor using [3H]-vesamicol. ChEMBL. 8057300
Ki (binding) = 6.93 nM In vitro binding affinity to vesamicol receptor using [3H]-vesamicol. ChEMBL. 8057300
Log Ki (binding) = 0.84 Displacement of [3H]vesamicol from VAChT receptor in torpedo electrical organ synaptic vesicle ChEMBL. 18324757

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

2 literature references were collected for this gene.

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