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
Brugia malayi 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
By sequence similarity to non orthologous known druggable targets
Species Potential target Known druggable target Length Alignment span Identity
Brugia malayi MH2 domain containing protein SMAD family member 2 467 aa 405 aa 31.6 %
Brugia malayi cytochrome P450 cytochrome P450, family 2, subfamily D, polypeptide 6 497 aa 425 aa 32.0 %
Obtained from network model

Ranking Plot

Putative Targets List

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

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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