Detailed information for compound 1375013

Basic information

Technical information
  • TDR Targets ID: 1375013
  • Name: N-cycloheptyl-2-[1-[(5-methylfuran-2-yl)methy l]-3-oxopiperazin-2-yl]acetamide
  • MW: 347.452 | Formula: C19H29N3O3
  • H donors: 2 H acceptors: 2 LogP: 2.01 Rotable bonds: 6
    Rule of 5 violations (Lipinski): 1
  • SMILES: O=C(CC1C(=O)NCCN1Cc1ccc(o1)C)NC1CCCCCC1
  • InChi: 1S/C19H29N3O3/c1-14-8-9-16(25-14)13-22-11-10-20-19(24)17(22)12-18(23)21-15-6-4-2-3-5-7-15/h8-9,15,17H,2-7,10-13H2,1H3,(H,20,24)(H,21,23)
  • InChiKey: DFXOOCHGQILSSU-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

  • N-cycloheptyl-2-[1-[(5-methyl-2-furyl)methyl]-3-oxo-piperazin-2-yl]acetamide
  • N-cycloheptyl-2-[1-[(5-methyl-2-furyl)methyl]-3-oxo-2-piperazinyl]acetamide
  • N-cycloheptyl-2-[3-keto-1-[(5-methyl-2-furyl)methyl]piperazin-2-yl]acetamide
  • N-cycloheptyl-2-[1-[(5-methylfuran-2-yl)methyl]-3-oxo-piperazin-2-yl]ethanamide
  • N-cycloheptyl-2-{1-[(5-methyl-2-furyl)methyl]-3-oxopiperazin-2-yl}acetamide
  • SMR000317605
  • MLS000731844

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

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Brugia malayi exodeoxyribonuclease III family 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
Plasmodium berghei AP endonuclease (DNA-[apurinic or apyrimidinic site] lyase), putative 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
Candida albicans similar to S. cerevisiae APN2 (YBL019W) DNA repair apurinic/apyrimidinic endonuclease 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
Wolbachia endosymbiont of Brugia malayi exonuclease III 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
Leishmania major apurinic/apyrimidinic endonuclease-redox protein 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
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 mansoni ap endonuclease 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
Trichomonas vaginalis ap endonuclease, putative 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 parvum conserved hypothetical protein 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
Trypanosoma cruzi apurinic/apyrimidinic endonuclease 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
Schistosoma japonicum DNA-(apurinic or apyrimidinic site) lyase 2, 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
Schistosoma japonicum ko:K10771 AP endonuclease 1, putative 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
Treponema pallidum exodeoxyribonuclease (exoA) 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
Theileria parva hypothetical 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
Candida albicans similar to S. cerevisiae APN2 (YBL019W) DNA repair 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
Cryptosporidium hominis dna-(apurinic or apyrimidinic site) lyase 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
Leishmania braziliensis apurinic/apyrimidinic endonuclease-redox 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
Plasmodium yoelii putative AP endonuclease-related 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
Echinococcus multilocularis DNA (apurinic or apyrimidinic site) lyase 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
Leishmania donovani apurinic/apyrimidinic endonuclease-redox protein 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
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
Trichomonas vaginalis heat shock protein, putative 0.0045 0.2193 0.4042
Trypanosoma brucei DNA polymerase kappa, putative 0.0013 0.0208 0.0059
Mycobacterium tuberculosis Probable oxidoreductase 0.0118 0.6717 1
Trypanosoma cruzi DNA polymerase eta, putative 0.0019 0.0573 0.0793
Echinococcus multilocularis Basic leucine zipper (bZIP) transcription 0.0035 0.1592 0.1634
Trypanosoma brucei DNA polymerase eta, putative 0.0019 0.0573 0.0793
Loa Loa (eye worm) exodeoxyribonuclease III family protein 0.0023 0.0802 0.093
Plasmodium vivax endoplasmin, putative 0.0045 0.2193 0.188
Loa Loa (eye worm) hypothetical protein 0.0049 0.2439 0.2829
Trypanosoma brucei heat shock protein, putative 0.0045 0.2193 0.4042
Trypanosoma cruzi DNA polymerase kappa, putative 0.0019 0.0573 0.0793
Leishmania major trypanothione reductase 0.0047 0.2282 0.4221
Toxoplasma gondii Hsp90 domain-containing protein 0.0171 1 1
Trypanosoma brucei DNA polymerase IV, putative 0.0019 0.0573 0.0793
Trypanosoma brucei DNA polymerase kappa, putative 0.0013 0.0208 0.0059
Plasmodium vivax dihydrolipoyl dehydrogenase, mitochondrial, putative 0.0016 0.0395 0.001
Toxoplasma gondii heat shock protein 90, putative 0.0045 0.2193 0.2193
Trypanosoma brucei polo-like protein kinase 0.0093 0.5163 1
Echinococcus multilocularis heat shock protein 90 0.0039 0.1789 0.1836
Echinococcus granulosus DNA apurinic or apyrimidinic site lyase 0.0023 0.0802 0.0823
Loa Loa (eye worm) transcription factor SMAD2 0.0118 0.6686 0.7753
Leishmania major heat shock protein 83-1 0.0045 0.2193 0.4042
Wolbachia endosymbiont of Brugia malayi heat shock protein 90 0.0042 0.2021 1
Loa Loa (eye worm) latrophilin receptor protein 2 0.0016 0.0358 0.0415
Mycobacterium tuberculosis Probable membrane NADH dehydrogenase NdhA 0.0106 0.5982 0.8837
Brugia malayi Pyridine nucleotide-disulphide oxidoreductase, dimerisation domain containing protein 0.0012 0.013 0.0151
Trypanosoma brucei DNA polymerase kappa, putative 0.0019 0.0573 0.0793
Trypanosoma brucei DNA polymerase kappa, putative 0.0019 0.0573 0.0793
Trypanosoma cruzi dihydrolipoamide dehydrogenase, putative 0.0016 0.0395 0.0436
Trypanosoma cruzi heat shock protein, putative 0.003 0.1254 0.2158
Loa Loa (eye worm) hypothetical protein 0.0016 0.0358 0.0415
Mycobacterium tuberculosis Putative ferredoxin reductase 0.0106 0.5982 0.8837
Trypanosoma cruzi DNA polymerase kappa, putative 0.0019 0.0573 0.0793
Trichomonas vaginalis ap endonuclease, putative 0.0023 0.0802 0.1251
Toxoplasma gondii pyruvate dehydrogenase complex subunit PDH-E3II 0.0016 0.0395 0.0395
Echinococcus granulosus Basic leucine zipper bZIP transcription 0.0035 0.1592 0.1634
Trichomonas vaginalis glutathione reductase, putative 0.0016 0.0395 0.0436
Echinococcus granulosus Ataxin 2 N terminaldomain containing protein 0.0011 0.0085 0.0087
Brugia malayi exodeoxyribonuclease III family protein 0.0023 0.0802 0.093
Plasmodium falciparum ADP-dependent DNA helicase RecQ 0.0021 0.0683 0.0683
Plasmodium vivax heat shock protein 90, putative 0.003 0.1254 0.0903
Brugia malayi Hsp90 protein 0.003 0.1254 0.1454
Onchocerca volvulus 0.0149 0.8623 1
Trypanosoma brucei heat shock protein, putative 0.0045 0.2193 0.4042
Brugia malayi Calcitonin receptor-like protein seb-1 0.0049 0.2439 0.2829
Loa Loa (eye worm) hypothetical protein 0.0119 0.6774 0.7856
Plasmodium falciparum dihydrolipoyl dehydrogenase, apicoplast 0.0016 0.0395 0.0395
Trypanosoma cruzi dihydrolipoamide dehydrogenase, putative 0.0016 0.0395 0.0436
Trypanosoma brucei DNA polymerase kappa, putative 0.0019 0.0573 0.0793
Giardia lamblia DINP protein human, muc B family 0.0019 0.0573 0.111
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.0049 0.2439 0.2829
Brugia malayi Endoplasmin precursor 0.0045 0.2193 0.2543
Echinococcus multilocularis dna polymerase eta 0.0019 0.0573 0.0589
Entamoeba histolytica heat shock protein 90, putative 0.0045 0.2193 0.4042
Leishmania major heat shock protein 83-1 0.0045 0.2193 0.4042
Brugia malayi hypothetical protein 0.0025 0.0934 0.1083
Loa Loa (eye worm) glutathione reductase 0.0047 0.2282 0.2647
Plasmodium falciparum glutathione reductase 0.0047 0.2282 0.2282
Giardia lamblia Heat shock protein HSP 90-alpha 0.0045 0.2193 0.4247
Trypanosoma cruzi dihydrolipoamide dehydrogenase, putative 0.0016 0.0395 0.0436
Mycobacterium tuberculosis Probable chaperone protein HtpG (heat shock protein) (HSP90 family protein) (high temperature protein G) 0.0042 0.2021 0.2572
Schistosoma mansoni heat shock protein 0.0045 0.2193 0.2251
Plasmodium vivax dihydrolipoyl dehydrogenase, apicoplast, putative 0.0016 0.0395 0.001
Brugia malayi hypothetical protein 0.0016 0.0389 0.0451
Leishmania major heat shock protein 83-1 0.0045 0.2193 0.4042
Trypanosoma brucei Heat shock protein 83, putative 0.0045 0.2193 0.4042
Mycobacterium tuberculosis Possible DNA-damage-inducible protein P DinP (DNA polymerase V) (pol IV 2) (DNA nucleotidyltransferase (DNA-directed)) 0.0019 0.0573 0.0281
Schistosoma mansoni hypothetical protein 0.0035 0.1592 0.1634
Leishmania major heat shock protein 83-1 0.0045 0.2193 0.4042
Trichomonas vaginalis DNA polymerase eta, putative 0.0019 0.0573 0.0793
Echinococcus granulosus endoplasmin 0.0042 0.2021 0.2074
Trichomonas vaginalis CAMK family protein kinase 0.0093 0.5163 1
Toxoplasma gondii exonuclease III APE 0.0023 0.0802 0.0802
Plasmodium vivax AP endonuclease (DNA-[apurinic or apyrimidinic site] lyase), putative 0.0023 0.0802 0.0432
Schistosoma mansoni hypothetical protein 0.0016 0.0358 0.0368
Trypanosoma cruzi dihydrolipoamide dehydrogenase, putative 0.0016 0.0395 0.0436
Loa Loa (eye worm) hypothetical protein 0.0025 0.0934 0.1083
Echinococcus granulosus cadherin EGF LAG seven pass G type receptor 0.0016 0.0358 0.0368
Brugia malayi Thioredoxin reductase 0.0047 0.2282 0.2647
Trypanosoma brucei DNA polymerase kappa, putative 0.0019 0.0573 0.0793
Trypanosoma cruzi heat shock protein 90, putative 0.0019 0.0566 0.0779
Schistosoma mansoni heat shock protein 0.0045 0.2193 0.2251
Brugia malayi alpha keto acid dehydrogenase complex, E3 component, lipoamide dehydrogenase 0.0012 0.013 0.0151
Trichomonas vaginalis endoplasmin, putative 0.0033 0.1426 0.2503
Schistosoma mansoni blooms syndrome DNA helicase 0.0019 0.0552 0.0567
Trypanosoma cruzi heat shock protein 85, putative 0.0045 0.2193 0.4042
Echinococcus multilocularis DNA (apurinic or apyrimidinic site) lyase 0.0023 0.0802 0.0823
Echinococcus multilocularis serine:threonine protein kinase PLK1 0.0093 0.5163 0.53
Plasmodium vivax heat shock protein 86, putative 0.0045 0.2193 0.188
Echinococcus granulosus dna polymerase eta 0.0019 0.0573 0.0589
Echinococcus granulosus dihydrolipoamide dehydrogenase 0.0016 0.0395 0.0406
Echinococcus multilocularis heat shock protein 75 kDa, mitochondrial 0.003 0.1254 0.1287
Mycobacterium tuberculosis NADPH-dependent mycothiol reductase Mtr 0.0047 0.2282 0.2985
Leishmania major heat shock protein 83-1 0.0045 0.2193 0.4042
Plasmodium vivax ataxin-2 like protein, putative 0.0025 0.0934 0.057
Plasmodium falciparum thioredoxin reductase 0.0016 0.0395 0.0395
Mycobacterium tuberculosis Dihydrolipoamide dehydrogenase LpdC (lipoamide reductase (NADH)) (lipoyl dehydrogenase) (dihydrolipoyl dehydrogenase) (diaphoras 0.0118 0.6717 1
Brugia malayi calcium-independent alpha-latrotoxin receptor 2, putative 0.0016 0.0358 0.0415
Trypanosoma cruzi polo-like protein kinase, putative 0.0093 0.5163 1
Trichomonas vaginalis heat shock protein, putative 0.0042 0.2021 0.3697
Entamoeba histolytica hypothetical protein 0.0035 0.1592 0.2836
Brugia malayi glutathione reductase 0.0047 0.2282 0.2647
Trypanosoma cruzi trypanothione reductase, putative 0.0016 0.0395 0.0436
Mycobacterium ulcerans DNA polymerase IV 0.0019 0.0573 0.1094
Trypanosoma brucei unspecified product 0.0013 0.0208 0.0059
Brugia malayi ImpB/MucB/SamB family protein 0.0019 0.0573 0.0665
Trichomonas vaginalis CAMK family protein kinase 0.0093 0.5163 1
Loa Loa (eye worm) MH2 domain-containing protein 0.0118 0.6686 0.7753
Schistosoma mansoni ap endonuclease 0.0023 0.0802 0.0823
Schistosoma mansoni heat shock protein 0.003 0.1254 0.1287
Mycobacterium leprae PROBABLE NADH DEHYDROGENASE NDH 0.0106 0.5982 0.8435
Echinococcus multilocularis geminin 0.0167 0.9743 1
Echinococcus granulosus thioredoxin glutathione reductase 0.0047 0.2282 0.2343
Trypanosoma brucei DNA polymerase kappa, putative 0.0019 0.0573 0.0793
Echinococcus granulosus heat shock protein heat shock protein 90 alpha 0.0039 0.1789 0.1836
Echinococcus granulosus terminal deoxycytidyl transferase rev1 0.0019 0.0573 0.0589
Echinococcus granulosus heat shock protein 90 0.0039 0.1789 0.1836
Loa Loa (eye worm) hypothetical protein 0.0034 0.1476 0.1712
Trypanosoma cruzi heat shock protein 85, putative 0.0045 0.2193 0.4042
Schistosoma mansoni ap endonuclease 0.0023 0.0802 0.0823
Echinococcus granulosus dna polymerase kappa 0.0019 0.0573 0.0589
Trypanosoma cruzi dihydrolipoamide dehydrogenase, putative 0.0016 0.0395 0.0436
Brugia malayi Latrophilin receptor protein 2 0.0016 0.0358 0.0415
Schistosoma mansoni DNA polymerase eta 0.0019 0.0573 0.0589
Leishmania major heat shock protein 83-1 0.0045 0.2193 0.4042
Schistosoma mansoni endoplasmin 0.0045 0.2193 0.2251
Toxoplasma gondii heat shock protein HSP90 0.0045 0.2193 0.2193
Brugia malayi serine/threonine-protein kinase plk-2 0.0093 0.5163 0.5988
Trypanosoma brucei DNA polymerase kappa, putative 0.0019 0.0573 0.0793
Schistosoma mansoni hypothetical protein 0.0011 0.0085 0.0087
Trichomonas vaginalis heat shock protein, putative 0.0042 0.2021 0.3697
Leishmania major heat shock protein 83-1 0.0045 0.2193 0.4042
Trypanosoma brucei heat shock protein 90, putative 0.0045 0.2193 0.4042
Trichomonas vaginalis DNA polymerase IV / kappa, putative 0.0019 0.0573 0.0793
Plasmodium vivax glutathione reductase, putative 0.0047 0.2282 0.1973
Echinococcus multilocularis GPCR, family 2 0.0016 0.0358 0.0368
Trichomonas vaginalis DNA helicase recq1, putative 0.0024 0.0861 0.137
Loa Loa (eye worm) PLK/PLK1 protein kinase 0.0093 0.5163 0.5988
Leishmania major heat shock protein, putative 0.003 0.1254 0.2158
Trypanosoma brucei DNA polymerase kappa, putative 0.0019 0.0573 0.0793
Trichomonas vaginalis mercuric reductase, putative 0.0016 0.0395 0.0436
Trypanosoma brucei heat shock protein 90, putative 0.0045 0.2193 0.4042
Mycobacterium tuberculosis Conserved hypothetical protein 0.0019 0.0573 0.0281
Trypanosoma brucei PAB1-binding protein , putative 0.0025 0.0934 0.1517
Schistosoma mansoni transcription factor LCR-F1 0.0035 0.1592 0.1634
Mycobacterium tuberculosis NAD(P)H quinone reductase LpdA 0.0118 0.6717 1
Entamoeba histolytica exodeoxyribonuclease III, putative 0.0023 0.0802 0.1251
Leishmania major heat shock protein 83-1 0.0045 0.2193 0.4042
Leishmania major DNA polymerase kappa, putative,DNA polymerase IV, putative 0.0019 0.0573 0.0793
Brugia malayi latrophilin 2 splice variant baaae 0.0034 0.1476 0.1712
Trypanosoma brucei dihydrolipoamide dehydrogenase, point mutation 0.0016 0.0395 0.0436
Loa Loa (eye worm) heat shock protein 75 0.003 0.1254 0.1454
Schistosoma mansoni hypothetical protein 0.0034 0.1476 0.1515
Trypanosoma cruzi trypanothione reductase, putative 0.0047 0.2282 0.4221
Trypanosoma brucei DNA polymerase kappa, putative 0.0019 0.0573 0.0793
Loa Loa (eye worm) hypothetical protein 0.0149 0.8623 1
Mycobacterium tuberculosis Probable NADH dehydrogenase Ndh 0.0106 0.5982 0.8837
Plasmodium vivax thioredoxin reductase, putative 0.0047 0.2282 0.1973
Trypanosoma cruzi dihydrolipoamide dehydrogenase, putative 0.0016 0.0395 0.0436
Brugia malayi hypothetical protein 0.0149 0.8623 1
Trypanosoma brucei heat shock protein, putative 0.0045 0.2193 0.4042
Trypanosoma brucei apurinic/apyrimidinic endonuclease, putative 0.0023 0.0802 0.1251
Trypanosoma brucei DNA polymerase kappa, putative 0.0019 0.0573 0.0793
Loa Loa (eye worm) thioredoxin reductase 0.0047 0.2282 0.2647
Toxoplasma gondii heat shock protein 75, putative 0.003 0.1254 0.1254
Leishmania major DNA polymerase eta, putative 0.0019 0.0573 0.0793
Trypanosoma brucei heat shock protein, putative 0.0045 0.2193 0.4042
Loa Loa (eye worm) ImpB/MucB/SamB family protein 0.0019 0.0573 0.0665
Trypanosoma cruzi heat shock protein 85, putative 0.0045 0.2193 0.4042
Loa Loa (eye worm) pigment dispersing factor receptor c 0.0049 0.2439 0.2829
Schistosoma mansoni dihydrolipoamide dehydrogenase 0.0016 0.0395 0.0406
Plasmodium falciparum thioredoxin reductase 0.0047 0.2282 0.2282
Mycobacterium ulcerans DNA polymerase IV 0.0019 0.0573 0.1094
Schistosoma mansoni hypothetical protein 0.0016 0.0358 0.0368
Trichomonas vaginalis CAMK family protein kinase 0.0093 0.5163 1
Plasmodium falciparum ataxin-2 like protein, putative 0.0025 0.0934 0.0934
Leishmania major dihydrolipoamide dehydrogenase, putative 0.0016 0.0395 0.0436
Schistosoma mansoni kinase 0.0047 0.2327 0.2388
Toxoplasma gondii ATP-dependent DNA helicase, RecQ family protein 0.0016 0.0374 0.0374
Trichomonas vaginalis CAMK family protein kinase 0.0093 0.5163 1
Mycobacterium ulcerans heat shock protein 90 0.0042 0.2021 1
Echinococcus multilocularis Ataxin 2, N terminal,domain containing protein 0.0011 0.0085 0.0087
Schistosoma mansoni endoplasmin 0.0045 0.2193 0.2251
Trypanosoma cruzi DNA polymerase kappa, putative 0.0019 0.0573 0.0793
Schistosoma mansoni hypothetical protein 0.0167 0.9743 1
Loa Loa (eye worm) hypothetical protein 0.0019 0.0573 0.0665
Trichomonas vaginalis CAMK family protein kinase 0.0046 0.225 0.4157
Trichomonas vaginalis CAMK family protein kinase 0.0093 0.5163 1
Leishmania major acetoin dehydrogenase e3 component-like protein 0.0016 0.0395 0.0436
Leishmania major heat shock protein 83-1 0.0045 0.2193 0.4042
Trypanosoma brucei heat shock protein, putative 0.0045 0.2193 0.4042
Plasmodium falciparum dihydrolipoyl dehydrogenase, mitochondrial 0.0016 0.0395 0.0395
Trypanosoma brucei dihydrolipoyl dehydrogenase 0.0016 0.0395 0.0436
Mycobacterium tuberculosis Probable exodeoxyribonuclease III protein XthA (exonuclease III) (EXO III) (AP endonuclease VI) 0.0023 0.0802 0.0643
Trypanosoma brucei heat shock protein, putative 0.0045 0.2193 0.4042
Leishmania major heat shock protein 83-1 0.0045 0.2193 0.4042
Plasmodium falciparum endoplasmin, putative 0.0033 0.1426 0.1426
Trypanosoma brucei DNA polymerase IV, putative 0.0019 0.0573 0.0793
Trichomonas vaginalis CAMK family protein kinase 0.0093 0.5163 1
Echinococcus granulosus GPCR family 2 0.0016 0.0358 0.0368
Echinococcus multilocularis heat shock protein 0.0045 0.2193 0.2251
Trypanosoma brucei unspecified product 0.0019 0.0573 0.0793
Entamoeba histolytica hypothetical protein 0.0035 0.1592 0.2836
Giardia lamblia Kinase, PLK 0.0093 0.5163 1
Trypanosoma cruzi PAB1-binding protein , putative 0.0025 0.0934 0.1517
Echinococcus multilocularis thioredoxin glutathione reductase 0.0047 0.2282 0.2343
Schistosoma mansoni hypothetical protein 0.0016 0.0358 0.0368
Plasmodium falciparum heat shock protein 90, putative 0.0026 0.1021 0.1021
Toxoplasma gondii NADPH-glutathione reductase 0.0016 0.0395 0.0395
Entamoeba histolytica heat shock protein 90, putative 0.0045 0.2193 0.4042
Brugia malayi hypothetical protein 0.0035 0.1592 0.1846
Echinococcus granulosus bloom syndrome protein 0.0024 0.0861 0.0884
Trypanosoma cruzi dihydrolipoyl dehydrogenase, putative 0.0016 0.0395 0.0436
Echinococcus granulosus heat shock protein 75 kDa mitochondrial 0.003 0.1254 0.1287
Trichomonas vaginalis heat shock protein, putative 0.0033 0.1426 0.2503
Brugia malayi dihydrolipoyl dehydrogenase, mitochondrial precursor, putative 0.0016 0.0395 0.0459
Trypanosoma brucei heat shock protein, putative 0.0045 0.2193 0.4042
Leishmania major heat shock protein 83-1 0.0045 0.2193 0.4042
Leishmania major heat shock protein 83-1 0.0045 0.2193 0.4042
Mycobacterium ulcerans exodeoxyribonuclease III protein XthA 0.0023 0.0802 0.2499
Toxoplasma gondii thioredoxin reductase 0.0047 0.2282 0.2282
Entamoeba histolytica hypothetical protein 0.0035 0.1592 0.2836
Wolbachia endosymbiont of Brugia malayi exonuclease III 0.0023 0.0802 0.2499
Schistosoma mansoni hypothetical protein 0.0167 0.9743 1
Trypanosoma brucei DNA polymerase kappa, putative 0.0019 0.0573 0.0793
Plasmodium falciparum heat shock protein 90 0.0045 0.2193 0.2193
Treponema pallidum exodeoxyribonuclease (exoA) 0.0023 0.0802 0.2499
Mycobacterium leprae DIHYDROLIPOAMIDE DEHYDROGENASE LPD (LIPOAMIDE REDUCTASE (NADH)) (LIPOYL DEHYDROGENASE) (DIHYDROLIPOYL DEHYDROGENASE) (DIAPHORASE 0.0118 0.6717 1
Brugia malayi MH2 domain containing protein 0.0118 0.6686 0.7753
Onchocerca volvulus Serine\/threonine kinase homolog 0.0093 0.5163 0.5305
Echinococcus granulosus heat shock protein 0.0045 0.2193 0.2251
Trypanosoma cruzi apurinic/apyrimidinic endonuclease 0.0023 0.0802 0.1251
Trypanosoma brucei heat shock protein 84, putative 0.003 0.1254 0.2158
Trypanosoma brucei DNA polymerase IV, putative 0.0019 0.0573 0.0793
Entamoeba histolytica 90 kDa heat shock protein, putative 0.003 0.1254 0.2158
Mycobacterium tuberculosis Probable nitrite reductase [NAD(P)H] large subunit [FAD flavoprotein] NirB 0.0106 0.5982 0.8837
Trypanosoma cruzi heat shock protein 90, putative 0.0039 0.1789 0.3231
Leishmania major hypothetical protein, conserved 0.0025 0.0934 0.1517
Echinococcus granulosus geminin 0.0167 0.9743 1
Plasmodium falciparum ataxin-2 like protein, putative 0.0025 0.0934 0.0934
Echinococcus granulosus heat shock protein 90 0.0045 0.2193 0.2251
Loa Loa (eye worm) RecQ helicase 0.0024 0.0861 0.0998
Trypanosoma brucei heat shock protein, putative 0.0045 0.2193 0.4042
Trichomonas vaginalis DNA helicase recq, putative 0.0024 0.0861 0.137
Trypanosoma brucei dihydrolipoamide dehydrogenase 0.0016 0.0395 0.0436
Trichomonas vaginalis heat shock protein, putative 0.0026 0.1021 0.1692
Echinococcus multilocularis bloom syndrome protein 0.0024 0.0861 0.0884
Trichomonas vaginalis ap endonuclease, putative 0.0023 0.0802 0.1251
Giardia lamblia Grp94/Hsp90 0.0042 0.2021 0.3914
Echinococcus multilocularis endoplasmin 0.0042 0.2021 0.2074
Trypanosoma brucei unspecified product 0.0013 0.0208 0.0059
Entamoeba histolytica serine/threonine protein kinase, putative 0.0093 0.5163 1
Echinococcus multilocularis heat shock protein 90 0.0045 0.2193 0.2251
Trypanosoma brucei trypanothione reductase 0.0047 0.2282 0.4221
Loa Loa (eye worm) endoplasmin 0.0045 0.2193 0.2543
Schistosoma mansoni hypothetical protein 0.0016 0.0358 0.0368
Treponema pallidum heat shock protein 90 0.0042 0.2021 1
Plasmodium falciparum glutathione reductase 0.0016 0.0395 0.0395
Chlamydia trachomatis dihydrolipoyl dehydrogenase 0.0016 0.0395 0.5
Loa Loa (eye worm) heat shock protein 90 0.0045 0.2193 0.2543
Leishmania major DNA polymerase kappa, putative 0.0019 0.0573 0.0793
Echinococcus multilocularis terminal deoxycytidyl transferase rev1 0.0019 0.0573 0.0589
Trypanosoma cruzi Heat shock protein 83, putative 0.0045 0.2193 0.4042
Leishmania major lipophosphoglycan biosynthetic protein, putative,heat shock protein 90, putative,glucose regulated protein 94, putative 0.0042 0.2021 0.3697
Trypanosoma cruzi polo-like protein kinase, putative 0.0093 0.5163 1
Echinococcus granulosus serine:threonine protein kinase PLK1 0.0093 0.5163 0.53
Brugia malayi heat shock protein 90 0.0045 0.2193 0.2543
Trichomonas vaginalis CAMK family protein kinase 0.0046 0.225 0.4157
Echinococcus granulosus diuretic hormone 44 receptor GPRdih2 0.0016 0.0358 0.0368
Trichomonas vaginalis heat shock protein, putative 0.0039 0.1789 0.3231
Trypanosoma brucei DNA polymerase kappa, putative 0.0013 0.0208 0.0059
Trypanosoma cruzi PAB1-binding protein , putative 0.0025 0.0934 0.1517
Echinococcus multilocularis diuretic hormone 44 receptor GPRdih2 0.0016 0.0358 0.0368
Trypanosoma cruzi heat shock protein 90, putative 0.0045 0.2193 0.4042
Toxoplasma gondii LsmAD domain-containing protein 0.0025 0.0934 0.0934
Trichomonas vaginalis CAMK family protein kinase 0.0093 0.5163 1
Leishmania major heat shock protein 83-1 0.0045 0.2193 0.4042
Schistosoma mansoni serine/threonine protein kinase 0.0093 0.5163 0.53
Giardia lamblia Endonuclease/Exonuclease/phosphatase 0.0023 0.0802 0.1553
Echinococcus multilocularis dihydrolipoamide dehydrogenase 0.0016 0.0395 0.0406
Brugia malayi Bloom's syndrome protein homolog 0.0024 0.0861 0.0998
Leishmania major dihydrolipoamide dehydrogenase, putative 0.0016 0.0395 0.0436
Echinococcus multilocularis dna polymerase kappa 0.0019 0.0573 0.0589
Schistosoma mansoni rab geranylgeranyl transferase alpha subunit 0.0019 0.0573 0.0589
Mycobacterium tuberculosis Probable reductase 0.0106 0.5982 0.8837
Leishmania major apurinic/apyrimidinic endonuclease-redox protein 0.0023 0.0802 0.1251
Plasmodium vivax heat shock protein, putative 0.0171 1 1
Leishmania major heat shock protein 83-1 0.0045 0.2193 0.4042
Echinococcus multilocularis cadherin EGF LAG seven pass G type receptor 0.0016 0.0358 0.0368
Entamoeba histolytica deoxycytidyl transferase, putative 0.0019 0.0573 0.0793
Brugia malayi ImpB/MucB/SamB family protein 0.0019 0.0573 0.0665
Leishmania major 2-oxoglutarate dehydrogenase, e3 component, lipoamidedehydrogenase-like protein 0.0016 0.0395 0.0436
Entamoeba histolytica hypothetical protein 0.0035 0.1592 0.2836
Trypanosoma cruzi dihydrolipoyl dehydrogenase, putative 0.0016 0.0395 0.0436
Trypanosoma cruzi heat shock protein 85, putative 0.0039 0.1789 0.3231
Trypanosoma cruzi apurinic/apyrimidinic endonuclease, putative 0.0023 0.0802 0.1251
Leishmania major heat shock protein 83-1 0.0045 0.2193 0.4042
Giardia lamblia NADH oxidase lateral transfer candidate 0.0016 0.0395 0.0766
Trypanosoma cruzi DNA polymerase kappa, putative 0.0019 0.0573 0.0793
Schistosoma mansoni terminal deoxycytidyl transferase 0.0019 0.0573 0.0589
Mycobacterium tuberculosis Probable dehydrogenase 0.0106 0.5982 0.8837
Plasmodium falciparum AP endonuclease (DNA-[apurinic or apyrimidinic site] lyase), putative 0.0023 0.0802 0.0802
Trypanosoma brucei dihydrolipoamide dehydrogenase 0.0016 0.0395 0.0436
Giardia lamblia Heat shock protein HSP 90-alpha 0.0039 0.1789 0.3464
Leishmania major protein kinase, putative,polo-like protein kinase, putative 0.0093 0.5163 1
Leishmania major heat shock protein 83-1 0.0045 0.2193 0.4042
Leishmania major heat shock protein 83-1 0.0045 0.2193 0.4042

Activities

Activity type Activity value Assay description Source Reference
Potency (functional) 0.0126 uM PubChem BioAssay. qHTS Assay for Inhibitors of the Human Apurinic/apyrimidinic Endonuclease 1 (APE1). (Class of assay: confirmatory) ChEMBL. No reference
Potency (binding) = 22.3872 um PUBCHEM_BIOASSAY: qHTS Assay for Identification of Novel General Anesthetics. In this assay, a GABAergic mimetic model system, apoferritin and a profluorescent 1-aminoanthracene ligand (1-AMA), was used to construct a competitive binding assay for identification of novel general anesthetics (Class of assay: confirmatory) [Related pubchem assays: 2385 (Probe Development Summary for Identification of Novel General Anesthetics), 2323 (Validation apoferritin assay run on SigmaAldrich LOPAC1280 collection)] ChEMBL. No reference
Potency (functional) = 50.1187 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

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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