Detailed information for compound 837269

Basic information

Technical information
  • TDR Targets ID: 837269
  • Name: (2R)-2-(3-oxo-1H-isoindol-2-yl)-3-(phenylmeth ylsulfanyl)-N-propan-2-ylpropanamide
  • MW: 368.492 | Formula: C21H24N2O2S
  • H donors: 1 H acceptors: 2 LogP: 3.28 Rotable bonds: 8
    Rule of 5 violations (Lipinski): 1
  • SMILES: CC(NC(=O)[C@@H](N1Cc2c(C1=O)cccc2)CSCc1ccccc1)C
  • InChi: 1S/C21H24N2O2S/c1-15(2)22-20(24)19(14-26-13-16-8-4-3-5-9-16)23-12-17-10-6-7-11-18(17)21(23)25/h3-11,15,19H,12-14H2,1-2H3,(H,22,24)/t19-/m0/s1
  • InChiKey: SDWDVGWBVNHZNV-IBGZPJMESA-N  


Substructure search Similarity search

Network

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Synonyms

  • (2R)-N-isopropyl-2-(1-oxoisoindolin-2-yl)-3-(phenylmethylsulfanyl)propanamide
  • (2R)-N-isopropyl-2-(1-oxo-2-isoindolinyl)-3-(phenylmethylthio)propanamide
  • (2R)-3-(benzylthio)-N-isopropyl-2-(1-ketoisoindolin-2-yl)propionamide
  • (2R)-2-(3-oxo-1H-isoindol-2-yl)-3-(phenylmethylsulfanyl)-N-propan-2-yl-propanamide
  • (2R)-3-(benzylthio)-N-isopropyl-2-(1-oxo-1,3-dihydro-2H-isoindol-2-yl)propanamide
  • MLS000586812
  • SMR000208742

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Homo sapiens APEX nuclease (multifunctional DNA repair enzyme) 1 Starlite/ChEMBL No references
Homo sapiens ataxin 2 Starlite/ChEMBL No references

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Trichomonas vaginalis ap endonuclease, putative Get druggable targets OG5_126768 All targets in OG5_126768
Schistosoma japonicum DNA-(apurinic or apyrimidinic site) lyase 2, putative Get druggable targets OG5_126768 All targets in OG5_126768
Schistosoma mansoni ap endonuclease Get druggable targets OG5_126768 All targets in OG5_126768
Mycobacterium tuberculosis Probable exodeoxyribonuclease III protein XthA (exonuclease III) (EXO III) (AP endonuclease VI) Get druggable targets OG5_126768 All targets in OG5_126768
Schistosoma japonicum ko:K10772 AP endonuclease 2, putative Get druggable targets OG5_126768 All targets in OG5_126768
Leishmania major apurinic/apyrimidinic endonuclease-redox protein Get druggable targets OG5_126768 All targets in OG5_126768
Leishmania infantum apurinic/apyrimidinic endonuclease-redox protein Get druggable targets OG5_126768 All targets in OG5_126768
Schistosoma mansoni ap endonuclease Get druggable targets OG5_126768 All targets in OG5_126768
Cryptosporidium parvum conserved hypothetical protein Get druggable targets OG5_126768 All targets in OG5_126768
Plasmodium berghei AP endonuclease (DNA-[apurinic or apyrimidinic site] lyase), putative Get druggable targets OG5_126768 All targets in OG5_126768
Plasmodium knowlesi AP endonuclease (DNA-[apurinic or apyrimidinic site] lyase), putative Get druggable targets OG5_126768 All targets in OG5_126768
Toxoplasma gondii exonuclease III APE Get druggable targets OG5_126768 All targets in OG5_126768
Leishmania mexicana apurinic/apyrimidinic endonuclease-redox protein,AP-endonuclease Get druggable targets OG5_126768 All targets in OG5_126768
Schistosoma japonicum DNA-(apurinic or apyrimidinic site) lyase 2, putative Get druggable targets OG5_126768 All targets in OG5_126768
Plasmodium vivax AP endonuclease (DNA-[apurinic or apyrimidinic site] lyase), putative Get druggable targets OG5_126768 All targets in OG5_126768
Trypanosoma brucei apurinic/apyrimidinic endonuclease, putative Get druggable targets OG5_126768 All targets in OG5_126768
Echinococcus multilocularis DNA (apurinic or apyrimidinic site) lyase Get druggable targets OG5_126768 All targets in OG5_126768
Wolbachia endosymbiont of Brugia malayi exonuclease III Get druggable targets OG5_126768 All targets in OG5_126768
Candida albicans similar to S. cerevisiae APN2 (YBL019W) DNA repair apurinic/apyrimidinic endonuclease Get druggable targets OG5_126768 All targets in OG5_126768
Schistosoma japonicum ko:K10771 AP endonuclease 1, putative Get druggable targets OG5_126768 All targets in OG5_126768
Theileria parva hypothetical protein Get druggable targets OG5_126768 All targets in OG5_126768
Candida albicans similar to S. cerevisiae APN2 (YBL019W) DNA repair apurinic/apyrimidinic endonuclease Get druggable targets OG5_126768 All targets in OG5_126768
Plasmodium yoelii putative AP endonuclease-related Get druggable targets OG5_126768 All targets in OG5_126768
Treponema pallidum exodeoxyribonuclease (exoA) Get druggable targets OG5_126768 All targets in OG5_126768
Trypanosoma congolense apurinic/apyrimidinic endonuclease, putative Get druggable targets OG5_126768 All targets in OG5_126768
Brugia malayi exodeoxyribonuclease III family protein Get druggable targets OG5_126768 All targets in OG5_126768
Entamoeba histolytica exodeoxyribonuclease III, putative Get druggable targets OG5_126768 All targets in OG5_126768
Echinococcus granulosus DNA apurinic or apyrimidinic site lyase Get druggable targets OG5_126768 All targets in OG5_126768
Neospora caninum hypothetical protein Get druggable targets OG5_126768 All targets in OG5_126768
Cryptosporidium hominis dna-(apurinic or apyrimidinic site) lyase Get druggable targets OG5_126768 All targets in OG5_126768
Mycobacterium ulcerans exodeoxyribonuclease III protein XthA Get druggable targets OG5_126768 All targets in OG5_126768
Plasmodium falciparum AP endonuclease (DNA-[apurinic or apyrimidinic site] lyase), putative Get druggable targets OG5_126768 All targets in OG5_126768
Trypanosoma cruzi apurinic/apyrimidinic endonuclease Get druggable targets OG5_126768 All targets in OG5_126768
Leishmania braziliensis apurinic/apyrimidinic endonuclease-redox protein Get druggable targets OG5_126768 All targets in OG5_126768
Trypanosoma cruzi apurinic/apyrimidinic endonuclease, putative Get druggable targets OG5_126768 All targets in OG5_126768
Trypanosoma brucei gambiense apurinic/apyrimidinic endonuclease, putative Get druggable targets OG5_126768 All targets in OG5_126768
Leishmania donovani apurinic/apyrimidinic endonuclease-redox protein Get druggable targets OG5_126768 All targets in OG5_126768
Loa Loa (eye worm) exodeoxyribonuclease III family protein Get druggable targets OG5_126768 All targets in OG5_126768
Giardia lamblia Endonuclease/Exonuclease/phosphatase Get druggable targets OG5_126768 All targets in OG5_126768
Trichomonas vaginalis ap endonuclease, putative Get druggable targets OG5_126768 All targets in OG5_126768
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
Toxoplasma gondii 3-oxo-5-alpha-steroid 4-dehydrogenase 0.0046 0.0795 0.6947
Trichomonas vaginalis ap endonuclease, putative 0.0023 0.0111 0.0398
Leishmania major p450 reductase, putative 0.0113 0.2777 0.9122
Trichomonas vaginalis 3-oxo-5-alpha-steroid 4-dehydrogenase, putative 0.0046 0.0795 0.2864
Brugia malayi exodeoxyribonuclease III family protein 0.0023 0.0111 0.0111
Leishmania major cytochrome P450 reductase, putative 0.01 0.2398 0.7877
Trichomonas vaginalis ap endonuclease, putative 0.0023 0.0111 0.0398
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0047 0.0824 0.0824
Echinococcus multilocularis carbonic anhydrase II 0.0122 0.3044 0.3044
Trypanosoma brucei apurinic/apyrimidinic endonuclease, putative 0.0023 0.0111 0.0363
Brugia malayi Carboxylesterase family protein 0.0029 0.0303 0.0303
Toxoplasma gondii 3-oxo-5-alpha-steroid 4-dehydrogenase 0.0046 0.0795 0.6947
Schistosoma mansoni carbonic anhydrase 0.0028 0.0262 0.0262
Loa Loa (eye worm) hypothetical protein 0.0029 0.0303 0.0303
Brugia malayi follicle stimulating hormone receptor 0.0237 0.6426 0.6426
Echinococcus multilocularis carbonic anhydrase 0.0028 0.0262 0.0262
Schistosoma mansoni ap endonuclease 0.0023 0.0111 0.0111
Giardia lamblia Synaptic glycoprotein SC2 0.0046 0.0795 0.3317
Leishmania major hypothetical protein, conserved 0.003 0.0338 0.1112
Trypanosoma cruzi NADPH-dependent FMN/FAD containing oxidoreductase, putative 0.0113 0.2777 0.9122
Brugia malayi Carboxylesterase family protein 0.0029 0.0303 0.0303
Echinococcus granulosus carboxylesterase 5A 0.0088 0.2044 0.2044
Echinococcus multilocularis NADPH dependent diflavin oxidoreductase 1 0.0113 0.2777 0.2777
Loa Loa (eye worm) hypothetical protein 0.0029 0.0303 0.0303
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.0051 0.0948 0.0948
Trypanosoma cruzi Flavodoxin/Radical SAM superfamily/Wyosine base formation, putative 0.0043 0.0717 0.2355
Plasmodium vivax ataxin-2 like protein, putative 0.003 0.0338 0.0855
Schistosoma mansoni BC026374 protein (S09 family) 0.0029 0.0303 0.0303
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0047 0.0824 0.0824
Loa Loa (eye worm) hypothetical protein 0.0046 0.0795 0.0795
Loa Loa (eye worm) hypothetical protein 0.0051 0.0948 0.0948
Loa Loa (eye worm) hypothetical protein 0.0046 0.0795 0.0795
Echinococcus multilocularis carbonic anhydrase 0.0028 0.0262 0.0262
Trypanosoma cruzi carbonic anhydrase-like protein, putative 0.0122 0.3044 1
Schistosoma mansoni acetylcholinesterase 0.0029 0.0303 0.0303
Plasmodium falciparum ataxin-2 like protein, putative 0.003 0.0338 0.0855
Loa Loa (eye worm) pigment dispersing factor receptor c 0.0051 0.0948 0.0948
Echinococcus granulosus acetylcholinesterase 0.0088 0.2044 0.2044
Entamoeba histolytica type A flavoprotein, putative 0.0043 0.0717 0.9016
Loa Loa (eye worm) hypothetical protein 0.0035 0.0471 0.0471
Loa Loa (eye worm) eukaryotic-type carbonic anhydrase 0.0028 0.0262 0.0262
Echinococcus multilocularis methionine synthase reductase 0.007 0.1501 0.1501
Schistosoma mansoni family S9 non-peptidase homologue (S09 family) 0.0029 0.0303 0.0303
Brugia malayi Eukaryotic-type carbonic anhydrase family protein 0.0122 0.3044 0.3044
Schistosoma mansoni hypothetical protein 0.017 0.445 0.445
Echinococcus multilocularis DNA (apurinic or apyrimidinic site) lyase 0.0023 0.0111 0.0111
Brugia malayi Eukaryotic-type carbonic anhydrase family protein 0.0028 0.0262 0.0262
Echinococcus multilocularis NADPH cytochrome P450 reductase 0.0113 0.2777 0.2777
Echinococcus granulosus methionine synthase reductase 0.007 0.1501 0.1501
Brugia malayi hypothetical protein 0.003 0.0338 0.0338
Plasmodium vivax polyprenol reductase, putative 0.0046 0.0795 0.2568
Schistosoma mansoni family S9 non-peptidase homologue (S09 family) 0.0029 0.0303 0.0303
Trypanosoma cruzi cytochrome P450 reductase, putative 0.0113 0.2777 0.9122
Mycobacterium ulcerans hypothetical protein 0.0046 0.0795 0.1871
Brugia malayi FAD binding domain containing protein 0.007 0.1501 0.1501
Echinococcus granulosus 3 oxo 5 alpha steroid 4 dehydrogenase C terminal 0.0046 0.0795 0.0795
Mycobacterium ulcerans formate dehydrogenase H FdhF 0.0113 0.2777 0.6533
Loa Loa (eye worm) FAD binding domain-containing protein 0.0113 0.2777 0.2777
Mycobacterium ulcerans carboxylesterase, LipT 0.0163 0.4251 1
Brugia malayi Carbonic anhydrase like protein 2 precursor 0.0028 0.0262 0.0262
Loa Loa (eye worm) hypothetical protein 0.0046 0.0795 0.0795
Schistosoma mansoni carbonic anhydrase-related 0.0028 0.0262 0.0262
Trichomonas vaginalis carboxylesterase domain containing protein, putative 0.0029 0.0303 0.109
Trichomonas vaginalis sulfite reductase, putative 0.0113 0.2777 1
Schistosoma mansoni hypothetical protein 0.0035 0.0471 0.0471
Brugia malayi Eukaryotic-type carbonic anhydrase family protein 0.0028 0.0262 0.0262
Schistosoma mansoni carbonic anhydrase-related 0.0028 0.0262 0.0262
Echinococcus granulosus carbonic anhydrase 0.0028 0.0262 0.0262
Echinococcus granulosus carbonic anhydrase 0.0028 0.0262 0.0262
Echinococcus granulosus BC026374 protein S09 family 0.0029 0.0303 0.0303
Brugia malayi Carboxylesterase family protein 0.0088 0.2044 0.2044
Trypanosoma cruzi Flavodoxin/Radical SAM superfamily/Wyosine base formation, putative 0.0043 0.0717 0.2355
Trypanosoma cruzi apurinic/apyrimidinic endonuclease, putative 0.0023 0.0111 0.0363
Brugia malayi hypothetical protein 0.0029 0.0303 0.0303
Brugia malayi Carboxylesterase family protein 0.0029 0.0303 0.0303
Schistosoma mansoni synaptic glycoprotein sc2 related 0.0046 0.0795 0.0795
Plasmodium falciparum 3-oxo-5-alpha-steroid 4-dehydrogenase, putative 0.0046 0.0795 0.2568
Schistosoma mansoni ap endonuclease 0.0023 0.0111 0.0111
Trypanosoma cruzi NADPH--cytochrome P450 reductase, putative 0.0043 0.0717 0.2355
Schistosoma mansoni carbonic anhydrase-related 0.0028 0.0262 0.0262
Loa Loa (eye worm) hypothetical protein 0.0028 0.0262 0.0262
Loa Loa (eye worm) flavodoxin family protein 0.0043 0.0717 0.0717
Loa Loa (eye worm) eukaryotic-type carbonic anhydrase 0.0122 0.3044 0.3044
Loa Loa (eye worm) hypothetical protein 0.0029 0.0303 0.0303
Trypanosoma brucei carbonic anhydrase-like protein 0.0122 0.3044 1
Entamoeba histolytica type A flavoprotein, putative 0.0043 0.0717 0.9016
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0047 0.0824 0.0824
Trichomonas vaginalis conserved hypothetical protein 0.0046 0.0795 0.2864
Mycobacterium tuberculosis POSSIBLE PARA-NITROBENZYL ESTERASE (FRAGMENT) 0.0029 0.0303 0.0712
Leishmania major 3-oxo-5-alpha-steroid 4-dehydrogenase-like protein 0.0046 0.0795 0.2613
Loa Loa (eye worm) protein-tyrosine phosphatase 0.0358 1 1
Loa Loa (eye worm) carboxylesterase 0.0088 0.2044 0.2044
Trichomonas vaginalis synaptic glycoprotein sc2, putative 0.0046 0.0795 0.2864
Loa Loa (eye worm) hypothetical protein 0.0028 0.0262 0.0262
Loa Loa (eye worm) hypothetical protein 0.0088 0.2044 0.2044
Echinococcus multilocularis tyrosine protein phosphatase non receptor type 0.0358 1 1
Trichomonas vaginalis 3-oxo-5-alpha-steroid 4-dehydrogenase, putative 0.0046 0.0795 0.2864
Entamoeba histolytica type A flavoprotein, putative 0.0043 0.0717 0.9016
Mycobacterium ulcerans exodeoxyribonuclease III protein XthA 0.0023 0.0111 0.026
Toxoplasma gondii 3-oxo-5-alpha-steroid 4-dehydrogenase 0.0046 0.0795 0.6947
Loa Loa (eye worm) carboxylesterase 0.0029 0.0303 0.0303
Echinococcus granulosus tyrosine protein phosphatase non receptor type 0.0358 1 1
Brugia malayi hypothetical protein 0.002 0.002 0.002
Echinococcus multilocularis 3 oxo 5 alpha steroid 4 dehydrogenase, C terminal 0.0046 0.0795 0.0795
Entamoeba histolytica steroid 5-alpha reductase, putative 0.0046 0.0795 1
Loa Loa (eye worm) carbonic anhydrase 3 0.0122 0.3044 0.3044
Brugia malayi Synaptic glycoprotein SC2 0.0046 0.0795 0.0795
Trypanosoma brucei S-adenosyl-L-methionine-dependent tRNA 4-demethylwyosine synthase, putative 0.0043 0.0717 0.2355
Loa Loa (eye worm) hypothetical protein 0.0088 0.2044 0.2044
Schistosoma mansoni hypothetical protein 0.0028 0.0262 0.0262
Trypanosoma cruzi 3-oxo-5-alpha-steroid 4-dehydrogenase, putative 0.0046 0.0795 0.2613
Plasmodium falciparum carbonic anhydrase 0.0028 0.0262 0.0569
Brugia malayi GTP-binding regulatory protein Gs alpha-S chain, putative 0.0047 0.0824 0.0824
Plasmodium falciparum ataxin-2 like protein, putative 0.003 0.0338 0.0855
Echinococcus multilocularis acetylcholinesterase 0.0088 0.2044 0.2044
Echinococcus granulosus family S9 non peptidase ue S09 family 0.0029 0.0303 0.0303
Entamoeba histolytica type A flavoprotein, putative 0.0043 0.0717 0.9016
Trypanosoma cruzi apurinic/apyrimidinic endonuclease 0.0023 0.0111 0.0363
Trypanosoma cruzi carbonic anhydrase-like protein, putative 0.0122 0.3044 1
Echinococcus multilocularis geminin 0.017 0.445 0.445
Echinococcus granulosus NADPH dependent diflavin oxidoreductase 1 0.0113 0.2777 0.2777
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0047 0.0824 0.0824
Echinococcus granulosus synaptic glycoprotein sc2 0.0046 0.0795 0.0795
Brugia malayi Carboxylesterase family protein 0.0029 0.0303 0.0303
Echinococcus granulosus acetylcholinesterase 0.0088 0.2044 0.2044
Echinococcus multilocularis carboxylesterase 5A 0.0088 0.2044 0.2044
Schistosoma mansoni synaptic glycoprotein sc2 related 0.0046 0.0795 0.0795
Schistosoma mansoni neuroligin 3 (S09 family) 0.0029 0.0303 0.0303
Schistosoma mansoni carbonic anhydrase II (carbonate dehydratase II) 0.0122 0.3044 0.3044
Trichomonas vaginalis conserved hypothetical protein 0.0046 0.0795 0.2864
Trypanosoma brucei PAB1-binding protein , putative 0.003 0.0338 0.1112
Chlamydia trachomatis sulfite reductase 0.007 0.1501 0.5
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0047 0.0824 0.0824
Trypanosoma brucei 3-oxo-5-alpha-steroid 4-dehydrogenase, putative 0.0046 0.0795 0.2613
Trypanosoma brucei 3-oxo-5-alpha-steroid 4-dehydrogenase-like, putative 0.0046 0.0795 0.2613
Brugia malayi FAD binding domain containing protein 0.0113 0.2777 0.2777
Trichomonas vaginalis synaptic glycoprotein sc2, putative 0.0046 0.0795 0.2864
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0047 0.0824 0.0824
Giardia lamblia Nitric oxide synthase, inducible 0.01 0.2398 1
Trypanosoma brucei NADPH-cytochrome p450 reductase, putative 0.0113 0.2777 0.9122
Loa Loa (eye worm) exodeoxyribonuclease III family protein 0.0023 0.0111 0.0111
Trichomonas vaginalis NADPH cytochrome P450, putative 0.0043 0.0717 0.2582
Echinococcus granulosus carbonic anhydrase II 0.0122 0.3044 0.3044
Plasmodium vivax hypothetical protein, conserved 0.0043 0.0717 0.2274
Loa Loa (eye worm) hypothetical protein 0.0028 0.0262 0.0262
Giardia lamblia Endonuclease/Exonuclease/phosphatase 0.0023 0.0111 0.0461
Giardia lamblia Hypothetical protein 0.01 0.2398 1
Trypanosoma cruzi 3-oxo-5-alpha-steroid 4-dehydrogenase, putative 0.0046 0.0795 0.2613
Plasmodium falciparum NADPH--cytochrome P450 reductase, putative 0.0043 0.0717 0.2274
Loa Loa (eye worm) hypothetical protein 0.0029 0.0303 0.0303
Trypanosoma cruzi p450 reductase, putative 0.0113 0.2777 0.9122
Toxoplasma gondii flavodoxin domain-containing protein 0.0056 0.1096 1
Plasmodium vivax 3-oxo-5-alpha-steroid 4-dehydrogenase, putative 0.0046 0.0795 0.2568
Brugia malayi Putative carbonic anhydrase 5 precursor 0.0122 0.3044 0.3044
Trypanosoma brucei NADPH--cytochrome P450 reductase, putative 0.0113 0.2777 0.9122
Trichomonas vaginalis spcc417.12 protein, putative 0.0029 0.0303 0.109
Schistosoma mansoni NADPH flavin oxidoreductase 0.0057 0.1122 0.1122
Schistosoma mansoni family S9 non-peptidase homologue (S09 family) 0.0029 0.0303 0.0303
Schistosoma mansoni hypothetical protein 0.017 0.445 0.445
Echinococcus multilocularis family S9 non peptidase ue (S09 family) 0.0029 0.0303 0.0303
Toxoplasma gondii LsmAD domain-containing protein 0.003 0.0338 0.2312
Echinococcus multilocularis neuroligin 0.0029 0.0303 0.0303
Leishmania major apurinic/apyrimidinic endonuclease-redox protein 0.0023 0.0111 0.0363
Loa Loa (eye worm) hypothetical protein 0.003 0.0338 0.0338
Schistosoma mansoni protein tyrosine phosphatase non-receptor type nt1 0.0358 1 1
Trypanosoma cruzi PAB1-binding protein , putative 0.003 0.0338 0.1112
Toxoplasma gondii flavodoxin domain-containing protein 0.0056 0.1096 1
Schistosoma mansoni diflavin oxidoreductase 0.0056 0.1096 0.1096
Mycobacterium tuberculosis POSSIBLE PARA-NITROBENZYL ESTERASE (FRAGMENT) 0.0029 0.0303 0.0712
Schistosoma mansoni 5-methyl tetrahydrofolate-homocysteine methyltransferase reductase 0.007 0.1501 0.1501
Echinococcus multilocularis carbonic anhydrase 0.0028 0.0262 0.0262
Plasmodium vivax NADPH-cytochrome p450 reductase, putative 0.0113 0.2777 1
Trichomonas vaginalis NADPH fad oxidoreductase, putative 0.01 0.2398 0.8634
Brugia malayi flavodoxin family protein 0.0043 0.0717 0.0717
Echinococcus multilocularis acetylcholinesterase 0.0088 0.2044 0.2044
Wolbachia endosymbiont of Brugia malayi exonuclease III 0.0023 0.0111 0.5
Schistosoma mansoni family S9 non-peptidase homologue (S09 family) 0.0088 0.2044 0.2044
Loa Loa (eye worm) hypothetical protein 0.0029 0.0303 0.0303
Trichomonas vaginalis 3-oxo-5-alpha-steroid 4-dehydrogenase, putative 0.0046 0.0795 0.2864
Trichomonas vaginalis NADPH cytochrome P450, putative 0.0043 0.0717 0.2582
Loa Loa (eye worm) carboxylesterase 0.0029 0.0303 0.0303
Brugia malayi latrophilin 2 splice variant baaae 0.0035 0.0471 0.0471
Mycobacterium tuberculosis Carboxylesterase LipT 0.0163 0.4251 1
Trypanosoma brucei NADPH-dependent diflavin oxidoreductase 1 0.0113 0.2777 0.9122
Trichomonas vaginalis 3-oxo-5-alpha-steroid 4-dehydrogenase, putative 0.0046 0.0795 0.2864
Leishmania major carbonic anhydrase-like protein 0.0122 0.3044 1
Plasmodium falciparum S-adenosyl-L-methionine-dependent tRNA 4-demethylwyosine synthase, putative 0.0043 0.0717 0.2274
Plasmodium falciparum nitric oxide synthase, putative 0.0113 0.2777 1
Echinococcus multilocularis para nitrobenzyl esterase 0.0029 0.0303 0.0303
Echinococcus multilocularis BC026374 protein (S09 family) 0.0029 0.0303 0.0303
Entamoeba histolytica type A flavoprotein, putative 0.0043 0.0717 0.9016
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0047 0.0824 0.0824
Echinococcus granulosus para nitrobenzyl esterase 0.0029 0.0303 0.0303
Brugia malayi Calcitonin receptor-like protein seb-1 0.0051 0.0948 0.0948
Loa Loa (eye worm) hypothetical protein 0.0029 0.0303 0.0303
Brugia malayi Carboxylesterase family protein 0.0088 0.2044 0.2044
Schistosoma mansoni carbonic anhydrase II (carbonate dehydratase II) 0.0122 0.3044 0.3044
Trichomonas vaginalis synaptic glycoprotein sc2, putative 0.0046 0.0795 0.2864
Brugia malayi 3-oxo-5-alpha-steroid 4-dehydrogenase 1 0.0046 0.0795 0.0795
Loa Loa (eye worm) acetylcholinesterase 1 0.0088 0.2044 0.2044
Echinococcus granulosus NADPH cytochrome P450 reductase 0.0113 0.2777 0.2777
Entamoeba histolytica 3-oxo-5-alpha-steroid 4-dehydrogenase domain-containing protein 0.0046 0.0795 1
Echinococcus granulosus geminin 0.017 0.445 0.445
Trichomonas vaginalis NADPH cytochrome P450, putative 0.0043 0.0717 0.2582
Schistosoma mansoni cytochrome P450 reductase 0.0113 0.2777 0.2777
Plasmodium vivax flavodoxin domain containing protein 0.01 0.2398 0.8578
Loa Loa (eye worm) hypothetical protein 0.0113 0.2777 0.2777
Brugia malayi flavodoxin family protein 0.0113 0.2777 0.2777
Loa Loa (eye worm) FAD binding domain-containing protein 0.007 0.1501 0.1501
Brugia malayi Carbonic anhydrase like protein 2 precursor 0.0028 0.0262 0.0262
Echinococcus granulosus neuroligin 0.0029 0.0303 0.0303
Echinococcus multilocularis synaptic glycoprotein sc2 0.0046 0.0795 0.0795
Trypanosoma cruzi PAB1-binding protein , putative 0.003 0.0338 0.1112
Loa Loa (eye worm) GTP-binding regulatory protein Gs alpha-S chain 0.0047 0.0824 0.0824
Brugia malayi Eukaryotic-type carbonic anhydrase family protein 0.0028 0.0262 0.0262
Leishmania major hypothetical protein, conserved 0.0043 0.0717 0.2355
Entamoeba histolytica exodeoxyribonuclease III, putative 0.0023 0.0111 0.1391
Mycobacterium tuberculosis Probable exodeoxyribonuclease III protein XthA (exonuclease III) (EXO III) (AP endonuclease VI) 0.0023 0.0111 0.026
Loa Loa (eye worm) follicle stimulating hormone receptor 0.0237 0.6426 0.6426
Toxoplasma gondii hypothetical protein 0.0028 0.0262 0.154
Entamoeba histolytica hypothetical protein 0.0046 0.0795 1
Echinococcus granulosus DNA apurinic or apyrimidinic site lyase 0.0023 0.0111 0.0111
Echinococcus granulosus carbonic anhydrase 0.0028 0.0262 0.0262
Schistosoma mansoni gliotactin 0.0029 0.0303 0.0303
Leishmania major NADPH-cytochrome p450 reductase-like protein 0.0113 0.2777 0.9122
Loa Loa (eye worm) hypothetical protein 0.0029 0.0303 0.0303
Trypanosoma brucei NADPH--cytochrome P450 reductase, putative 0.0113 0.2777 0.9122
Plasmodium falciparum polyprenol reductase, putative 0.0046 0.0795 0.2568
Trichomonas vaginalis NADPH cytochrome P450, putative 0.0043 0.0717 0.2582
Onchocerca volvulus 0.0046 0.0795 1
Treponema pallidum flavodoxin 0.0043 0.0717 1
Entamoeba histolytica trans-2,3-enoyl-CoA reductase, putative 0.0046 0.0795 1
Trypanosoma cruzi cytochrome P450 reductase, putative 0.0113 0.2777 0.9122
Trypanosoma cruzi 3-oxo-5-alpha-steroid 4-dehydrogenase, putative 0.0046 0.0795 0.2613

Activities

Activity type Activity value Assay description Source Reference
Potency (functional) 0.7943 uM PubChem BioAssay. qHTS for Inhibitors of ATXN expression. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 7.9433 uM PubChem BioAssay. qHTS Assay for Inhibitors of the Human Apurinic/apyrimidinic Endonuclease 1 (APE1). (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 28.1838 uM PubChem BioAssay. qHTS of GLP-1 Receptor Inverse Agonists (Inhibition Mode). (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) = 44.6684 um PUBCHEM_BIOASSAY: qHTS Inhibitors of AmpC Beta-Lactamase (assay with detergent). (Class of assay: confirmatory) [Related pubchem assays: 1002 (Confirmation Concentration-Response Assay for Inhibitors of AmpC Beta-Lactamase (assay with detergent)), 585 (Promiscuous and Specific Inhibitors of AmpC Beta-Lactamase (assay without detergent) - a screen old NIH MLSMR collection), 584 (Promiscuous and Specific Inhibitors of AmpC Beta-Lactamase (assay with detergent) - a screen of the old NIH MLSMR collection), 1003 (Confirmation Cuvette-Based Assay for Inhibitors of AmpC Beta-Lactamase (assay with detergent))] ChEMBL. No reference
Potency (functional) 112.2018 uM PubChem BioAssay. qHTS of PTHR Inhibitors: Primary Screen. (Class of assay: confirmatory) ChEMBL. No reference

Phenotypes

Whole-cell/tissue/organism interactions

We have no records of whole-cell/tissue assays done with this compound What does this mean?

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

Annotated phenotypes:

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

Bibliographic References

No literature references available for this target.

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