Detailed information for compound 1405589

Basic information

Technical information
  • TDR Targets ID: 1405589
  • Name: N-[2-(methyl-(phenylmethyl)amino)ethyl]-1-pro pylsulfonylpiperidine-3-carboxamide
  • MW: 381.533 | Formula: C19H31N3O3S
  • H donors: 1 H acceptors: 3 LogP: 1.71 Rotable bonds: 10
    Rule of 5 violations (Lipinski): 1
  • SMILES: CCCS(=O)(=O)N1CCCC(C1)C(=O)NCCN(Cc1ccccc1)C
  • InChi: 1S/C19H31N3O3S/c1-3-14-26(24,25)22-12-7-10-18(16-22)19(23)20-11-13-21(2)15-17-8-5-4-6-9-17/h4-6,8-9,18H,3,7,10-16H2,1-2H3,(H,20,23)
  • InChiKey: CODMFUBGFKIZFU-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

  • N-[2-(methyl-(phenylmethyl)amino)ethyl]-1-propylsulfonyl-piperidine-3-carboxamide
  • N-[2-(methyl-(phenylmethyl)amino)ethyl]-1-propylsulfonyl-3-piperidinecarboxamide
  • N-[2-(benzyl-methyl-amino)ethyl]-1-propylsulfonyl-nipecotamide
  • SMR000032622
  • MLS000046611
  • N-{2-[benzyl(methyl)amino]ethyl}-1-(propylsulfonyl)piperidine-3-carboxamide

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Homo sapiens cytochrome P450, family 2, subfamily D, polypeptide 6 Starlite/ChEMBL No references
Homo sapiens SMAD family member 2 Starlite/ChEMBL No references

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Loa Loa (eye worm) MH2 domain-containing protein Get druggable targets OG5_131716 All targets in OG5_131716
Loa Loa (eye worm) transcription factor SMAD2 Get druggable targets OG5_131716 All targets in OG5_131716
Brugia malayi MH2 domain containing protein Get druggable targets OG5_131716 All targets in OG5_131716
By sequence similarity to non orthologous known druggable targets
Species Potential target Known druggable target Length Alignment span Identity
Brugia malayi cytochrome P450 cytochrome P450, family 2, subfamily D, polypeptide 6 497 aa 425 aa 32.0 %
Brugia malayi MH2 domain containing protein SMAD family member 2 467 aa 405 aa 31.6 %
Obtained from network model

Ranking Plot

Putative Targets List

Species Potential target Raw Global Species
Schistosoma mansoni steroid dehydrogenase 0.0073 0.3811 0.3811
Echinococcus granulosus carbonyl reductase 1 0.0073 0.3811 0.3928
Plasmodium vivax steroid dehydrogenase, putative 0.0073 0.3811 1
Loa Loa (eye worm) hypothetical protein 0.0073 0.3811 0.3811
Mycobacterium tuberculosis Probable short-chain type dehydrogenase/reductase 0.0073 0.3811 1
Brugia malayi Dehydrogenases, short chain protein 2 0.0073 0.3811 0.3811
Brugia malayi oxidoreductase, short chain dehydrogenase/reductase family protein 0.0073 0.3811 0.3811
Giardia lamblia Oxidoreductase, short chain dehydrogenase/reductase family 0.0073 0.3811 1
Onchocerca volvulus 0.0073 0.3811 0.5
Leishmania major pteridine reductase 1 0.0073 0.3811 1
Echinococcus multilocularis carbonyl reductase 1 0.0073 0.3811 0.3811
Mycobacterium ulcerans short-chain type dehydrogenase/reductase 0.0073 0.3811 1
Mycobacterium ulcerans oxidoreductase 0.0073 0.3811 1
Toxoplasma gondii oxidoreductase, short chain dehydrogenase/reductase family protein 0.0073 0.3811 1
Echinococcus multilocularis carbonyl reductase 1 0.0073 0.3811 0.3811
Onchocerca volvulus 0.0073 0.3811 0.5
Brugia malayi hypothetical protein 0.0073 0.3811 0.3811
Mycobacterium ulcerans short chain dehydrogenase 0.0073 0.3811 1
Loa Loa (eye worm) hypothetical protein 0.0073 0.3811 0.3811
Trypanosoma cruzi quinonoid dihydropteridine reductase, putative 0.0073 0.3811 1
Trichomonas vaginalis short-chain dehydrogenase, putative 0.0073 0.3811 1
Onchocerca volvulus 0.0073 0.3811 0.5
Entamoeba histolytica oxidoreductase, short chain dehydrogenase/reductase family 0.0073 0.3811 1
Schistosoma mansoni short chain dehydrogenase 0.0073 0.3811 0.3811
Onchocerca volvulus 0.0073 0.3811 0.5
Mycobacterium tuberculosis Inositol-1-monophosphatase SuhB 0.004 0.1822 0.4559
Schistosoma mansoni steroid dehydrogenase 0.0073 0.3811 0.3811
Trypanosoma cruzi oxidoreductase-like protein, putative 0.0073 0.3811 1
Trypanosoma brucei short-chain dehydrogenase, putative 0.0073 0.3811 1
Mycobacterium tuberculosis Probable oxidoreductase 0.0073 0.3811 1
Brugia malayi Cytochrome P450 family protein 0.0012 0.0155 0.0155
Mycobacterium ulcerans short chain dehydrogenase 0.0073 0.3811 1
Loa Loa (eye worm) hypothetical protein 0.0073 0.3811 0.3811
Brugia malayi oxidoreductase, short chain dehydrogenase/reductase family protein 0.0073 0.3811 0.3811
Mycobacterium tuberculosis Probable short-chain type dehydrogenase/reductase 0.0073 0.3811 1
Brugia malayi oxidoreductase, short chain dehydrogenase/reductase family protein 0.0073 0.3811 0.3811
Mycobacterium tuberculosis Probable short-chain dehydrogenase/reductase 0.0073 0.3811 1
Echinococcus multilocularis inositol monophosphatase 1 0.0045 0.2105 0.2105
Mycobacterium ulcerans carveol-like dehydrogenase 0.0073 0.3811 1
Brugia malayi oxidoreductase, short chain dehydrogenase/reductase family protein 0.0073 0.3811 0.3811
Mycobacterium ulcerans short-chain dehydrogenase 0.0073 0.3811 1
Mycobacterium tuberculosis Probable short-chain type dehydrogenase/reductase 0.0073 0.3811 1
Mycobacterium tuberculosis Probable shortchain dehydrogenase 0.0073 0.3811 1
Schistosoma mansoni short chain dehydrogenase 0.0073 0.3811 0.3811
Mycobacterium ulcerans short chain dehydrogenase 0.0073 0.3811 1
Mycobacterium ulcerans dehydrogenase 0.0073 0.3811 1
Mycobacterium ulcerans short-chain type dehydrogenase/reductase 0.0073 0.3811 1
Trichomonas vaginalis hydroxyacyl dehydrogenase, putative 0.0073 0.3811 1
Echinococcus granulosus retinol dehydrogenase 11 0.0073 0.3811 0.3928
Brugia malayi oxidoreductase, short chain dehydrogenase/reductase family protein 0.0073 0.3811 0.3811
Echinococcus granulosus retinol dehydrogenase 11 0.0073 0.3811 0.3928
Entamoeba histolytica hypothetical protein, conserved 0.0073 0.3811 1
Trichomonas vaginalis short-chain dehydrogenases/reductase, putative 0.0073 0.3811 1
Trypanosoma brucei short-chain dehydrogenase, putative 0.0073 0.3811 1
Mycobacterium tuberculosis Possible oxidoreductase 0.0073 0.3811 1
Echinococcus granulosus histone acetyltransferase KAT2B 0.0051 0.2521 0.2598
Schistosoma mansoni steroid dehydrogenase 0.0073 0.3811 0.3811
Echinococcus multilocularis conserved hypothetical protein 0.0073 0.3811 0.3811
Mycobacterium ulcerans short-chain membrane-associated dehydrogenase 0.0073 0.3811 1
Schistosoma mansoni steroid dehydrogenase 0.0073 0.3811 0.3811
Trypanosoma brucei beta-D-hydroxybutyrate dehydrogenase 0.0073 0.3811 1
Loa Loa (eye worm) oxidoreductase 0.0073 0.3811 0.3811
Onchocerca volvulus Dehydrogenase\/reductase SDR family member 13 homolog 0.0073 0.3811 0.5
Mycobacterium tuberculosis Probable oxidoreductase 0.0073 0.3811 1
Mycobacterium ulcerans oxidoreductase 0.0073 0.3811 1
Mycobacterium leprae Probable short-chain type dehydrogenase/reductase 0.0073 0.3811 1
Trypanosoma brucei short-chain dehydrogenase, putative 0.0073 0.3811 1
Leishmania major hypothetical protein, conserved 0.0073 0.3811 1
Onchocerca volvulus 0.0073 0.3811 0.5
Echinococcus granulosus oxidoreductase 0.0073 0.3811 0.3928
Mycobacterium tuberculosis Probable dehydrogenase/reductase 0.0073 0.3811 1
Plasmodium falciparum steroid dehydrogenase, putative 0.0073 0.3811 1
Onchocerca volvulus 0.0073 0.3811 0.5
Mycobacterium ulcerans short chain dehydrogenase 0.0073 0.3811 1
Mycobacterium ulcerans short-chain type dehydrogenase/reductase 0.0073 0.3811 1
Schistosoma mansoni short chain dehydrogenase 0.0073 0.3811 0.3811
Toxoplasma gondii 3-ketoacyl-CoA reductase, putative 0.0073 0.3811 1
Schistosoma mansoni retinal dehydrogenase 0.0073 0.3811 0.3811
Trypanosoma cruzi hypothetical protein, conserved 0.0073 0.3811 1
Mycobacterium ulcerans short chain dehydrogenase 0.0073 0.3811 1
Loa Loa (eye worm) cytochrome P450 family protein 0.0012 0.0155 0.0155
Trypanosoma cruzi hypothetical protein, conserved 0.0073 0.3811 1
Trypanosoma cruzi hypothetical protein, conserved 0.0073 0.3811 1
Mycobacterium leprae Possible short-chain dehydrogenase EphD 0.0073 0.3811 1
Leishmania major quinonoid dihydropteridine reductase 0.0073 0.3811 1
Leishmania major quinonoid dihydropteridine reductase 0.0073 0.3811 1
Trypanosoma cruzi hypothetical protein, conserved 0.0073 0.3811 1
Mycobacterium tuberculosis Probable oxidoreductase 0.0073 0.3811 1
Mycobacterium ulcerans short-chain type dehydrogenase/reductase 0.0073 0.3811 1
Mycobacterium tuberculosis Probable oxidoreductase 0.0073 0.3811 1
Loa Loa (eye worm) oxidoreductase 0.0073 0.3811 0.3811
Trichomonas vaginalis short-chain dehydrogenase, putative 0.0073 0.3811 1
Toxoplasma gondii inositol(myo)-1(or 4)-monophosphatase 2, putative 0.0045 0.2105 0.5333
Entamoeba histolytica estradiol 17-beta-dehydrogenase, putative 0.0073 0.3811 1
Mycobacterium ulcerans short chain dehydrogenase 0.0073 0.3811 1
Toxoplasma gondii oxidoreductase, short chain dehydrogenase/reductase family protein 0.0073 0.3811 1
Echinococcus multilocularis 3 hydroxyacyl coenzyme A dehydrogenase type 2 0.0073 0.3811 0.3811
Trypanosoma cruzi myo-inositol-1(or 4)-monophosphatase 1, putative 0.0045 0.2105 0.5333
Loa Loa (eye worm) dehydrogenase 0.0073 0.3811 0.3811
Trypanosoma cruzi myo-inositol-1(or 4)-monophosphatase 1, putative 0.0045 0.2105 0.5333
Mycobacterium tuberculosis Probable oxidoreductase 0.0073 0.3811 1
Trypanosoma brucei 3-keto-dihydrosphingosine reductase 0.0073 0.3811 1
Trypanosoma cruzi 3-ketoacyl-CoA reductase, putative 0.0073 0.3811 1
Brugia malayi oxidoreductase, short chain dehydrogenase/reductase family protein 0.0073 0.3811 0.3811
Echinococcus multilocularis Dehydrogenase:reductase SDR family 0.0073 0.3811 0.3811
Mycobacterium leprae ROBABLE SHORT-CHAIN TYPE DEHYDROGENASE/REDUCTASE 0.0073 0.3811 1
Mycobacterium ulcerans short chain dehydrogenase 0.0073 0.3811 1
Leishmania major hypothetical protein, conserved 0.0073 0.3811 1
Trypanosoma cruzi hypothetical protein, conserved 0.0073 0.3811 1
Loa Loa (eye worm) oxidoreductase 0.0073 0.3811 0.3811
Entamoeba histolytica hypothetical protein, conserved 0.0073 0.3811 1
Trypanosoma cruzi 3-keto-dihydrosphingosine reductase 0.0073 0.3811 1
Onchocerca volvulus 0.0073 0.3811 0.5
Echinococcus multilocularis epidermal retinal dehydrogenase 2 0.0073 0.3811 0.3811
Echinococcus granulosus carbonyl reductase 1 0.0073 0.3811 0.3928
Onchocerca volvulus Dehydrogenase\/reductase SDR family member 1 homolog 0.0073 0.3811 0.5
Brugia malayi oxidoreductase, short chain dehydrogenase/reductase family protein 0.0073 0.3811 0.3811
Echinococcus granulosus 3 ketodihydrosphingosine reductase 0.0073 0.3811 0.3928
Toxoplasma gondii oxidoreductase, short chain dehydrogenase/reductase family protein 0.0073 0.3811 1
Mycobacterium ulcerans extragenic suppressor protein SuhB 0.0045 0.2105 0.5333
Leishmania major dehydrogenase-like protein 0.0073 0.3811 1
Brugia malayi D-beta-hydroxybutyrate dehydrogenase, mitochondrial precursor 0.0073 0.3811 0.3811
Mycobacterium leprae possible inositol monophosphatase SubH (IMPase) (inositol-1-phosphatase) (I-1-Pase ). 0.004 0.1822 0.4559
Onchocerca volvulus 0.0073 0.3811 0.5
Loa Loa (eye worm) cytochrome P450 0.0012 0.0155 0.0155
Loa Loa (eye worm) dehydrogenase 0.0073 0.3811 0.3811
Brugia malayi 3-hydroxyacyl-CoA dehydrogenase type II 0.0073 0.3811 0.3811
Brugia malayi oxidoreductase, short chain dehydrogenase/reductase family protein 0.0073 0.3811 0.3811
Schistosoma mansoni steroid dehydrogenase 0.0073 0.3811 0.3811
Trichomonas vaginalis short-chain dehydrogenase, putative 0.0073 0.3811 1
Giardia lamblia Short-chain dehydrogenase, putative 0.0073 0.3811 1
Plasmodium falciparum oxidoreductase, short-chain dehydrogenase family, putative 0.0073 0.3811 1
Loa Loa (eye worm) hypothetical protein 0.0073 0.3811 0.3811
Echinococcus multilocularis steroid dehydrogenase 0.0073 0.3811 0.3811
Schistosoma mansoni steroid dehydrogenase 0.0073 0.3811 0.3811
Loa Loa (eye worm) oxidoreductase 0.0073 0.3811 0.3811
Leishmania major oxidoreductase-like protein 0.0073 0.3811 1
Brugia malayi dehydrogenases, short chain protein 9 0.0073 0.3811 0.3811
Wolbachia endosymbiont of Brugia malayi Short-chain alcohol dehydrogenase family enzyme 0.0073 0.3811 1
Trypanosoma brucei inositol-1(or 4)-monophosphatase 1, putative 0.0045 0.2105 0.5333
Schistosoma mansoni steroid dehydrogenase 0.0073 0.3811 0.3811
Echinococcus granulosus steroid dehydrogenase 0.0073 0.3811 0.3928
Schistosoma mansoni carbonyl reductase 0.0073 0.3811 0.3811
Trypanosoma cruzi NAD(P)-dependent oxidoreductase, putative 0.0073 0.3811 1
Schistosoma mansoni cytochrome P450 0.0012 0.0155 0.0155
Echinococcus multilocularis transient receptor potential cation channel 0.0073 0.3811 0.3811
Brugia malayi oxidoreductase, short chain dehydrogenase/reductase family protein 0.0073 0.3811 0.3811
Leishmania major quinonoid dihydropteridine reductase 0.0073 0.3811 1
Toxoplasma gondii oxidoreductase, putative 0.0073 0.3811 1
Schistosoma mansoni short chain dehydrogenase 0.0073 0.3811 0.3811
Mycobacterium ulcerans short-chain type dehydrogenase/reductase 0.0073 0.3811 1
Brugia malayi Cytochrome P450 family protein 0.0012 0.0155 0.0155
Schistosoma mansoni short-chain dehydrogenase/reductase 0.0073 0.3811 0.3811
Brugia malayi oxidoreductase, short chain dehydrogenase/reductase family protein 0.0073 0.3811 0.3811
Trichomonas vaginalis short-chain dehydrogenase, putative 0.0073 0.3811 1
Leishmania major 3-keto-dihydrosphingosine reductase 0.0073 0.3811 1
Leishmania major quinonoid dihydropteridine reductase 0.0073 0.3811 1
Schistosoma mansoni hypothetical protein 0.0012 0.0155 0.0155
Mycobacterium ulcerans short chain dehydrogenase 0.0073 0.3811 1
Trypanosoma cruzi 3-ketoacyl-CoA reductase, putative 0.0073 0.3811 1
Schistosoma mansoni carbonyl reductase 0.0073 0.3811 0.3811
Schistosoma mansoni short chain dehydrogenase 0.0073 0.3811 0.3811
Schistosoma mansoni 3-hydroxyacyl-CoA dehydrogenase 0.0073 0.3811 0.3811
Mycobacterium tuberculosis Probable dehydrogenase/reductase 0.0073 0.3811 1
Brugia malayi Inositol-1 0.0045 0.2105 0.2105
Trypanosoma cruzi hypothetical protein, conserved 0.0073 0.3811 1
Trichomonas vaginalis cat eye syndrome critical region protein 2, cscr2, putative 0.0051 0.2521 0.2437
Mycobacterium ulcerans short chain dehydrogenase 0.0073 0.3811 1
Echinococcus multilocularis carbonyl reductase 1 0.0073 0.3811 0.3811
Echinococcus granulosus cytochrome P450 2K1 0.0012 0.0155 0.016
Echinococcus multilocularis oxidoreductase 0.0073 0.3811 0.3811
Trypanosoma brucei short-chain dehydrogenase, putative 0.0073 0.3811 1
Onchocerca volvulus Sepiapterin reductase homolog 0.0073 0.3811 0.5
Brugia malayi oxidoreductase, short chain dehydrogenase/reductase family protein 0.0073 0.3811 0.3811
Leishmania major short chain dehydrogenase/reductase, putative 0.0073 0.3811 1
Leishmania major hypothetical protein, conserved 0.0073 0.3811 1
Trypanosoma cruzi short chain dehydrogenase/reductase, putative 0.0073 0.3811 1
Loa Loa (eye worm) cytochrome P450 family protein 0.0012 0.0155 0.0155
Mycobacterium leprae Probable oxidoreductase 0.0073 0.3811 1
Schistosoma mansoni carbonyl reductase 0.0073 0.3811 0.3811
Mycobacterium ulcerans short-chain type dehydrogenase/reductase 0.0073 0.3811 1
Echinococcus granulosus inositol monophosphatase 1 0.0045 0.2105 0.217
Loa Loa (eye worm) short chain dehydrogenase/reductase family oxidoreductase 0.0073 0.3811 0.3811
Trypanosoma cruzi short-chain dehydrogenase, putative 0.0073 0.3811 1
Trypanosoma brucei short-chain dehydrogenase, putative 0.0073 0.3811 1
Loa Loa (eye worm) oxidoreductase 0.0073 0.3811 0.3811
Trypanosoma cruzi short chain dehydrogenase, putative 0.0073 0.3811 1
Schistosoma mansoni oxidoreductase short chain dehydrogenase/reductase family 0.0073 0.3811 0.3811
Leishmania major short chain dehydrogenase, putative 0.0073 0.3811 1
Toxoplasma gondii 2,4-dienoyl CoA reductase 2, peroxisomal family protein 0.0073 0.3811 1
Mycobacterium tuberculosis Possible short-chain dehydrogenase EphD 0.0073 0.3811 1
Echinococcus multilocularis retinol dehydrogenase 11 0.0073 0.3811 0.3811
Loa Loa (eye worm) oxidoreductase 0.0073 0.3811 0.3811
Schistosoma mansoni short chain dehydrogenase 0.0073 0.3811 0.3811
Mycobacterium tuberculosis Probable short-chain type dehydrogenase/reductase 0.0073 0.3811 1
Trypanosoma cruzi beta-ketoacyl-ACP reductase 2, putative 0.0073 0.3811 1
Plasmodium vivax hypothetical protein, conserved 0.0073 0.3811 1
Trypanosoma brucei beta-ketoacyl-ACP reductase 2 0.0073 0.3811 1
Onchocerca volvulus 0.0073 0.3811 0.5
Echinococcus granulosus Dehydrogenase:reductase SDR family 0.0073 0.3811 0.3928
Mycobacterium ulcerans short-chain type oxidoreductase 0.0073 0.3811 1
Onchocerca volvulus Dehydrogenase\/reductase SDR family member 13 homolog 0.0073 0.3811 0.5
Mycobacterium ulcerans dehydrogenase/decarboxylase protein 0.0073 0.3811 1
Toxoplasma gondii histone lysine acetyltransferase GCN5-B 0.0051 0.2521 0.6471
Onchocerca volvulus 0.0073 0.3811 0.5
Brugia malayi Dehydrogenases, short chain protein 30 0.0073 0.3811 0.3811
Mycobacterium tuberculosis Probable short-chain type oxidoreductase 0.0073 0.3811 1
Brugia malayi oxidoreductase 0.0073 0.3811 0.3811
Entamoeba histolytica short chain dehydrogenase family protein 0.0073 0.3811 1
Schistosoma mansoni short chain dehydrogenase 0.0073 0.3811 0.3811
Trypanosoma cruzi short chain dehydrogenase/reductase, putative 0.0073 0.3811 1
Mycobacterium tuberculosis Probable short-chain type dehydrogenase/reductase 0.0073 0.3811 1
Loa Loa (eye worm) CYP4Cod1 0.0012 0.0155 0.0155
Trypanosoma cruzi oxidoreductase-like protein, putative 0.0073 0.3811 1
Schistosoma mansoni inositol monophosphatase 0.0045 0.2105 0.2105
Toxoplasma gondii oxidoreductase, short chain dehydrogenase/reductase family protein 0.0073 0.3811 1
Loa Loa (eye worm) hypothetical protein 0.0073 0.3811 0.3811
Leishmania major 3-oxoacyl-(acyl-carrier protein) reductase, putative 0.0073 0.3811 1
Brugia malayi Hypothetical oxidoreductase F56D1.5 0.0073 0.3811 0.3811
Leishmania major hypothetical protein, conserved 0.0073 0.3811 1
Brugia malayi MH2 domain containing protein 0.0144 0.8132 0.8132
Mycobacterium ulcerans short chain dehydrogenase 0.0073 0.3811 1
Trichomonas vaginalis short-chain dehydrogenase, putative 0.0073 0.3811 1
Echinococcus granulosus epidermal retinal dehydrogenase 2 0.0073 0.3811 0.3928
Brugia malayi oxidoreductase, short chain dehydrogenase/reductase family protein 0.0073 0.3811 0.3811
Mycobacterium tuberculosis Probable oxidoreductase 0.0073 0.3811 1
Toxoplasma gondii sterol carrier protein-2 HAD-2SCP-2 0.0073 0.3811 1
Loa Loa (eye worm) hypothetical protein 0.0073 0.3811 0.3811
Mycobacterium ulcerans short-chain type dehydrogenase/reductase 0.0073 0.3811 1
Echinococcus multilocularis carbonyl reductase 1 0.0073 0.3811 0.3811
Mycobacterium ulcerans short chain dehydrogenase 0.0073 0.3811 1
Schistosoma mansoni short chain dehydrogenase 0.0073 0.3811 0.3811
Schistosoma mansoni short chain dehydrogenase 0.0073 0.3811 0.3811
Echinococcus granulosus histone acetyltransferase KAT2B 0.017 0.9703 1
Mycobacterium ulcerans short chain dehydrogenase 0.0073 0.3811 1
Mycobacterium ulcerans short chain dehydrogenase 0.0073 0.3811 1
Mycobacterium ulcerans short-chain dehydrogenase 0.0073 0.3811 1
Brugia malayi dehydrogenases, short chain protein 2 0.0073 0.3811 0.3811
Onchocerca volvulus 0.0073 0.3811 0.5
Schistosoma mansoni short chain dehydrogenase 0.0073 0.3811 0.3811
Mycobacterium ulcerans short-chain type dehydrogenase/reductase 0.0073 0.3811 1
Mycobacterium tuberculosis Probable dehydrogenase 0.0073 0.3811 1
Mycobacterium tuberculosis Probable short chain alcohol dehydrogenase/reductase 0.0073 0.3811 1
Trichomonas vaginalis bromodomain-containing protein, putative 0.0051 0.2521 0.2437
Leishmania major quinonoid dihydropteridine reductase 0.0073 0.3811 1
Schistosoma mansoni short chain dehydrogenase 0.0073 0.3811 0.3811
Loa Loa (eye worm) hypothetical protein 0.0073 0.3811 0.3811
Trypanosoma cruzi 3-keto-dihydrosphingosine reductase 0.0073 0.3811 1
Brugia malayi Cytochrome P450 family protein 0.0012 0.0155 0.0155
Mycobacterium tuberculosis Probable short-chain type dehydrogenase/reductase 0.0073 0.3811 1
Trypanosoma cruzi NAD(P)-dependent oxidoreductase, putative 0.0073 0.3811 1
Mycobacterium ulcerans short-chain type dehydrogenase/reductase 0.0073 0.3811 1
Mycobacterium ulcerans short chain dehydrogenase 0.0073 0.3811 1
Mycobacterium ulcerans short chain dehydrogenase 0.0073 0.3811 1
Echinococcus multilocularis estradiol 17 beta dehydrogenase 12 0.0073 0.3811 0.3811
Schistosoma mansoni steroid dehydrogenase 0.0073 0.3811 0.3811
Echinococcus multilocularis 0.0012 0.0155 0.0155
Trypanosoma cruzi short chain dehydrogenase, putative 0.0073 0.3811 1
Trichomonas vaginalis estradiol 17 beta-dehydrogenase, putative 0.0073 0.3811 1
Mycobacterium ulcerans short chain dehydrogenase 0.0073 0.3811 1
Trichomonas vaginalis short-chain dehydrogenase, putative 0.0073 0.3811 1
Echinococcus granulosus carbonyl reductase 1 0.0073 0.3811 0.3928
Entamoeba histolytica estradiol 17-beta-dehydrogenase, putative 0.0073 0.3811 1
Loa Loa (eye worm) inositol-1 0.0045 0.2105 0.2105
Echinococcus multilocularis 3 ketodihydrosphingosine reductase 0.0073 0.3811 0.3811
Mycobacterium ulcerans 3-ketoacyl-ACP reductase 0.0073 0.3811 1
Mycobacterium tuberculosis Possible iron-regulated short-chain dehydrogenase/reductase 0.0073 0.3811 1
Echinococcus granulosus carbonyl reductase 1 0.0073 0.3811 0.3928
Brugia malayi oxidoreductase, short chain dehydrogenase/reductase family protein 0.0073 0.3811 0.3811
Loa Loa (eye worm) MH2 domain-containing protein 0.0144 0.8132 0.8132
Schistosoma mansoni short chain dehydrogenase 0.0073 0.3811 0.3811
Mycobacterium ulcerans short-chain type dehydrogenase/reductase 0.0073 0.3811 1
Echinococcus granulosus hypothetical protein 0.0073 0.3811 0.3928
Loa Loa (eye worm) oxidoreductase 0.0073 0.3811 0.3811
Mycobacterium leprae Probable short-chain type dehydrogenase/reductase 0.0073 0.3811 1
Mycobacterium ulcerans ketoacyl reductase 0.0073 0.3811 1
Mycobacterium tuberculosis Possible oxidoreductase 0.0073 0.3811 1
Schistosoma mansoni inositol monophosphatase 0.0045 0.2105 0.2105
Toxoplasma gondii carbonyl reductase 1, putative 0.0073 0.3811 1
Loa Loa (eye worm) transcription factor SMAD2 0.0144 0.8132 0.8132
Trypanosoma cruzi short-chain dehydrogenase, putative 0.0073 0.3811 1
Mycobacterium ulcerans short chain dehydrogenase 0.0073 0.3811 1
Loa Loa (eye worm) oxidoreductase 0.0073 0.3811 0.3811
Brugia malayi cytochrome P450 0.0012 0.0155 0.0155
Mycobacterium ulcerans dehydrogenase/reductase 0.0073 0.3811 1
Mycobacterium tuberculosis Possible ketoacyl reductase 0.0073 0.3811 1
Loa Loa (eye worm) hypothetical protein 0.0073 0.3811 0.3811
Loa Loa (eye worm) hypothetical protein 0.0073 0.3811 0.3811
Schistosoma mansoni 3-keto-dihydrosphingosine reductase 0.0073 0.3811 0.3811
Mycobacterium ulcerans 3-alpha-hydroxysteroid dehydrogenase 0.0073 0.3811 1
Entamoeba histolytica 3-ketodihydrosphingosine reductase protein, putative 0.0073 0.3811 1
Brugia malayi Retinol dehydrogenase 12 0.0073 0.3811 0.3811
Leishmania major myo-inositol-1(or 4)-monophosphatase 1, putative 0.0045 0.2105 0.5333
Schistosoma mansoni short chain dehydrogenase 0.0073 0.3811 0.3811
Echinococcus multilocularis retinol dehydrogenase 11 0.0073 0.3811 0.3811
Toxoplasma gondii oxidoreductase, short chain dehydrogenase/reductase family protein 0.0073 0.3811 1
Trypanosoma brucei beta-ketoacyl-ACP reductase 3, putative 0.0073 0.3811 1
Mycobacterium tuberculosis Possible fatty acyl-CoA reductase 0.0073 0.3811 1
Toxoplasma gondii histone lysine acetyltransferase GCN5-A 0.0051 0.2521 0.6471
Trichomonas vaginalis short-chain dehydrogenase, putative 0.0073 0.3811 1
Trichomonas vaginalis short-chain dehydrogenase, putative 0.0073 0.3811 1
Echinococcus multilocularis retinol dehydrogenase 13 0.0073 0.3811 0.3811
Leishmania major short chain dehydrogenase/reductase, putative 0.0073 0.3811 1
Echinococcus granulosus hypothetical protein 0.0073 0.3811 0.3928
Leishmania major quinonoid dihydropteridine reductase 0.0073 0.3811 1
Schistosoma mansoni short chain dehydrogenase 0.0073 0.3811 0.3811
Mycobacterium tuberculosis Decaprenylphosphoryl-D-2-keto erythro pentose reductase 0.0073 0.3811 1
Giardia lamblia Reductase, putative 0.0073 0.3811 1
Brugia malayi oxidoreductase, short chain dehydrogenase/reductase family protein 0.0073 0.3811 0.3811
Mycobacterium ulcerans short chain dehydrogenase 0.0073 0.3811 1
Loa Loa (eye worm) hypothetical protein 0.0073 0.3811 0.3811
Entamoeba histolytica estradiol 17-beta-dehydrogenase, putative 0.0073 0.3811 1
Brugia malayi hypothetical protein 0.0073 0.3811 0.3811
Brugia malayi oxidoreductase, short chain dehydrogenase/reductase family protein 0.0073 0.3811 0.3811
Mycobacterium leprae PROBABLE SHORT CHAIN ALCOHOL DEHYDROGENASE/REDUCTASE 0.0073 0.3811 1
Plasmodium falciparum conserved Plasmodium protein, unknown function 0.0073 0.3811 1
Schistosoma mansoni short chain dehydrogenase 0.0073 0.3811 0.3811
Leishmania major hypothetical protein, conserved 0.0073 0.3811 1
Mycobacterium ulcerans short-chain dehydrogenase 0.0073 0.3811 1
Schistosoma mansoni steroid dehydrogenase 0.0073 0.3811 0.3811
Brugia malayi oxidoreductase, short chain dehydrogenase/reductase family protein 0.0073 0.3811 0.3811
Leishmania major quinonoid dihydropteridine reductase 0.0073 0.3811 1
Echinococcus granulosus 3 hydroxyacyl coenzyme A dehydrogenase type 2 0.0073 0.3811 0.3928
Mycobacterium ulcerans short chain dehydrogenase 0.0073 0.3811 1
Mycobacterium ulcerans short-chain dehydrogenase 0.0073 0.3811 1
Entamoeba histolytica short chain dehydrogenase family protein 0.0073 0.3811 1
Mycobacterium ulcerans ketoacyl reductase 0.0073 0.3811 1
Mycobacterium ulcerans short chain dehydrogenase 0.0073 0.3811 1
Toxoplasma gondii oxidoreductase, putative 0.0073 0.3811 1
Echinococcus multilocularis steroid dehydrogenase 0.0073 0.3811 0.3811
Trypanosoma brucei 3-ketoacyl-CoA reductase, putative 0.0073 0.3811 1
Loa Loa (eye worm) cytochrome P450 family protein 0.0012 0.0155 0.0155
Mycobacterium ulcerans short chain dehydrogenase 0.0073 0.3811 1
Brugia malayi oxidoreductase, short chain dehydrogenase/reductase family protein 0.0073 0.3811 0.3811
Onchocerca volvulus 0.0073 0.3811 0.5
Entamoeba histolytica acetyltransferase, GNAT family 0.0047 0.2261 0.0916
Entamoeba histolytica hypothetical protein 0.0073 0.3811 1
Mycobacterium tuberculosis Probable short-chain type dehydrogenase/reductase 0.0073 0.3811 1
Loa Loa (eye worm) hypothetical protein 0.0073 0.3811 0.3811
Mycobacterium ulcerans ketoacyl reductase 0.0073 0.3811 1
Echinococcus granulosus WW domain containing oxidoreductase 0.0073 0.3811 0.3928
Trypanosoma cruzi beta-ketoacyl-ACP reductase 2, putative 0.0073 0.3811 1
Mycobacterium ulcerans short-chain type dehydrogenase/reductase 0.0073 0.3811 1
Onchocerca volvulus 0.0073 0.3811 0.5
Brugia malayi oxidoreductase, short chain dehydrogenase/reductase family protein 0.0073 0.3811 0.3811
Trichomonas vaginalis steroid dehydrogenase, putative 0.0073 0.3811 1
Loa Loa (eye worm) oxidoreductase 0.0073 0.3811 0.3811
Schistosoma mansoni steroid dehydrogenase 0.0073 0.3811 0.3811
Mycobacterium ulcerans short chain dehydrogenase 0.0073 0.3811 1
Leishmania major short chain dehydrogenase-like protein 0.0073 0.3811 1
Brugia malayi Cytochrome P450 family protein 0.0012 0.0155 0.0155
Mycobacterium tuberculosis Possible multi-functional enzyme with acyl-CoA-reductase activity AcrA1 0.0073 0.3811 1
Trypanosoma brucei oxidoreductase-like protein 0.0073 0.3811 1
Leishmania major short chain dehydrogenase, putative 0.0073 0.3811 1
Giardia lamblia Hypothetical protein 0.0073 0.3811 1

Activities

Activity type Activity value Assay description Source Reference
AC50 (functional) PUBCHEM_BIOASSAY: Cytochrome panel assay with activity outcomes. (Class of assay: other) Panel member name: p450-cyp2c19 Compounds with AC50 equal or less than 10 uM are considered active ChEMBL. No reference
AC50 (functional) PUBCHEM_BIOASSAY: Cytochrome panel assay with activity outcomes. (Class of assay: other) Panel member name: p450-cyp3a4 Compounds with AC50 equal or less than 10 uM are considered active ChEMBL. No reference
AC50 (functional) PUBCHEM_BIOASSAY: Cytochrome panel assay with activity outcomes. (Class of assay: other) Panel member name: p450-cyp2c9 Compounds with AC50 equal or less than 10 uM are considered active ChEMBL. No reference
AC50 (functional) PUBCHEM_BIOASSAY: Cytochrome panel assay with activity outcomes. (Class of assay: other) Panel member name: p450-cyp1a2 Compounds with AC50 equal or less than 10 uM are considered active ChEMBL. No reference
AC50 (functional) = 5.011872336 uM PUBCHEM_BIOASSAY: Cytochrome panel assay with activity outcomes. (Class of assay: other) Panel member name: p450-cyp2d6 Compounds with AC50 equal or less than 10 uM are considered active ChEMBL. No reference
Potency (functional) 0.1312 uM PUBCHEM_BIOASSAY: Primary qHTS for delayed death inhibitors of the malarial parasite plastid, 48 hour incubation. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID488752, AID488774, AID504848, AID504850] ChEMBL. No reference
Potency (functional) 3.5481 uM PUBCHEM_BIOASSAY: qHTS for Inhibitors of TGF-b. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID588856, AID588860] ChEMBL. No reference

Phenotypes

Whole-cell/tissue/organism interactions

Species name Source Reference Is orphan
Plasmodium falciparum ChEMBL23

Many chemical entities in TDR Targets come from high-throughput screenings with whole cells or tissue samples, and not all assayed compounds have been tested against a single a single target protein, probably because they get ruled out during screening process. Even if these compounds may have not been of interest in the original screening, they may come as interesting leads for other screening assays. Furthermore, we may be able to propose drug-target associations using chemical similarities and network patterns.

Annotated phenotypes:

We have no manually annotated phenotypes for this drug. What does this mean? / Care to help?
In TDR Targets, information about phenotypes that are caused by drugs, or by genetic manipulation of cells (e.g. gene knockouts or knockdowns) is manually curated from the literature. These descriptions help to describe the potential of the target for drug development. If no information is available for this gene or if the information is incomplete, this may mean that i) the papers containing this information either appeared after the curation effort for this organism was carried out or they were inadvertently missed by curators; or that ii) the curation effort for this organism has not yet started.
 
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External resources for this compound

Bibliographic References

No literature references available for this target.

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