Detailed information for compound 889307

Basic information

Technical information
  • TDR Targets ID: 889307
  • Name: N-(1-ethoxy-2,6-dimethyl-4-oxo-1-cyclohexa-2, 5-dienyl)benzamide
  • MW: 285.338 | Formula: C17H19NO3
  • H donors: 1 H acceptors: 2 LogP: 1.62 Rotable bonds: 5
    Rule of 5 violations (Lipinski): 1
  • SMILES: CCOC1(NC(=O)c2ccccc2)C(=CC(=O)C=C1C)C
  • InChi: 1S/C17H19NO3/c1-4-21-17(12(2)10-15(19)11-13(17)3)18-16(20)14-8-6-5-7-9-14/h5-11H,4H2,1-3H3,(H,18,20)
  • InChiKey: JJPUSLVKWXFTHV-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

  • N-(1-ethoxy-4-keto-2,6-dimethyl-1-cyclohexa-2,5-dienyl)benzamide
  • ChemDiv3_003688
  • Oprea1_488340
  • MLS000042998
  • N-(1-ethoxy-2,6-dimethyl-4-oxocyclohexa-2,5-dien-1-yl)benzamide
  • SMR000019425
  • Oprea1_680092
  • IDI1_021598

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Homo sapiens GNAS complex locus Starlite/ChEMBL No references
Homo sapiens chromobox homolog 1 Starlite/ChEMBL No references
Homo sapiens ataxin 2 Starlite/ChEMBL No references
Homo sapiens APEX nuclease (multifunctional DNA repair enzyme) 1 Starlite/ChEMBL No references
Homo sapiens hydroxysteroid (17-beta) dehydrogenase 10 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) exodeoxyribonuclease III family protein Get druggable targets OG5_126768 All targets in OG5_126768
Neospora caninum 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
Loa Loa (eye worm) 3-hydroxyacyl-CoA dehydrogenase type II Get druggable targets OG5_129031 All targets in OG5_129031
Schistosoma mansoni 3-hydroxyacyl-CoA dehydrogenase Get druggable targets OG5_129031 All targets in OG5_129031
Leishmania major 3-oxoacyl-(acyl-carrier protein) reductase, putative Get druggable targets OG5_129031 All targets in OG5_129031
Schistosoma japonicum DNA-(apurinic or apyrimidinic site) lyase 2, 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
Trichomonas vaginalis chromobox protein, putative Get druggable targets OG5_129545 All targets in OG5_129545
Mycobacterium ulcerans short-chain type dehydrogenase/reductase Get druggable targets OG5_129031 All targets in OG5_129031
Loa Loa (eye worm) GTP-binding regulatory protein Gs alpha-S chain Get druggable targets OG5_131088 All targets in OG5_131088
Giardia lamblia Endonuclease/Exonuclease/phosphatase Get druggable targets OG5_126768 All targets in OG5_126768
Brugia malayi Heterochromatin protein 1 Get druggable targets OG5_129545 All targets in OG5_129545
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) Get druggable targets OG5_131088 All targets in OG5_131088
Brugia malayi 3-hydroxyacyl-CoA dehydrogenase type II Get druggable targets OG5_129031 All targets in OG5_129031
Brugia malayi GTP-binding regulatory protein Gs alpha-S chain, putative Get druggable targets OG5_131088 All targets in OG5_131088
Schistosoma japonicum ko:K10772 AP endonuclease 2, putative Get druggable targets OG5_126768 All targets in OG5_126768
Cryptosporidium hominis scully CG7113-PA Get druggable targets OG5_129031 All targets in OG5_129031
Trichomonas vaginalis chromobox protein, putative Get druggable targets OG5_129545 All targets in OG5_129545
Cryptosporidium parvum conserved hypothetical protein Get druggable targets OG5_126768 All targets in OG5_126768
Echinococcus granulosus guanine nucleotide binding protein Gs subunit Get druggable targets OG5_131088 All targets in OG5_131088
Plasmodium knowlesi AP endonuclease (DNA-[apurinic or apyrimidinic site] lyase), putative 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
Echinococcus granulosus 3 hydroxyacyl coenzyme A dehydrogenase type 2 Get druggable targets OG5_129031 All targets in OG5_129031
Cryptosporidium hominis dna-(apurinic or apyrimidinic site) lyase 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
Plasmodium vivax AP endonuclease (DNA-[apurinic or apyrimidinic site] lyase), putative Get druggable targets OG5_126768 All targets in OG5_126768
Echinococcus multilocularis chromobox protein 1 Get druggable targets OG5_129545 All targets in OG5_129545
Plasmodium yoelii putative AP endonuclease-related 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 mexicana apurinic/apyrimidinic endonuclease-redox protein,AP-endonuclease 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
Treponema pallidum exodeoxyribonuclease (exoA) Get druggable targets OG5_126768 All targets in OG5_126768
Schistosoma japonicum ko:K04632 guanine nucleotide binding protein (G protein), alpha stimulating, putative Get druggable targets OG5_131088 All targets in OG5_131088
Mycobacterium tuberculosis Probable short-chain type dehydrogenase/reductase Get druggable targets OG5_129031 All targets in OG5_129031
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit Get druggable targets OG5_131088 All targets in OG5_131088
Trichomonas vaginalis ap endonuclease, putative 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 brucei gambiense apurinic/apyrimidinic endonuclease, putative Get druggable targets OG5_126768 All targets in OG5_126768
Cryptosporidium parvum scully CG7113-PA, putative Get druggable targets OG5_129031 All targets in OG5_129031
Leishmania donovani apurinic/apyrimidinic endonuclease-redox protein 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
Echinococcus multilocularis 3 hydroxyacyl coenzyme A dehydrogenase type 2 Get druggable targets OG5_129031 All targets in OG5_129031
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) Get druggable targets OG5_131088 All targets in OG5_131088
Echinococcus multilocularis chromobox protein 1 Get druggable targets OG5_129545 All targets in OG5_129545
Onchocerca volvulus Get druggable targets OG5_129545 All targets in OG5_129545
Echinococcus granulosus chromobox protein 1 Get druggable targets OG5_129545 All targets in OG5_129545
Theileria parva hypothetical protein Get druggable targets OG5_129545 All targets in OG5_129545
Onchocerca volvulus Heterochromatin protein 1 homolog Get druggable targets OG5_129545 All targets in OG5_129545
Entamoeba histolytica exodeoxyribonuclease III, 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
Loa Loa (eye worm) heterochromatin protein 1 Get druggable targets OG5_129545 All targets in OG5_129545
Schistosoma japonicum Chromobox protein homolog 5, putative Get druggable targets OG5_129545 All targets in OG5_129545
Mycobacterium ulcerans short-chain type dehydrogenase/reductase Get druggable targets OG5_129031 All targets in OG5_129031
Leishmania donovani 3-oxoacyl-(acyl-carrier protein) reductase, putative Get druggable targets OG5_129031 All targets in OG5_129031
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
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit Get druggable targets OG5_131088 All targets in OG5_131088
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) Get druggable targets OG5_131088 All targets in OG5_131088
Schistosoma japonicum ko:K10771 AP endonuclease 1, putative Get druggable targets OG5_126768 All targets in OG5_126768
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_129545 All targets in OG5_129545
Candida albicans similar to S. cerevisiae APN2 (YBL019W) DNA repair apurinic/apyrimidinic endonuclease Get druggable targets OG5_126768 All targets in OG5_126768
Schistosoma mansoni ap endonuclease Get druggable targets OG5_126768 All targets in OG5_126768
Echinococcus granulosus guanine nucleotide binding protein Gs subunit Get druggable targets OG5_131088 All targets in OG5_131088
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:K00022 3-hydroxyacyl-CoA dehydrogenase [EC1.1.1.35], putative Get druggable targets OG5_129031 All targets in OG5_129031
Schistosoma mansoni ap endonuclease Get druggable targets OG5_126768 All targets in OG5_126768
Schistosoma mansoni chromobox protein Get druggable targets OG5_129545 All targets in OG5_129545
Leishmania major apurinic/apyrimidinic endonuclease-redox protein Get druggable targets OG5_126768 All targets in OG5_126768
Theileria parva hypothetical protein 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
Leishmania braziliensis 3-oxoacyl-(acyl-carrier protein) reductase, putative Get druggable targets OG5_129031 All targets in OG5_129031
Echinococcus granulosus chromobox protein 1 Get druggable targets OG5_129545 All targets in OG5_129545
Echinococcus granulosus DNA apurinic or apyrimidinic site lyase 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
Schistosoma mansoni chromobox protein Get druggable targets OG5_129545 All targets in OG5_129545
Leishmania mexicana 3-oxoacyl-(acyl-carrier protein) reductase, putative Get druggable targets OG5_129031 All targets in OG5_129031
Wolbachia endosymbiont of Brugia malayi exonuclease III Get druggable targets OG5_126768 All targets in OG5_126768
Leishmania infantum 3-oxoacyl-(acyl-carrier protein) reductase, putative Get druggable targets OG5_129031 All targets in OG5_129031
Mycobacterium ulcerans exodeoxyribonuclease III protein XthA Get druggable targets OG5_126768 All targets in OG5_126768
Trichomonas vaginalis chromobox protein, putative Get druggable targets OG5_129545 All targets in OG5_129545
Trichomonas vaginalis chromobox protein, putative Get druggable targets OG5_129545 All targets in OG5_129545
Schistosoma japonicum DNA-(apurinic or apyrimidinic site) lyase 2, putative Get druggable targets OG5_126768 All targets in OG5_126768
By sequence similarity to non orthologous known druggable targets
Species Potential target Known druggable target Length Alignment span Identity
Plasmodium falciparum 3-oxoacyl-[acyl-carrier-protein] reductase hydroxysteroid (17-beta) dehydrogenase 10 252 aa 251 aa 24.7 %
Schistosoma mansoni GTP-binding protein alpha subunit gna GNAS complex locus 394 aa 450 aa 28.7 %
Obtained from network model

Ranking Plot

Putative Targets List

Species Potential target Raw Global Species
Schistosoma mansoni cyclic-nucleotide-gated cation channel 0.0068 0.0407 0.0407
Loa Loa (eye worm) hypothetical protein 0.0047 0.022 0.3981
Toxoplasma gondii LsmAD domain-containing protein 0.003 0.0069 0.3407
Plasmodium falciparum ataxin-2 like protein, putative 0.003 0.0069 0.3407
Mycobacterium tuberculosis Conserved hypothetical protein 0.0045 0.0204 0.4872
Onchocerca volvulus 0.0045 0.0204 0.6117
Treponema pallidum catabolite gene activator (Crp) 0.0045 0.0204 1
Toxoplasma gondii cAMP-dependent protein kinase regulatory subunit 0.0045 0.0204 1
Schistosoma mansoni 3-hydroxyacyl-CoA dehydrogenase 0.0069 0.0419 0.0419
Mycobacterium ulcerans hypothetical protein 0.0045 0.0204 0.4872
Trypanosoma cruzi cyclic nucleotide-binding domain containing protein, putative 0.0045 0.0204 1
Trichomonas vaginalis voltage and ligand gated potassium channel, putative 0.0045 0.0204 0.0507
Schistosoma mansoni voltage-gated potassium channel 0.0068 0.0407 0.0407
Trypanosoma cruzi regulatory subunit of protein kinase a-like protein, putative 0.0045 0.0204 1
Schistosoma mansoni cyclic nucleotide-gated ion channel 0.0045 0.0204 0.0204
Trichomonas vaginalis chromobox protein, putative 0.0051 0.0252 0.0627
Treponema pallidum cyclic nucleotide binding protein 0.0045 0.0204 1
Brugia malayi N-terminal motif family protein 0.0045 0.0204 0.3693
Brugia malayi GTP-binding regulatory protein Gs alpha-S chain, putative 0.0055 0.0292 0.5295
Trypanosoma cruzi cAMP binding protein, putative 0.0045 0.0204 1
Loa Loa (eye worm) cyclic-nucleotide gated cation channel 0.0068 0.0407 0.7376
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0055 0.0292 0.0292
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0055 0.0292 0.0292
Echinococcus granulosus potassium:sodium hyperpolarization activated 0.1135 1 1
Brugia malayi Cyclic-nucleotide gated cation channel, C. elegans tax-4 ortholog 0.0045 0.0204 0.3693
Trypanosoma cruzi regulatory subunit of protein kinase a-like protein, putative 0.0045 0.0204 1
Plasmodium vivax CAMP-dependent protein kinase regulatory subunit, putative 0.0045 0.0204 1
Mycobacterium tuberculosis Probable transcriptional regulatory protein Cmr 0.0045 0.0204 0.4872
Schistosoma mansoni neuropathy target esterase/swiss cheese-related protein 0.0045 0.0204 0.0204
Schistosoma mansoni cyclic-nucleotide-gated cation channel 0.0045 0.0204 0.0204
Echinococcus multilocularis potassium:sodium hyperpolarization activated 0.1135 1 1
Echinococcus multilocularis cyclic nucleotide gated cation channel 0.0068 0.0407 0.0407
Loa Loa (eye worm) cyclic-nucleotide gated cation channel 0.0068 0.0407 0.7376
Mycobacterium tuberculosis Probable conserved transmembrane transport protein 0.0045 0.0204 0.4872
Echinococcus granulosus chromobox protein 1 0.0084 0.0552 0.0552
Loa Loa (eye worm) heterochromatin protein 1 0.0084 0.0552 1
Echinococcus multilocularis cyclic nucleotide gated cation channel alpha 3 0.0068 0.0407 0.0407
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0055 0.0292 0.0292
Loa Loa (eye worm) GTP-binding regulatory protein Gs alpha-S chain 0.0055 0.0292 0.5295
Echinococcus granulosus cGMP dependent protein kinase 0.0045 0.0204 0.0204
Echinococcus multilocularis voltage gated potassium channel 0.0068 0.0407 0.0407
Schistosoma mansoni chromobox protein 0.0084 0.0552 0.0552
Leishmania major hypothetical protein, conserved 0.0045 0.0204 0.4872
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0055 0.0292 0.0292
Echinococcus granulosus potassium voltage gated channel subfamily H 0.0068 0.0407 0.0407
Echinococcus granulosus 3 hydroxyacyl coenzyme A dehydrogenase type 2 0.0069 0.0419 0.0419
Echinococcus multilocularis 3 hydroxyacyl coenzyme A dehydrogenase type 2 0.0069 0.0419 0.0419
Echinococcus granulosus Ion_trans_N domain containing protein 0.0665 0.5776 0.5776
Leishmania major regulatory subunit of protein kinase a-like protein 0.0045 0.0204 0.4872
Trichomonas vaginalis chromobox protein, putative 0.0084 0.0552 0.1373
Schistosoma mansoni hypothetical protein 0.0045 0.0204 0.0204
Echinococcus multilocularis cAMP dependent protein kinase regulatory 0.0045 0.0204 0.0204
Schistosoma mansoni serine/threonine protein kinase 0.0045 0.0204 0.0204
Echinococcus multilocularis chromobox protein 1 0.0084 0.0552 0.0552
Treponema pallidum catabolite gene activator 0.0045 0.0204 1
Echinococcus multilocularis potassium voltage gated channel subfamily H 0.0068 0.0407 0.0407
Brugia malayi Egg laying defective protein 4 0.0045 0.0204 0.3693
Loa Loa (eye worm) hypothetical protein 0.0037 0.0128 0.2322
Plasmodium falciparum cGMP-dependent protein kinase 0.0045 0.0204 1
Schistosoma mansoni camp-dependent rap1 guanine-nucleotide exchange factor 0.0045 0.0204 0.0204
Trypanosoma cruzi hypothetical protein, conserved 0.0045 0.0204 1
Leishmania major 3-oxoacyl-(acyl-carrier protein) reductase, putative 0.0069 0.0419 1
Trypanosoma cruzi PAB1-binding protein , putative 0.003 0.0069 0.3407
Echinococcus granulosus cyclic nucleotide gated cation channel alpha 3 0.0068 0.0407 0.0407
Schistosoma mansoni camp-dependent protein kinase type II-alpha regulatory subunit 0.0045 0.0204 0.0204
Schistosoma mansoni camp-dependent protein kinase regulatory chain 0.0045 0.0204 0.0204
Trypanosoma brucei PAB1-binding protein , putative 0.003 0.0069 0.3407
Echinococcus multilocularis cyclic nucleotide gated cation channel 0.0045 0.0204 0.0204
Echinococcus multilocularis hypothetical protein 0.0665 0.5776 0.5776
Trichomonas vaginalis conserved hypothetical protein 0.0045 0.0204 0.0507
Brugia malayi Hypothetical UPF0028 protein ZK370.4 in chromosome III, putative 0.0045 0.0204 0.3693
Leishmania major protein kinase A regulatory subunit, putative 0.0045 0.0204 0.4872
Schistosoma mansoni camp-dependent protein kinase type I-beta regulatory subunit 0.0045 0.0204 0.0204
Echinococcus multilocularis chromobox protein 1 0.0084 0.0552 0.0552
Echinococcus granulosus cGMP dependent protein kinase 1 0.0045 0.0204 0.0204
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0055 0.0292 0.0292
Echinococcus multilocularis hyperpolarization activated cyclic 0.1135 1 1
Schistosoma mansoni hypothetical protein 0.0665 0.5776 0.5776
Schistosoma mansoni hyperpolarization activated cyclic nucleotide-gated potassium channel 0.1135 1 1
Toxoplasma gondii cyclic nucleotide-binding domain-containing protein 0.0045 0.0204 1
Echinococcus granulosus cAMP dependent protein kinase regulatory 0.0045 0.0204 0.0204
Echinococcus granulosus cAMP dependent protein kinase type II regulatory 0.0045 0.0204 0.0204
Loa Loa (eye worm) voltage and ligand gated potassium channel 0.0068 0.0407 0.7376
Echinococcus multilocularis patatin phospholipase domain containing protein 0.0045 0.0204 0.0204
Loa Loa (eye worm) 3-hydroxyacyl-CoA dehydrogenase type II 0.0065 0.0377 0.6822
Schistosoma mansoni serine/threonine protein kinase 0.0045 0.0204 0.0204
Schistosoma mansoni voltage-gated potassium channel 0.0068 0.0407 0.0407
Echinococcus granulosus hyperpolarization activated cyclic 0.1135 1 1
Echinococcus multilocularis cGMP dependent protein kinase 1 0.0045 0.0204 0.0204
Mycobacterium ulcerans short-chain type dehydrogenase/reductase 0.0069 0.0419 1
Brugia malayi Cyclic-nucleotide gated cation channel 0.0068 0.0407 0.7376
Leishmania major hypothetical protein, conserved 0.0045 0.0204 0.4872
Schistosoma mansoni voltage-gated potassium channel 0.0068 0.0407 0.0407
Brugia malayi Voltage-gated potassium channel, EAG (KCNH1)-related. C. elegans egl-2 ortholog 0.0068 0.0407 0.7376
Schistosoma mansoni hyperpolarization activated cyclic nucleotide-gated potassium channel 0.1135 1 1
Mycobacterium ulcerans hypothetical protein 0.0045 0.0204 0.4872
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0055 0.0292 0.0292
Loa Loa (eye worm) hypothetical protein 0.003 0.0069 0.1258
Trichomonas vaginalis conserved hypothetical protein 0.0047 0.022 0.0547
Echinococcus granulosus voltage gated potassium channel 0.0068 0.0407 0.0407
Schistosoma mansoni camp-dependent protein kinase type II regulatory subunit 0.0045 0.0204 0.0204
Toxoplasma gondii cyclic nucleotide-binding domain-containing protein 0.0045 0.0204 1
Trypanosoma brucei Flagellar Member 6 0.0045 0.0204 1
Leishmania major hypothetical protein, conserved 0.003 0.0069 0.166
Mycobacterium ulcerans hypothetical protein 0.0045 0.0204 0.4872
Trypanosoma brucei cAMP response protein 1, putative 0.0045 0.0204 1
Schistosoma mansoni camp-dependent protein kinase type I-beta regulatory subunit 0.0045 0.0204 0.0204
Echinococcus multilocularis cyclic nucleotide gated cation channel 0.0045 0.0204 0.0204
Schistosoma mansoni hyperpolarization activated cyclic nucleotide-gated potassium channel 0.0447 0.3817 0.3817
Echinococcus multilocularis cGMP dependent protein kinase 1 0.0045 0.0204 0.0204
Echinococcus granulosus patatin phospholipase domain containing protein 0.0045 0.0204 0.0204
Trichomonas vaginalis voltage and ligand gated potassium channel, putative 0.0045 0.0204 0.0507
Brugia malayi hypothetical protein 0.003 0.0069 0.1258
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0055 0.0292 0.0292
Mycobacterium ulcerans transmembrane transport protein 0.0045 0.0204 0.4872
Schistosoma mansoni cyclic-nucleotide-gated cation channel 0.0068 0.0407 0.0407
Onchocerca volvulus Rap guanine nucleotide exchange factor 1 homolog 0.0045 0.0204 0.6117
Trypanosoma cruzi protein kinase A regulatory subunit 0.0045 0.0204 1
Mycobacterium tuberculosis Conserved hypothetical protein 0.0045 0.0204 0.4872
Schistosoma mansoni chromobox protein 0.0084 0.0552 0.0552
Mycobacterium ulcerans short-chain type dehydrogenase/reductase 0.0069 0.0419 1
Trypanosoma cruzi cAMP response protein 1 0.0045 0.0204 1
Echinococcus granulosus chromobox protein 1 0.0084 0.0552 0.0552
Toxoplasma gondii cyclic nucleotide-binding domain-containing protein 0.0045 0.0204 1
Plasmodium falciparum ataxin-2 like protein, putative 0.003 0.0069 0.3407
Schistosoma mansoni voltage-gated potassium channel 0.0068 0.0407 0.0407
Mycobacterium leprae Conserved hypothetical protein 0.0045 0.0204 0.5
Echinococcus granulosus cGMP dependent protein kinase 1 0.0045 0.0204 0.0204
Giardia lamblia CAMP-dependent protein kinase regulatory chain 0.0045 0.0204 1
Mycobacterium ulcerans hypothetical protein 0.0045 0.0204 0.4872
Trypanosoma cruzi Flagellar Member 6 0.0045 0.0204 1
Loa Loa (eye worm) hypothetical protein 0.0068 0.0407 0.7376
Trypanosoma brucei cyclic nucleotide-binding domain containing protein, putative 0.0045 0.0204 1
Loa Loa (eye worm) AGC/PKG protein kinase 0.0045 0.0204 0.3693
Leishmania major protein kinase, putative 0.0045 0.0204 0.4872
Trypanosoma brucei cAMP binding protein, putative 0.0045 0.0204 1
Brugia malayi 3-hydroxyacyl-CoA dehydrogenase type II 0.0069 0.0419 0.7581
Trichomonas vaginalis cAMP-dependent protein kinase type I-beta regulatory subunit, putative 0.0045 0.0204 0.0507
Echinococcus granulosus cyclic nucleotide gated cation channel 0.0045 0.0204 0.0204
Trichomonas vaginalis cAMP-dependent protein kinase regulatory subunit, putative 0.0045 0.0204 0.0507
Echinococcus granulosus potassium voltage gated channel subfamily H 0.0068 0.0407 0.0407
Trichomonas vaginalis conserved hypothetical protein 0.0033 0.0096 0.0239
Entamoeba histolytica exodeoxyribonuclease III, putative 0.0023 0 0.5
Mycobacterium ulcerans transcriptional regulatory protein 0.0045 0.0204 0.4872
Leishmania major hypothetical protein, unknown function 0.0045 0.0204 0.4872
Echinococcus granulosus cAMP dependent protein kinase type I beta 0.0045 0.0204 0.0204
Brugia malayi cAMP-dependent protein kinase regulatory chain, putative 0.0045 0.0204 0.3693
Trichomonas vaginalis voltage and ligand gated potassium channel, putative 0.047 0.402 1
Chlamydia trachomatis cAMP-dependent protein kinase regulatory subunit 0.0045 0.0204 0.5
Toxoplasma gondii cyclic nucleotide-binding domain-containing protein 0.0045 0.0204 1
Echinococcus multilocularis expressed conserved protein 0.0045 0.0204 0.0204
Leishmania major cyclic nucleotide-binding protein-like protein 0.0045 0.0204 0.4872
Trichomonas vaginalis voltage and ligand gated potassium channel, putative 0.0045 0.0204 0.0507
Trichomonas vaginalis voltage and ligand gated potassium channel, putative 0.0045 0.0204 0.0507
Loa Loa (eye worm) hypothetical protein 0.0068 0.0407 0.7376
Trichomonas vaginalis conserved hypothetical protein 0.0047 0.022 0.0547
Trypanosoma cruzi PAB1-binding protein , putative 0.003 0.0069 0.3407
Mycobacterium tuberculosis Conserved protein 0.0045 0.0204 0.4872
Mycobacterium tuberculosis Probable glutamine-transport ATP-binding protein ABC transporter GlnQ 0.0045 0.0204 0.4872
Loa Loa (eye worm) hypothetical protein 0.0045 0.0204 0.3693
Schistosoma mansoni voltage-gated potassium channel 0.0068 0.0407 0.0407
Leishmania major hypothetical protein, conserved 0.0045 0.0204 0.4872
Treponema pallidum cyclic nucleotide binding protein 0.0045 0.0204 1
Echinococcus granulosus cyclic nucleotide gated cation channel 0.0068 0.0407 0.0407
Onchocerca volvulus Heterochromatin protein 1 homolog 0.0051 0.0252 1
Echinococcus multilocularis potassium voltage gated channel subfamily H 0.0068 0.0407 0.0407
Wolbachia endosymbiont of Brugia malayi exonuclease III 0.0023 0 0.5
Echinococcus multilocularis cAMP dependent protein kinase type II regulatory 0.0045 0.0204 0.0204
Echinococcus multilocularis hyperpolarization activated cyclic 0.1135 1 1
Brugia malayi Heterochromatin protein 1 0.0084 0.0552 1
Onchocerca volvulus 0.0045 0.0204 0.6117
Plasmodium vivax rap guanine nucleotide exchange factor, putative 0.0045 0.0204 1
Brugia malayi Voltage-gated potassium channel, HERG (KCNH2)-related. C. elegans unc-103 ortholog 0.0068 0.0407 0.7376
Trypanosoma brucei cyclic nucleotide-binding domain containing protein, putative 0.0045 0.0204 1
Trichomonas vaginalis voltage and ligand gated potassium channel, putative 0.0068 0.0407 0.1013
Mycobacterium ulcerans regulatory protein 0.0045 0.0204 0.4872
Trichomonas vaginalis chromobox protein, putative 0.0084 0.0552 0.1373
Leishmania major protein kinase, putative 0.0045 0.0204 0.4872
Schistosoma mansoni similar to Protein C20orf152 homolog 0.0045 0.0204 0.0204
Mycobacterium tuberculosis Probable short-chain type dehydrogenase/reductase 0.0069 0.0419 1
Plasmodium vivax ataxin-2 like protein, putative 0.003 0.0069 0.3407
Loa Loa (eye worm) hypothetical protein 0.0045 0.0204 0.3693
Trypanosoma brucei protein kinase A regulatory subunit 0.0045 0.0204 1
Echinococcus granulosus cyclic nucleotide gated cation channel 0.0068 0.0407 0.0407
Brugia malayi chromobox protein homolog 3 0.0047 0.022 0.3981
Schistosoma mansoni serine/threonine protein kinase 0.0045 0.0204 0.0204
Plasmodium falciparum cAMP-dependent protein kinase regulatory subunit 0.0045 0.0204 1
Trypanosoma cruzi cAMP response protein 1, putative 0.0045 0.0204 1
Trichomonas vaginalis chromobox protein, putative 0.0051 0.0252 0.0627
Onchocerca volvulus Heterochromatin protein 1 homolog 0.0047 0.022 0.7399
Trichomonas vaginalis conserved hypothetical protein 0.0033 0.0096 0.0239
Loa Loa (eye worm) cAMP-dependent protein kinase regulatory subunit 0.0045 0.0204 0.3693
Mycobacterium tuberculosis Probable conserved transmembrane protein 0.0045 0.0204 0.4872
Echinococcus multilocularis cAMP dependent protein kinase type I beta 0.0045 0.0204 0.0204
Schistosoma mansoni cyclic-nucleotide-gated cation channel 0.0068 0.0407 0.0407
Toxoplasma gondii protein kinase G AGC kinase family member PKG 0.0045 0.0204 1
Schistosoma mansoni neuropathy target esterase/swiss cheese-related protein 0.0045 0.0204 0.0204

Activities

Activity type Activity value Assay description Source Reference
Potency (functional) 0.0032 uM PubChem BioAssay. qHTS Assay for Inhibitors of the Human Apurinic/apyrimidinic Endonuclease 1 (APE1). (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 0.1 uM PubChem BioAssay. qHTS for Inhibitors of ATXN expression. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 1.4716 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) = 10 um PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of HADH2 (Hydroxyacyl-Coenzyme A Dehydrogenase, Type II). (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 11.2202 uM PubChem BioAssay. qHTS for Agonist of gsp, the Etiologic Mutation Responsible for Fibrous Dysplasia/McCune-Albright Syndrome: qHTS. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 19.9526 uM PUBCHEM_BIOASSAY: HTS for Inhibitors of HP1-beta Chromodomain Interactions with Methylated Histone Tails. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID488962] ChEMBL. No reference
Potency (functional) = 25.1189 um PUBCHEM_BIOASSAY: qHTS Assay for the Inhibitors of Schistosoma Mansoni Peroxiredoxins. (Class of assay: confirmatory) [Related pubchem assays: 1011 (Confirmation Concentration-Response Assay for Inhibitors of the Schistosoma mansoni Redox Cascade ), 448 (Schistosoma Mansoni Peroxiredoxins (Prx2) and thioredoxin glutathione reductase (TGR) coupled assay)] ChEMBL. No reference
Potency (functional) 25.1189 uM PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of Histone Lysine Methyltransferase G9a. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID504404] ChEMBL. No reference
Potency (functional) 31.6228 uM PubChem BioAssay. qHTS of Trypanosoma Brucei Inhibitors. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 32.6427 uM PUBCHEM_BIOASSAY: qHTS screen for small molecules that inhibit ELG1-dependent DNA repair in human embryonic kidney (HEK293T) cells expressing luciferase-tagged ELG1. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID493107, AID493125] ChEMBL. No reference
Potency (functional) 50.1187 uM PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of Mammalian Selenoprotein Thioredoxin Reductase 1 (TrxR1): qHTS. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID488771] ChEMBL. No reference
Potency (functional) 112.2018 uM PUBCHEM_BIOASSAY: qHTS for Inhibitors of Polymerase Iota. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID588623] 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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