Detailed information for compound 1087848

Basic information

Technical information
  • TDR Targets ID: 1087848
  • Name: 1-(2-amino-9,10-dimethoxy-2,3,4,6,7,11b-hexah ydro-1H-pyrido[6,1-a]isoquinolin-3-yl)azepan- 2-one
  • MW: 373.489 | Formula: C21H31N3O3
  • H donors: 1 H acceptors: 1 LogP: 1.37 Rotable bonds: 3
    Rule of 5 violations (Lipinski): 1
  • SMILES: COc1cc2CCN3C(c2cc1OC)CC(C(C3)N1CCCCCC1=O)N
  • InChi: 1S/C21H31N3O3/c1-26-19-10-14-7-9-23-13-18(24-8-5-3-4-6-21(24)25)16(22)12-17(23)15(14)11-20(19)27-2/h10-11,16-18H,3-9,12-13,22H2,1-2H3
  • InChiKey: HNCSYKUUKHXRCJ-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

  • 1-(2-amino-9,10-dimethoxy-2,3,4,6,7,11b-hexahydro-1H-pyrido[6,1-a]isoquinolin-3-yl)-2-azepanone

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Homo sapiens dipeptidyl-peptidase 4 Starlite/ChEMBL References

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Candida albicans dipeptidyl aminopeptidase B Get druggable targets OG5_128614 All targets in OG5_128614
Echinococcus granulosus dipeptidyl aminopeptidaseprotein Get druggable targets OG5_128614 All targets in OG5_128614
Schistosoma mansoni subfamily S9B unassigned peptidase (S09 family) Get druggable targets OG5_128614 All targets in OG5_128614
Loa Loa (eye worm) prolyl oligopeptidase Get druggable targets OG5_128614 All targets in OG5_128614
Candida albicans dipeptidyl aminopeptidase B Get druggable targets OG5_128614 All targets in OG5_128614
Echinococcus multilocularis dipeptidyl aminopeptidaseprotein Get druggable targets OG5_128614 All targets in OG5_128614
Schistosoma japonicum ko:K01278 dipeptidyl-peptidase 4, putative Get druggable targets OG5_128614 All targets in OG5_128614
Onchocerca volvulus Dipeptidyl peptidase family member 1 homolog Get druggable targets OG5_128614 All targets in OG5_128614
Brugia malayi prolyl oligopeptidase family protein Get druggable targets OG5_128614 All targets in OG5_128614
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
Echinococcus granulosus survival motor neuron protein 1 0.0232 0.268 0.3156
Leishmania major aldehyde reductase, putative,oxidoreductase, putative 0.0665 0.7908 1
Schistosoma mansoni hypothetical protein 0.0047 0.0455 0.0536
Loa Loa (eye worm) glutaminase 0.0549 0.6509 0.8229
Echinococcus granulosus aldo keto reductase family 1 member B4 0.0665 0.7908 0.9312
Echinococcus granulosus Nuclear hormone receptor family member nhr 41 0.001 0.0006 0.0007
Brugia malayi Endonuclease/Exonuclease/phosphatase family protein 0.0011 0.0021 0.0019
Trypanosoma cruzi apurinic/apyrimidinic endonuclease 0.0056 0.0559 0.0682
Entamoeba histolytica prolyl oligopeptidase family protein 0.0017 0.0085 0.0081
Trichomonas vaginalis dihydrodiol dehydrogenase, putative 0.0665 0.7908 1
Trichomonas vaginalis aldo-keto reductase, putative 0.0665 0.7908 1
Trypanosoma brucei aldo-keto reductase, putative 0.0665 0.7908 1
Trypanosoma cruzi prolyl endopeptidase 0.0017 0.0085 0.0081
Schistosoma mansoni cpg binding protein 0.003 0.0243 0.0287
Echinococcus multilocularis aldo keto reductase family 1, member B4 0.0665 0.7908 0.7908
Entamoeba histolytica acyl-CoA synthetase, putative 0.0025 0.0181 0.0202
Schistosoma mansoni neutral sphingomyelinase 0.0011 0.0021 0.0025
Brugia malayi calcium-independent alpha-latrotoxin receptor 2, putative 0.0064 0.0651 0.0816
Onchocerca volvulus 0.0665 0.7908 1
Trypanosoma brucei Dipeptidyl-peptidase 8-like, putative 0.007 0.0734 0.0904
Entamoeba histolytica prolyl oligopeptidase family protein 0.0017 0.0085 0.0081
Echinococcus granulosus CCR4 NOT transcription complex subunit 6 0.0011 0.0021 0.0025
Mycobacterium ulcerans long-chain-fatty-acid-CoA ligase 0.0025 0.0181 0.0122
Schistosoma mansoni survival motor neuron protein 0.0047 0.0455 0.0536
Trypanosoma brucei apurinic/apyrimidinic endonuclease, putative 0.0056 0.0559 0.0682
Echinococcus granulosus voltage gated potassium channel subunit 0.0193 0.2209 0.2601
Trichomonas vaginalis aldo-keto reductase, putative 0.0665 0.7908 1
Giardia lamblia Alanyl dipeptidyl peptidase 0.0017 0.0085 0.0081
Echinococcus granulosus nuclear receptor 2DBD gamma 0.001 0.0006 0.0007
Chlamydia trachomatis acylglycerophosphoethanolamine acyltransferase 0.0018 0.0106 0.5
Trichomonas vaginalis aldo-keto reductase, putative 0.0665 0.7908 1
Echinococcus multilocularis aldehyde reductase 0.0472 0.5584 0.5584
Plasmodium vivax oxidoreductase, aldo/keto reductase domain containing protein 0.0193 0.2209 1
Leishmania major oligopeptidase b 0.0017 0.0085 0.0081
Loa Loa (eye worm) hypothetical protein 0.0137 0.1541 0.1942
Brugia malayi CXXC zinc finger family protein 0.003 0.0243 0.03
Brugia malayi AMP-binding enzyme family protein 0.0025 0.0181 0.0221
Loa Loa (eye worm) hypothetical protein 0.0018 0.0106 0.0126
Echinococcus multilocularis nuclear receptor 2DBD gamma 0.001 0.0006 0.0006
Brugia malayi hypothetical protein 0.0026 0.0203 0.0249
Brugia malayi AMP-binding enzyme family protein 0.0025 0.0181 0.0221
Wolbachia endosymbiont of Brugia malayi exonuclease III 0.0056 0.0559 0.5
Toxoplasma gondii aldo/keto reductase family oxidoreductase 0.0193 0.2209 0.2774
Leishmania major hypothetical protein, conserved 0.0026 0.0203 0.0231
Mycobacterium tuberculosis Probable fatty-acid-CoA ligase FadD5 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase) 0.0017 0.0094 0.0092
Echinococcus granulosus aldo keto reductase family 1 member B4 0.0665 0.7908 0.9312
Loa Loa (eye worm) oxidoreductase 0.0665 0.7908 1
Echinococcus multilocularis CCR4 NOT transcription complex subunit 6 0.0011 0.0021 0.0021
Schistosoma mansoni ap endonuclease 0.0056 0.0559 0.0658
Loa Loa (eye worm) hypothetical protein 0.0025 0.0181 0.0221
Leishmania major prolyl oligopeptidase, putative,serine peptidase clan SC, family S9A, putative 0.0017 0.0085 0.0081
Schistosoma mansoni hypothetical protein 0.0175 0.1999 0.2354
Trichomonas vaginalis aldo-keto reductase, putative 0.0665 0.7908 1
Loa Loa (eye worm) hypothetical protein 0.0025 0.0181 0.0221
Loa Loa (eye worm) pigment dispersing factor receptor c 0.0201 0.2307 0.2911
Loa Loa (eye worm) endonuclease/Exonuclease/phosphatase 0.0011 0.0021 0.0019
Echinococcus granulosus hepatocyte nuclear factor 4 alpha 0.001 0.0006 0.0007
Leishmania major prostaglandin f synthase, putative 0.0665 0.7908 1
Echinococcus multilocularis dnaJ subfamily B 0.0423 0.4987 0.4987
Brugia malayi Latrophilin receptor protein 2 0.0064 0.0651 0.0816
Mycobacterium ulcerans long-chain fatty-acid CoA ligase 0.0025 0.0181 0.0122
Loa Loa (eye worm) latrophilin receptor protein 2 0.0064 0.0651 0.0816
Schistosoma mansoni coup transcription factor 0.001 0.0006 0.0007
Mycobacterium tuberculosis Probable chain -fatty-acid-CoA ligase FadD13 (fatty-acyl-CoA synthetase) 0.0025 0.0181 0.0202
Brugia malayi Pre-SET motif family protein 0.0407 0.479 0.6053
Echinococcus multilocularis aldo keto reductase 0.0665 0.7908 0.7908
Echinococcus granulosus muscleblind protein 0.0151 0.1711 0.2014
Loa Loa (eye worm) hypothetical protein 0.0025 0.0181 0.0221
Echinococcus multilocularis aldo keto reductase family 1, member B4 0.0665 0.7908 0.7908
Trichomonas vaginalis aldo-keto reductase, putative 0.0665 0.7908 1
Mycobacterium ulcerans glutaminase 0.0549 0.6509 0.8212
Mycobacterium tuberculosis Fatty-acid-AMP ligase FadD30 (fatty-acid-AMP synthetase) (fatty-acid-AMP synthase) 0.0018 0.0106 0.0108
Plasmodium falciparum aldo-keto reductase, putative 0.0193 0.2209 1
Schistosoma mansoni carbon catabolite repressor protein 0.0011 0.0021 0.0025
Leishmania major apurinic/apyrimidinic endonuclease-redox protein 0.0056 0.0559 0.0682
Brugia malayi CCR4 0.0011 0.0021 0.0019
Echinococcus multilocularis cpg binding protein 0.0031 0.0264 0.0264
Trichomonas vaginalis aldo/keto reductase, putative 0.0665 0.7908 1
Loa Loa (eye worm) hypothetical protein 0.0011 0.0021 0.0019
Mycobacterium ulcerans hypothetical protein 0.0025 0.0181 0.0122
Echinococcus granulosus neutral sphingomyelinase 0.0011 0.0021 0.0025
Trypanosoma cruzi oligopeptidase b 0.0017 0.0085 0.0081
Loa Loa (eye worm) hypothetical protein 0.0054 0.0534 0.0668
Trypanosoma brucei prostaglandin f synthase 0.0665 0.7908 1
Schistosoma mansoni thyroid hormone receptor 0.001 0.0006 0.0007
Brugia malayi AMP-binding enzyme family protein 0.0025 0.0181 0.0221
Schistosoma mansoni nuclear hormone receptor nor-1/nor-2 0.001 0.0006 0.0007
Trypanosoma cruzi serine peptidase, Clan SC, Family S9B 0.007 0.0734 0.0904
Loa Loa (eye worm) pre-SET domain-containing protein family protein 0.0407 0.479 0.6053
Echinococcus granulosus FTZ F1 alpha 0.001 0.0006 0.0007
Echinococcus granulosus aldo keto reductase family 1 member B4 0.0665 0.7908 0.9312
Echinococcus multilocularis prolyl endopeptidase 0.0017 0.0085 0.0085
Schistosoma mansoni dipeptidyl-peptidase 9 (S09 family) 0.007 0.0734 0.0864
Trichomonas vaginalis aldo/keto reductase, putative 0.0665 0.7908 1
Onchocerca volvulus 0.0665 0.7908 1
Echinococcus multilocularis diuretic hormone 44 receptor GPRdih2 0.0064 0.0651 0.0651
Onchocerca volvulus 0.0665 0.7908 1
Trypanosoma cruzi pantothenate kinase subunit, putative 0.0012 0.0033 0.0015
Mycobacterium tuberculosis Probable fatty-acid-CoA ligase FadD7 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase) 0.0017 0.0094 0.0092
Brugia malayi Muscleblind-like protein 0.0151 0.1711 0.2157
Entamoeba histolytica prolyl oligopeptidase family protein 0.0017 0.0085 0.0081
Schistosoma mansoni aldo-keto reductase 0.0665 0.7908 0.9312
Schistosoma mansoni hypothetical protein 0.0011 0.0021 0.0025
Echinococcus multilocularis cadherin EGF LAG seven pass G type receptor 0.0064 0.0651 0.0651
Echinococcus multilocularis aldo keto reductase 0.0665 0.7908 0.7908
Schistosoma mansoni hypothetical protein 0.0064 0.0651 0.0767
Onchocerca volvulus Huntingtin homolog 0.0122 0.1353 0.1705
Onchocerca volvulus 0.0047 0.0455 0.0568
Trichomonas vaginalis aldo-keto reductase, putative 0.0665 0.7908 1
Echinococcus multilocularis hepatocyte nuclear factor 4 alpha 0.001 0.0006 0.0006
Brugia malayi hypothetical protein 0.0232 0.268 0.3384
Leishmania major oligopeptidase B-like protein,serine peptidase, clan SC, family S9A-like protein 0.0017 0.0085 0.0081
Mycobacterium ulcerans fatty-acid-CoA ligase 0.0025 0.0181 0.0122
Schistosoma mansoni retinoid-x-receptor (RXR) 0.001 0.0006 0.0007
Echinococcus multilocularis geminin 0.0175 0.1999 0.1999
Onchocerca volvulus 0.0665 0.7908 1
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0059 0.0595 0.0701
Echinococcus multilocularis aldo keto reductase family 1, member B4 0.0665 0.7908 0.7908
Schistosoma mansoni photoreceptor-specific nuclear receptor related 0.001 0.0006 0.0007
Echinococcus multilocularis nuclear receptor 2DBD gamma 0.001 0.0006 0.0006
Loa Loa (eye worm) CXXC zinc finger family protein 0.003 0.0243 0.03
Trichomonas vaginalis dihydrodiol dehydrogenase, putative 0.0665 0.7908 1
Loa Loa (eye worm) hypothetical protein 0.0017 0.0085 0.01
Loa Loa (eye worm) hypothetical protein 0.0018 0.0106 0.0126
Brugia malayi Endonuclease/Exonuclease/phosphatase family protein 0.0011 0.0021 0.0019
Schistosoma mansoni hypothetical protein 0.0064 0.0651 0.0767
Trichomonas vaginalis aldo-keto reductase, putative 0.0665 0.7908 1
Loa Loa (eye worm) hypothetical protein 0.0156 0.177 0.2232
Loa Loa (eye worm) prolyl oligopeptidase 0.0209 0.241 0.3041
Giardia lamblia Alanyl dipeptidyl peptidase 0.0017 0.0085 0.0081
Toxoplasma gondii histone lysine methyltransferase SET1 0.0058 0.059 0.0721
Echinococcus multilocularis thyroid hormone receptor alpha 0.001 0.0006 0.0006
Trypanosoma brucei oligopeptidase b 0.0017 0.0085 0.0081
Loa Loa (eye worm) hypothetical protein 0.0017 0.0085 0.01
Brugia malayi Iron-sulfur cluster assembly accessory protein 0.0047 0.0455 0.0568
Echinococcus multilocularis aldo keto reductase family 1, member B4 0.0665 0.7908 0.7908
Trypanosoma brucei serine peptidase, Clan SC, Family S9B 0.007 0.0734 0.0904
Mycobacterium tuberculosis Probable exodeoxyribonuclease III protein XthA (exonuclease III) (EXO III) (AP endonuclease VI) 0.0056 0.0559 0.0682
Brugia malayi prolyl oligopeptidase family protein 0.0017 0.0085 0.01
Schistosoma mansoni RAR-like nuclear receptor 0.001 0.0006 0.0007
Loa Loa (eye worm) oxidoreductase 0.0665 0.7908 1
Schistosoma mansoni prolyl oligopeptidase (S09 family) 0.0017 0.0085 0.01
Schistosoma mansoni steroid hormone receptor ad4bp 0.001 0.0006 0.0007
Entamoeba histolytica exodeoxyribonuclease III, putative 0.0056 0.0559 0.0682
Plasmodium vivax hypothetical protein, conserved 0.0017 0.0085 0.0293
Brugia malayi glutamate-cysteine ligase modifier subunit 0.0193 0.2209 0.2788
Loa Loa (eye worm) hypothetical protein 0.0059 0.0595 0.0745
Mycobacterium ulcerans hypothetical protein 0.0193 0.2209 0.2715
Schistosoma mansoni cpg binding protein 0.0031 0.0264 0.0311
Trypanosoma cruzi hypothetical protein, conserved 0.0017 0.0085 0.0081
Toxoplasma gondii histone lysine methyltransferase SET/SUV39 0.0059 0.0595 0.0728
Brugia malayi hypothetical protein 0.0054 0.0534 0.0668
Onchocerca volvulus 0.0011 0.0021 0.0019
Trichomonas vaginalis glutaminase, putative 0.0549 0.6509 0.8226
Onchocerca volvulus Huntingtin homolog 0.0122 0.1353 0.1705
Entamoeba histolytica aldose reductase, putative 0.0665 0.7908 1
Entamoeba histolytica acyl-coA synthetase, putative 0.0025 0.0181 0.0202
Loa Loa (eye worm) hypothetical protein 0.0018 0.0106 0.0126
Echinococcus multilocularis acylamino acid releasing enzyme 0.0017 0.0085 0.0085
Echinococcus granulosus retinoic acid receptor rxr beta a 0.001 0.0006 0.0007
Echinococcus granulosus aldo keto reductase family 1 member B4 0.0665 0.7908 0.9312
Schistosoma mansoni prolyl oligopeptidase (S09 family) 0.0017 0.0085 0.01
Brugia malayi GTP-binding regulatory protein Gs alpha-S chain, putative 0.0047 0.0456 0.0569
Schistosoma mansoni prolyl oligopeptidase (S09 family) 0.0017 0.0085 0.01
Trichomonas vaginalis aldo-keto reductase, putative 0.0193 0.2209 0.2774
Trypanosoma cruzi oligopeptidase b 0.0017 0.0085 0.0081
Schistosoma mansoni microtubule-associated protein tau 0.0713 0.8493 1
Mycobacterium ulcerans acyl-CoA synthetase 0.0025 0.0181 0.0122
Trypanosoma cruzi PAB1-binding protein , putative 0.0026 0.0203 0.0231
Toxoplasma gondii hypothetical protein 0.0017 0.0085 0.0081
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0047 0.0456 0.0537
Toxoplasma gondii oxidoreductase, aldo/keto reductase family protein 0.0193 0.2209 0.2774
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0047 0.0456 0.0537
Loa Loa (eye worm) endonuclease/Exonuclease/phosphatase 0.0011 0.0021 0.0019
Trypanosoma brucei prolyl endopeptidase 0.0017 0.0085 0.0081
Mycobacterium ulcerans fatty-acid-CoA ligase 0.0018 0.0106 0.0027
Brugia malayi Endonuclease/Exonuclease/phosphatase family protein 0.0011 0.0021 0.0019
Echinococcus granulosus cadherin EGF LAG seven pass G type receptor 0.0064 0.0651 0.0767
Schistosoma mansoni synaptojanin 0.0011 0.0021 0.0025
Echinococcus granulosus ecdysone induced protein 78C 0.001 0.0006 0.0007
Leishmania major aldo-keto reductase-like protein 0.0665 0.7908 1
Toxoplasma gondii dipeptidyl peptidase iv (dpp iv) n-terminal region domain-containing protein 0.007 0.0734 0.0904
Echinococcus granulosus histone lysine N methyltransferase MLL3 0.0011 0.0022 0.0026
Trichomonas vaginalis aldo-keto reductase, putative 0.0193 0.2209 0.2774
Leishmania major prostaglandin f2-alpha synthase/D-arabinose dehydrogenase 0.0665 0.7908 1
Plasmodium vivax acyl-CoA synthetase, putative 0.0018 0.0106 0.0388
Entamoeba histolytica aldose reductase, putative 0.0665 0.7908 1
Brugia malayi prolyl oligopeptidase family protein 0.0017 0.0085 0.01
Echinococcus multilocularis endonuclease exonuclease phosphatase 0.0011 0.0021 0.0021
Entamoeba histolytica alcohol dehydrogenase, putative 0.0193 0.2209 0.2774
Echinococcus multilocularis deoxyribonuclease 1 2 0.0011 0.0021 0.0021
Trichomonas vaginalis ap endonuclease, putative 0.0056 0.0559 0.0682
Trypanosoma brucei aldo/keto reductase, putative 0.0193 0.2209 0.2774
Schistosoma mansoni pol-related 0.0665 0.7908 0.9312
Loa Loa (eye worm) oxidoreductase 0.0665 0.7908 1
Mycobacterium tuberculosis Probable fatty-acid-CoA ligase FadD3 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase) 0.0017 0.0094 0.0092
Plasmodium falciparum ataxin-2 like protein, putative 0.0026 0.0203 0.0832
Echinococcus granulosus traf and tnf receptor associated protein 0.0011 0.0021 0.0025
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0047 0.0456 0.0537
Brugia malayi prolyl oligopeptidase family protein 0.0017 0.0085 0.01
Trichomonas vaginalis conserved hypothetical protein 0.0017 0.0085 0.0081
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0047 0.0456 0.0537
Loa Loa (eye worm) hypothetical protein 0.0017 0.0085 0.01
Echinococcus granulosus prolyl endopeptidase 0.0017 0.0085 0.01
Entamoeba histolytica acyl-CoA synthetase, putative 0.0025 0.0181 0.0202
Plasmodium falciparum ataxin-2 like protein, putative 0.0026 0.0203 0.0832
Trichomonas vaginalis aldo-keto reductase, putative 0.0665 0.7908 1
Echinococcus granulosus hypothetical protein 0.0665 0.7908 0.9312
Trypanosoma cruzi aldo-keto reductase 0.0665 0.7908 1
Schistosoma mansoni synaptojanin 0.0011 0.0021 0.0025
Onchocerca volvulus 0.0463 0.5466 0.6909
Schistosoma mansoni ocrl type II inositol 5-phosphatase 0.0011 0.0021 0.0025
Toxoplasma gondii aldose reductase, putative 0.0665 0.7908 1
Mycobacterium tuberculosis Probable oxidoreductase 0.0665 0.7908 1
Schistosoma mansoni nuclear receptor 2DBD-gamma 0.001 0.0006 0.0007
Echinococcus granulosus Ataxin 2 N terminaldomain containing protein 0.0012 0.0028 0.0033
Onchocerca volvulus 0.0665 0.7908 1
Leishmania major 4-coumarate:coa ligase-like protein 0.0025 0.0181 0.0202
Brugia malayi Pre-SET motif family protein 0.0059 0.0595 0.0745
Plasmodium falciparum acyl-CoA synthetase 0.0018 0.0106 0.0388
Trichomonas vaginalis conserved hypothetical protein 0.0193 0.2209 0.2774
Entamoeba histolytica dipeptidyl-peptidase, putative 0.0017 0.0085 0.0081
Brugia malayi Endonuclease/Exonuclease/phosphatase family protein 0.0011 0.0021 0.0019
Brugia malayi oxidoreductase, aldo/keto reductase family protein 0.0665 0.7908 1
Echinococcus granulosus diuretic hormone 44 receptor GPRdih2 0.0064 0.0651 0.0767
Echinococcus multilocularis aldo keto reductase family 1, member B4 0.0665 0.7908 0.7908
Trichomonas vaginalis aldo-keto reductase, putative 0.0665 0.7908 1
Trypanosoma brucei PAB1-binding protein , putative 0.0026 0.0203 0.0231
Trypanosoma cruzi PAB1-binding protein , putative 0.0026 0.0203 0.0231
Trypanosoma cruzi aldo/keto reductase, putative 0.0193 0.2209 0.2774
Trichomonas vaginalis aldo/keto reductase, putative 0.0665 0.7908 1
Echinococcus multilocularis aldo keto reductase family 1, member B4 0.0665 0.7908 0.7908
Echinococcus granulosus aldo keto reductase 0.0665 0.7908 0.9312
Schistosoma mansoni aldo-keto reductase 0.0665 0.7908 0.9312
Schistosoma mansoni potassium channel beta 0.0193 0.2209 0.2601
Echinococcus multilocularis Dipeptidyl peptidase 9 0.007 0.0734 0.0734
Loa Loa (eye worm) hypothetical protein 0.0026 0.0203 0.0249
Echinococcus granulosus synaptojanin 1 0.0011 0.0021 0.0025
Echinococcus granulosus geminin 0.0175 0.1999 0.2354
Brugia malayi hypothetical protein 0.0122 0.1353 0.1705
Entamoeba histolytica alcohol dehydrogenase, putative 0.0193 0.2209 0.2774
Plasmodium vivax SET domain protein, putative 0.0059 0.0595 0.2624
Loa Loa (eye worm) endonuclease/Exonuclease/phosphatase 0.0011 0.0021 0.0019
Echinococcus granulosus aldo keto reductase family 1 member B4 0.0665 0.7908 0.9312
Trichomonas vaginalis aldo-keto reductase, putative 0.0193 0.2209 0.2774
Loa Loa (eye worm) hypothetical protein 0.0232 0.268 0.3384
Echinococcus granulosus aldo keto reductase family 1 member B4 0.0665 0.7908 0.9312
Loa Loa (eye worm) exodeoxyribonuclease III family protein 0.0056 0.0559 0.0699
Echinococcus granulosus DNA apurinic or apyrimidinic site lyase 0.0056 0.0559 0.0658
Mycobacterium leprae Conserved hypothetical protein 0.0472 0.5584 0.7029
Brugia malayi oxidoreductase, aldo/keto reductase family protein 0.0665 0.7908 1
Schistosoma mansoni cpg binding protein 0.0031 0.0264 0.0311
Trypanosoma cruzi dipeptidyl-peptidase 8-like serine peptidase 0.007 0.0734 0.0904
Echinococcus granulosus GPCR family 2 0.0064 0.0651 0.0767
Echinococcus multilocularis ecdysone induced protein 78C 0.001 0.0006 0.0006
Brugia malayi Endonuclease/Exonuclease/phosphatase family protein 0.0011 0.0021 0.0019
Onchocerca volvulus Dipeptidyl peptidase family member 1 homolog 0.0209 0.241 0.3041
Toxoplasma gondii prolyl endopeptidase 0.0017 0.0085 0.0081
Echinococcus multilocularis voltage gated potassium channel subunit 0.0193 0.2209 0.2209
Echinococcus granulosus dipeptidyl aminopeptidaseprotein 0.0209 0.241 0.2837
Schistosoma mansoni glutaminase 0.0549 0.6509 0.7664
Trichomonas vaginalis ap endonuclease, putative 0.0056 0.0559 0.0682
Brugia malayi F/Y-rich N-terminus family protein 0.0011 0.002 0.0018
Trypanosoma cruzi hypothetical protein, conserved 0.0017 0.0085 0.0081
Trypanosoma cruzi apurinic/apyrimidinic endonuclease, putative 0.0056 0.0559 0.0682
Onchocerca volvulus 0.003 0.0243 0.03
Onchocerca volvulus 0.0025 0.0181 0.0221
Trypanosoma brucei prolyl oligopeptidase, putative 0.0017 0.0085 0.0081
Loa Loa (eye worm) CCR4-NOT transcription complex subunit 6 family protein 0.0011 0.0021 0.0019
Schistosoma mansoni thyroid hormone receptor 0.001 0.0006 0.0007
Echinococcus granulosus COUP TF:Svp nuclear hormone receptor 0.001 0.0006 0.0007
Mycobacterium tuberculosis Probable fatty-acid-CoA ligase FadD2 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase) 0.0025 0.0181 0.0202
Toxoplasma gondii aldo-keto reductase 0.0193 0.2209 0.2774
Echinococcus multilocularis inositol polyphosphate 5 phosphatase OCRL 1 0.0011 0.0021 0.0021
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0059 0.0595 0.0701
Schistosoma mansoni cript-related 0.0011 0.0021 0.0025
Mycobacterium ulcerans long-chain-fatty-acid--CoA ligase 0.0025 0.0181 0.0122
Echinococcus granulosus endonuclease exonuclease phosphatase 0.0011 0.0021 0.0025
Loa Loa (eye worm) hypothetical protein 0.0018 0.0106 0.0126
Echinococcus multilocularis aldo keto reductase family 1, member B4 0.0665 0.7908 0.7908
Entamoeba histolytica hypothetical protein, conserved 0.0017 0.0085 0.0081
Loa Loa (eye worm) hypothetical protein 0.0665 0.7908 1
Schistosoma mansoni Tr4/Tr2 (homologue) 0.001 0.0006 0.0007
Echinococcus multilocularis survival motor neuron protein 1 0.0232 0.268 0.268
Onchocerca volvulus 0.0193 0.2209 0.2788
Trypanosoma brucei Alpha/beta hydrolase domain-containing protein 0.0017 0.0085 0.0081
Plasmodium vivax aldehyde reductase, putative 0.0193 0.2209 1
Echinococcus granulosus aldo keto reductase 0.0665 0.7908 0.9312
Giardia lamblia Aldose reductase 0.0665 0.7908 1
Echinococcus granulosus aldo keto reductase family 1 member B4 0.0665 0.7908 0.9312
Mycobacterium ulcerans acyl-CoA synthetase 0.0025 0.0181 0.0122
Echinococcus multilocularis aldo keto reductase 0.0665 0.7908 0.7908
Loa Loa (eye worm) hypothetical protein 0.0122 0.1353 0.1705
Echinococcus multilocularis histone lysine N methyltransferase SETMAR 0.0059 0.0595 0.0595
Mycobacterium leprae PROBABLE OXIDOREDUCTASE 0.0665 0.7908 1
Loa Loa (eye worm) endonuclease/Exonuclease/phosphatase 0.0011 0.0021 0.0019
Schistosoma mansoni hypothetical protein 0.0012 0.0028 0.0033
Echinococcus multilocularis aldo keto reductase family 1, member B4 0.0665 0.7908 0.7908
Schistosoma mansoni acylaminoacyl-peptidase (S09 family) 0.0017 0.0085 0.01
Echinococcus multilocularis histone lysine N methyltransferase MLL3 0.0011 0.0022 0.0022
Trypanosoma cruzi serine peptidase, clan SC, family S9A-like protein, putative 0.0017 0.0085 0.0081
Schistosoma mansoni hypothetical protein 0.0175 0.1999 0.2354
Brugia malayi hypothetical protein 0.0156 0.177 0.2232
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0059 0.0595 0.0701
Trichomonas vaginalis aldo-keto reductase, putative 0.0665 0.7908 1
Entamoeba histolytica aldose reductase, putative 0.0665 0.7908 1
Plasmodium falciparum aldehyde reductase, putative 0.0193 0.2209 1
Mycobacterium leprae Possible oxidoreductase 0.0193 0.2209 0.2715
Plasmodium falciparum peptidase, putative 0.0017 0.0085 0.0293
Echinococcus multilocularis FTZ F1 alpha 0.001 0.0006 0.0006
Loa Loa (eye worm) hypothetical protein 0.0011 0.0021 0.0019
Giardia lamblia Aldose reductase 0.0665 0.7908 1
Loa Loa (eye worm) prolyl oligopeptidase 0.0017 0.0085 0.01
Echinococcus multilocularis histone lysine methyltransferase setb histone lysine methyltransferase eggless 0.0059 0.0595 0.0595
Echinococcus multilocularis muscleblind protein 1 0.0151 0.1711 0.1711
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0047 0.0456 0.0456
Schistosoma mansoni hypothetical protein 0.0064 0.0651 0.0767
Schistosoma mansoni hypothetical protein 0.0137 0.1541 0.1814
Onchocerca volvulus 0.0665 0.7908 1
Mycobacterium ulcerans oxidoreductase 0.0665 0.7908 1
Echinococcus multilocularis synaptojanin 1 0.0011 0.0021 0.0021
Echinococcus granulosus dnaJ subfamily B 0.0423 0.4987 0.5872
Mycobacterium ulcerans exodeoxyribonuclease III protein XthA 0.0056 0.0559 0.0606
Brugia malayi NADH-dependent xylose reductase 0.0193 0.2209 0.2788
Brugia malayi exodeoxyribonuclease III family protein 0.0056 0.0559 0.0699
Plasmodium falciparum AP endonuclease (DNA-[apurinic or apyrimidinic site] lyase), putative 0.0056 0.0559 0.2458
Trichomonas vaginalis alcohol dehydrogenase, putative 0.0193 0.2209 0.2774
Leishmania major dipeptidyl-peptidase 8-like serine peptidase, putative,serine peptidase, Clan SC, Family S9B 0.007 0.0734 0.0904
Loa Loa (eye worm) oxidoreductase 0.0665 0.7908 1
Leishmania major 4-coumarate:coa ligase-like protein 0.0025 0.0181 0.0202
Echinococcus multilocularis dipeptidyl aminopeptidaseprotein 0.0209 0.241 0.241
Loa Loa (eye worm) glutaminase 2 0.0549 0.6509 0.8229
Echinococcus multilocularis microtubule associated protein 2 0.0713 0.8493 0.8493
Echinococcus multilocularis Ataxin 2, N terminal,domain containing protein 0.0012 0.0028 0.0028
Echinococcus granulosus aldo keto reductase family 1 member B4 0.0665 0.7908 0.9312
Schistosoma mansoni histone-lysine n-methyltransferase suv9 0.0059 0.0595 0.0701
Schistosoma mansoni nocturnin 0.0011 0.0021 0.0025
Echinococcus granulosus FTZ F1 nuclear receptor protein 0.001 0.0006 0.0007
Trichomonas vaginalis dihydrodiol dehydrogenase, putative 0.0665 0.7908 1
Echinococcus multilocularis DNA (apurinic or apyrimidinic site) lyase 0.0056 0.0559 0.0559
Plasmodium vivax AP endonuclease (DNA-[apurinic or apyrimidinic site] lyase), putative 0.0056 0.0559 0.2458
Giardia lamblia Endonuclease/Exonuclease/phosphatase 0.0056 0.0559 0.0682
Onchocerca volvulus 0.0156 0.177 0.2232
Onchocerca volvulus 0.0011 0.0021 0.0019
Onchocerca volvulus Prolyl endopeptidase homolog 0.0017 0.0085 0.01
Schistosoma mansoni subfamily S9B unassigned peptidase (S09 family) 0.0209 0.241 0.2837
Trypanosoma cruzi oligopeptidase B-like protein, putative 0.0017 0.0085 0.0081
Echinococcus multilocularis aldo keto reductase 0.0665 0.7908 0.7908
Schistosoma mansoni nuclear hormone receptor 0.001 0.0006 0.0007
Leishmania major aldo/keto reductase, putative,aldo/keto reductase family-like protein 0.0193 0.2209 0.2774
Mycobacterium tuberculosis Probable peptidase 0.0017 0.0085 0.0081
Echinococcus multilocularis aldo keto reductase family 1, member B4 0.0665 0.7908 0.7908
Brugia malayi glutaminase DH11.1 0.0549 0.6509 0.8229
Mycobacterium leprae PROBABLE FATTY-ACID-CoA LIGASE FADD7 (FATTY-ACID-CoA SYNTHETASE) (FATTY-ACID-CoA SYNTHASE) 0.0025 0.0181 0.0122
Trypanosoma brucei serine peptidase, clan SC, family S9A-like protein 0.0017 0.0085 0.0081
Echinococcus granulosus aldo keto reductase 0.0665 0.7908 0.9312
Brugia malayi oxidoreductase, aldo/keto reductase family protein 0.0665 0.7908 1
Echinococcus multilocularis neutral sphingomyelinase 0.0011 0.0021 0.0021
Echinococcus granulosus aldo keto reductase family 1, member B4 0.0193 0.2209 0.2601
Echinococcus granulosus microtubule associated protein 2 0.0713 0.8493 1
Echinococcus granulosus aldehyde reductase 0.0472 0.5584 0.6575
Onchocerca volvulus 0.0059 0.0595 0.0745
Loa Loa (eye worm) glutamate-cysteine ligase modifier subunit 0.0193 0.2209 0.2788
Loa Loa (eye worm) hypothetical protein 0.0011 0.0021 0.0019
Brugia malayi prolyl oligopeptidase family protein 0.007 0.0734 0.0921
Brugia malayi Endonuclease/Exonuclease/phosphatase family protein 0.0011 0.0021 0.0019
Schistosoma mansoni hypothetical protein 0.0423 0.4987 0.5872
Plasmodium vivax ataxin-2 like protein, putative 0.0026 0.0203 0.0832
Echinococcus multilocularis COUP TF:Svp nuclear hormone receptor 0.001 0.0006 0.0006
Loa Loa (eye worm) hypothetical protein 0.0011 0.0021 0.0019
Loa Loa (eye worm) hypothetical protein 0.0018 0.0106 0.0126
Echinococcus granulosus histone lysine methyltransferase setb 0.0059 0.0595 0.0701
Trichomonas vaginalis set domain proteins, putative 0.0463 0.5466 0.6904
Schistosoma mansoni retinoic acid receptor RXR 0.001 0.0006 0.0007
Trichomonas vaginalis aldo-keto reductase, putative 0.0665 0.7908 1
Echinococcus multilocularis muscleblind protein 0.0151 0.1711 0.1711
Leishmania major pantothenate kinase subunit, putative 0.0012 0.0033 0.0015
Echinococcus granulosus cpg binding protein 0.0031 0.0264 0.0311
Brugia malayi Endonuclease/Exonuclease/phosphatase family protein 0.0011 0.0021 0.0019
Echinococcus multilocularis FTZ F1 nuclear receptor protein 0.001 0.0006 0.0006
Echinococcus multilocularis GPCR, family 2 0.0064 0.0651 0.0651
Mycobacterium leprae PROBABLE FATTY-ACID-CoA LIGASE FADD2 (FATTY-ACID-CoA SYNTHETASE) (FATTY-ACID-CoA SYNTHASE) 0.0025 0.0181 0.0122
Mycobacterium tuberculosis Probable fatty-acid-CoA ligase FadD35 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase) 0.0017 0.0094 0.0092
Loa Loa (eye worm) hypothetical protein 0.0151 0.1711 0.2157
Mycobacterium ulcerans acyl-CoA synthetase 0.0025 0.0181 0.0122
Trichomonas vaginalis aldo-keto reductase, putative 0.0665 0.7908 1
Loa Loa (eye worm) GTP-binding regulatory protein Gs alpha-S chain 0.0047 0.0456 0.0569
Brugia malayi hypothetical protein 0.0017 0.009 0.0107
Echinococcus multilocularis aldo keto reductase family 1, member B4 0.0665 0.7908 0.7908
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0047 0.0456 0.0456
Entamoeba histolytica dipeptidyl-peptidase, putative 0.0017 0.0085 0.0081
Toxoplasma gondii acylaminoacyl-peptidase, putative 0.0017 0.0085 0.0081
Treponema pallidum exodeoxyribonuclease (exoA) 0.0056 0.0559 1
Echinococcus granulosus Dipeptidyl peptidase 9 0.007 0.0734 0.0864
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.0201 0.2307 0.2911
Schistosoma mansoni mixed-lineage leukemia protein mll 0.0065 0.0671 0.079
Loa Loa (eye worm) oxidoreductase 0.0665 0.7908 1
Echinococcus granulosus aldo keto reductase family 1 member B4 0.0665 0.7908 0.9312
Echinococcus granulosus acylamino acid releasing enzyme 0.0017 0.0085 0.01
Loa Loa (eye worm) endonuclease/Exonuclease/phosphatase 0.0011 0.0021 0.0019
Schistosoma mansoni ap endonuclease 0.0056 0.0559 0.0658
Schistosoma mansoni hypothetical protein 0.0064 0.0651 0.0767
Trypanosoma cruzi aldo/keto reductase, putative 0.0665 0.7908 1
Echinococcus granulosus 5'partial|histone lysine N methyltransferase SETDB2 0.0056 0.0562 0.0661
Echinococcus granulosus nuclear receptor 2DBD gamma 0.001 0.0006 0.0007
Echinococcus multilocularis Nuclear hormone receptor family member nhr 41 0.001 0.0006 0.0006
Toxoplasma gondii exonuclease III APE 0.0056 0.0559 0.0682
Toxoplasma gondii LsmAD domain-containing protein 0.0026 0.0203 0.0231
Echinococcus granulosus inositol polyphosphate 5 phosphatase OCRL 1 0.0011 0.0021 0.0025
Brugia malayi oxidoreductase, aldo/keto reductase family protein 0.0665 0.7908 1
Mycobacterium tuberculosis Probable protease II PtrBb [second part] (oligopeptidase B) 0.0017 0.0085 0.0081
Brugia malayi latrophilin 2 splice variant baaae 0.0137 0.1541 0.1942
Loa Loa (eye worm) hypothetical protein 0.0064 0.0651 0.0816
Mycobacterium tuberculosis Conserved protein 0.0193 0.2209 0.2774
Brugia malayi Calcitonin receptor-like protein seb-1 0.0201 0.2307 0.2911
Loa Loa (eye worm) hypothetical protein 0.0201 0.2307 0.2911
Onchocerca volvulus Putative neutral sphingomyelinase 0.0011 0.0021 0.0019
Loa Loa (eye worm) histone methyltransferase 0.0011 0.0022 0.002
Brugia malayi prolyl oligopeptidase family protein 0.0209 0.241 0.3041
Schistosoma mansoni FTZ-F1 nuclear receptor-like protein 0.001 0.0006 0.0007
Brugia malayi Endonuclease/Exonuclease/phosphatase family protein 0.0011 0.0021 0.0019
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0047 0.0456 0.0537
Brugia malayi Endonuclease/Exonuclease/phosphatase family protein 0.0011 0.0021 0.0019
Echinococcus multilocularis traf and tnf receptor associated protein 0.0011 0.0021 0.0021
Trichomonas vaginalis Clan SC, family S33, methylesterase-like serine peptidase 0.0017 0.0085 0.0081
Trichomonas vaginalis Clan SC, family S9, acylaminoacyl-peptidase-like serine peptidase 0.0017 0.0085 0.0081
Loa Loa (eye worm) hypothetical protein 0.0151 0.1711 0.2157
Leishmania major 4-coumarate:coa ligase-like protein 0.0025 0.0181 0.0202
Loa Loa (eye worm) hypothetical protein 0.0122 0.1353 0.1705
Echinococcus multilocularis aldo keto reductase family 1, member B4 0.0665 0.7908 0.7908

Activities

Activity type Activity value Assay description Source Reference
IC50 (binding) = 430 nM Inhibition of human DPP4 ChEMBL. 20031405

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.
 
In any case, if you have information about papers containing relevant validation data for this target, please log in using your TDR Targets username and password and send them to us using the corresponding form in this page (only visible to registered users) or contact us.

External resources for this compound

Bibliographic References

1 literature reference was collected for this gene.

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