Detailed information for compound 1326720

Basic information

Technical information
  • TDR Targets ID: 1326720
  • Name: 5-ethyl-2-[4-(furan-2-carbonyl)piperazine-1-c arbonyl]thieno[3,2-c]quinolin-4-one
  • MW: 435.496 | Formula: C23H21N3O4S
  • H donors: 0 H acceptors: 3 LogP: 2.85 Rotable bonds: 5
    Rule of 5 violations (Lipinski): 1
  • SMILES: CCn1c(=O)c2cc(sc2c2c1cccc2)C(=O)N1CCN(CC1)C(=O)c1ccco1
  • InChi: 1S/C23H21N3O4S/c1-2-26-17-7-4-3-6-15(17)20-16(21(26)27)14-19(31-20)23(29)25-11-9-24(10-12-25)22(28)18-8-5-13-30-18/h3-8,13-14H,2,9-12H2,1H3
  • InChiKey: QVFIQCMJHSDWKI-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

  • 5-ethyl-2-[[4-(2-furyl-oxomethyl)-1-piperazinyl]-oxomethyl]-4-thieno[3,2-c]quinolinone
  • 5-ethyl-2-(4-furan-2-ylcarbonylpiperazin-1-yl)carbonyl-thieno[3,2-c]quinolin-4-one
  • MLS000118149
  • SMR000095097

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 microtubule-associated protein tau Starlite/ChEMBL No references
Homo sapiens mitogen-activated protein kinase 1 Starlite/ChEMBL No references
Influenza A virus Nonstructural protein 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
Leishmania major mitogen activated protein kinase 4, putative;with=GeneDB:LmxM19.1440 Get druggable targets OG5_126781 All targets in OG5_126781
Candida albicans MAP kinase-like orf Get druggable targets OG5_126781 All targets in OG5_126781
Trichomonas vaginalis CMGC family protein kinase Get druggable targets OG5_126781 All targets in OG5_126781
Treponema pallidum exodeoxyribonuclease (exoA) 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
Giardia lamblia Endonuclease/Exonuclease/phosphatase 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
Trypanosoma cruzi apurinic/apyrimidinic endonuclease 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
Echinococcus granulosus mitogen activated protein kinase Get druggable targets OG5_126781 All targets in OG5_126781
Mycobacterium tuberculosis Probable exodeoxyribonuclease III protein XthA (exonuclease III) (EXO III) (AP endonuclease VI) Get druggable targets OG5_126768 All targets in OG5_126768
Mycobacterium ulcerans short-chain type dehydrogenase/reductase Get druggable targets OG5_129031 All targets in OG5_129031
Plasmodium berghei AP endonuclease (DNA-[apurinic or apyrimidinic site] lyase), putative Get druggable targets OG5_126768 All targets in OG5_126768
Cryptosporidium parvum MAPK, putative Get druggable targets OG5_126781 All targets in OG5_126781
Echinococcus multilocularis mitogen activated protein kinase 3 Get druggable targets OG5_126781 All targets in OG5_126781
Schistosoma japonicum ko:K00022 3-hydroxyacyl-CoA dehydrogenase [EC1.1.1.35], putative Get druggable targets OG5_129031 All targets in OG5_129031
Leishmania mexicana mitogen-activated protein kinase Get druggable targets OG5_126781 All targets in OG5_126781
Wolbachia endosymbiont of Brugia malayi exonuclease III Get druggable targets OG5_126768 All targets in OG5_126768
Echinococcus multilocularis mitogen activated protein kinase Get druggable targets OG5_126781 All targets in OG5_126781
Trichomonas vaginalis CMGC family protein kinase Get druggable targets OG5_126781 All targets in OG5_126781
Leishmania major 3-oxoacyl-(acyl-carrier protein) reductase, putative Get druggable targets OG5_129031 All targets in OG5_129031
Trichomonas vaginalis CMGC family protein kinase Get druggable targets OG5_126781 All targets in OG5_126781
Candida albicans similar to S. cerevisiae APN2 (YBL019W) DNA repair apurinic/apyrimidinic endonuclease Get druggable targets OG5_126768 All targets in OG5_126768
Echinococcus multilocularis microtubule associated protein 2 Get druggable targets OG5_133504 All targets in OG5_133504
Leishmania donovani 3-oxoacyl-(acyl-carrier protein) reductase, putative Get druggable targets OG5_129031 All targets in OG5_129031
Trypanosoma brucei gambiense apurinic/apyrimidinic endonuclease, putative Get druggable targets OG5_126768 All targets in OG5_126768
Loa Loa (eye worm) CMGC/MAPK/ERK1 protein kinase Get druggable targets OG5_126781 All targets in OG5_126781
Trichomonas vaginalis CMGC family protein kinase Get druggable targets OG5_126781 All targets in OG5_126781
Neospora caninum hypothetical protein 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
Schistosoma mansoni microtubule-associated protein tau Get druggable targets OG5_133504 All targets in OG5_133504
Leishmania donovani mitogen activated protein kinase, putative Get druggable targets OG5_126781 All targets in OG5_126781
Mycobacterium tuberculosis Probable short-chain type dehydrogenase/reductase Get druggable targets OG5_129031 All targets in OG5_129031
Cryptosporidium hominis MAPK Get druggable targets OG5_126781 All targets in OG5_126781
Candida albicans Serine/threonine protein kinase of MAP kinase family Get druggable targets OG5_126781 All targets in OG5_126781
Schistosoma mansoni ap endonuclease Get druggable targets OG5_126768 All targets in OG5_126768
Leishmania mexicana mitogen activated protein kinase, putative,map kinase, putative Get druggable targets OG5_126781 All targets in OG5_126781
Schistosoma japonicum ko:K04371 extracellular signal-regulated kinase 1/2, putative Get druggable targets OG5_126781 All targets in OG5_126781
Brugia malayi exodeoxyribonuclease III family 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
Trypanosoma cruzi mitogen activated protein kinase 2, putative Get druggable targets OG5_126781 All targets in OG5_126781
Schistosoma mansoni serine/threonine protein kinase Get druggable targets OG5_126781 All targets in OG5_126781
Candida albicans Serine/threonine protein kinase of MAP kinase family Get druggable targets OG5_126781 All targets in OG5_126781
Leishmania donovani mitogen-activated protein kinase 4 Get druggable targets OG5_126781 All targets in OG5_126781
Schistosoma mansoni 3-hydroxyacyl-CoA dehydrogenase Get druggable targets OG5_129031 All targets in OG5_129031
Loa Loa (eye worm) 3-hydroxyacyl-CoA dehydrogenase type II Get druggable targets OG5_129031 All targets in OG5_129031
Leishmania mexicana apurinic/apyrimidinic endonuclease-redox protein,AP-endonuclease 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
Brugia malayi MAP kinase sur-1 Get druggable targets OG5_126781 All targets in OG5_126781
Candida albicans MAP kinase implicated in PKC1-controlled signalling pathway Get druggable targets OG5_126781 All targets in OG5_126781
Trichomonas vaginalis ap endonuclease, putative Get druggable targets OG5_126768 All targets in OG5_126768
Leishmania infantum mitogen activated protein kinase 4, putative;with=GeneDB:LmxM19.1440 Get druggable targets OG5_126781 All targets in OG5_126781
Trypanosoma cruzi apurinic/apyrimidinic endonuclease, putative Get druggable targets OG5_126768 All targets in OG5_126768
Trypanosoma cruzi mitogen-activated protein kinase 11, putative Get druggable targets OG5_126781 All targets in OG5_126781
Schistosoma japonicum ko:K04380 microtubule-associated protein tau, putative Get druggable targets OG5_133504 All targets in OG5_133504
Giardia lamblia Kinase, CMGC MAPK Get druggable targets OG5_126781 All targets in OG5_126781
Leishmania infantum apurinic/apyrimidinic endonuclease-redox protein Get druggable targets OG5_126768 All targets in OG5_126768
Echinococcus granulosus mitogen activated protein kinase 3 Get druggable targets OG5_126781 All targets in OG5_126781
Schistosoma japonicum ko:K10771 AP endonuclease 1, putative Get druggable targets OG5_126768 All targets in OG5_126768
Trypanosoma brucei mitogen activated protein kinase 4, putative Get druggable targets OG5_126781 All targets in OG5_126781
Loa Loa (eye worm) exodeoxyribonuclease III family protein Get druggable targets OG5_126768 All targets in OG5_126768
Trypanosoma brucei protein kinase, putative Get druggable targets OG5_126781 All targets in OG5_126781
Trypanosoma brucei gambiense protein kinase, putative,tyrosine protein kinase, putative Get druggable targets OG5_126781 All targets in OG5_126781
Trichomonas vaginalis ap endonuclease, putative Get druggable targets OG5_126768 All targets in OG5_126768
Mycobacterium ulcerans short-chain type dehydrogenase/reductase Get druggable targets OG5_129031 All targets in OG5_129031
Trypanosoma brucei gambiense mitogen-activated protein kinase, putative Get druggable targets OG5_126781 All targets in OG5_126781
Candida albicans similar to S. cerevisiae APN2 (YBL019W) DNA repair apurinic/apyrimidinic endonuclease 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
Trypanosoma cruzi mitogen activated protein kinase 4, putative Get druggable targets OG5_126781 All targets in OG5_126781
Leishmania major apurinic/apyrimidinic endonuclease-redox protein Get druggable targets OG5_126768 All targets in OG5_126768
Leishmania braziliensis mitogen activated protein kinase, putative,map kinase, putative Get druggable targets OG5_126781 All targets in OG5_126781
Schistosoma japonicum ko:K10772 AP endonuclease 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 cruzi mitogen-activated protein kinase 11, putative Get druggable targets OG5_126781 All targets in OG5_126781
Cryptosporidium hominis scully CG7113-PA Get druggable targets OG5_129031 All targets in OG5_129031
Theileria parva hypothetical protein Get druggable targets OG5_126768 All targets in OG5_126768
Leishmania braziliensis mitogen activated protein kinase 4, putative;with=GeneDB:LmxM19.1440,map kinase Get druggable targets OG5_126781 All targets in OG5_126781
Leishmania major mitogen activated protein kinase, putative,map kinase, putative Get druggable targets OG5_126781 All targets in OG5_126781
Mycobacterium ulcerans exodeoxyribonuclease III protein XthA 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
Schistosoma japonicum Mitogen-activated protein kinase 3, putative Get druggable targets OG5_126781 All targets in OG5_126781
Leishmania donovani apurinic/apyrimidinic endonuclease-redox protein Get druggable targets OG5_126768 All targets in OG5_126768
Leishmania mexicana 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
Schistosoma japonicum DNA-(apurinic or apyrimidinic site) lyase 2, putative 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
Leishmania infantum mitogen activated protein kinase, putative,map kinase, putative Get druggable targets OG5_126781 All targets in OG5_126781
Plasmodium yoelii putative AP endonuclease-related Get druggable targets OG5_126768 All targets in OG5_126768
Echinococcus granulosus microtubule associated protein 2 Get druggable targets OG5_133504 All targets in OG5_133504
Brugia malayi 3-hydroxyacyl-CoA dehydrogenase type II Get druggable targets OG5_129031 All targets in OG5_129031
Leishmania braziliensis 3-oxoacyl-(acyl-carrier protein) reductase, putative Get druggable targets OG5_129031 All targets in OG5_129031
Plasmodium falciparum AP endonuclease (DNA-[apurinic or apyrimidinic site] lyase), putative Get druggable targets OG5_126768 All targets in OG5_126768
Schistosoma japonicum Mitogen-activated protein kinase 3, putative Get druggable targets OG5_126781 All targets in OG5_126781
Cryptosporidium hominis dna-(apurinic or apyrimidinic site) lyase Get druggable targets OG5_126768 All targets in OG5_126768
Trypanosoma congolense tyrosine protein kinase, putative Get druggable targets OG5_126781 All targets in OG5_126781
Trypanosoma congolense apurinic/apyrimidinic endonuclease, 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 braziliensis apurinic/apyrimidinic endonuclease-redox 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
Candida albicans MAP kinase-like orf Get druggable targets OG5_126781 All targets in OG5_126781
Toxoplasma gondii CMGC kinase, MAPK family (ERK) MAPK-1 Get druggable targets OG5_126781 All targets in OG5_126781
Trypanosoma brucei apurinic/apyrimidinic endonuclease, 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 %
Trypanosoma brucei mitogen-activated protein kinase 5 mitogen-activated protein kinase 1 360 aa 361 aa 33.2 %
Mycobacterium tuberculosis Hypothetical protein Nonstructural protein 1   230 aa 202 aa 23.8 %
Obtained from network model

Ranking Plot

Putative Targets List

Species Potential target Raw Global Species
Echinococcus granulosus mitogen activated protein kinase 0.0062 0.0496 0.0496
Schistosoma mansoni beta-12-n-acetylglucosaminyltransferase II 0.0376 0.4371 0.4371
Echinococcus granulosus alpha 16 mannosyl glycoprotein 0.0376 0.4371 0.4371
Echinococcus multilocularis mitogen activated protein kinase 3 0.0062 0.0496 0.0496
Echinococcus multilocularis microtubule associated protein 2 0.0833 1 1
Entamoeba histolytica hypothetical protein 0.0037 0.0195 1
Schistosoma mansoni family S12 unassigned peptidase (S12 family) 0.0036 0.0187 0.0187
Loa Loa (eye worm) exodeoxyribonuclease III family protein 0.0023 0.0018 0.0041
Loa Loa (eye worm) tyrosyl-tRNA synthetase 0.0034 0.0162 0.0371
Trichomonas vaginalis D-aminoacylase, putative 0.0036 0.0187 0.3538
Loa Loa (eye worm) zinc finger protein 0.0319 0.3666 0.8387
Plasmodium falciparum AP endonuclease (DNA-[apurinic or apyrimidinic site] lyase), putative 0.0023 0.0018 0.0426
Toxoplasma gondii CMGC kinase, MAPK family (ERK) MAPK-1 0.0062 0.0496 1
Schistosoma mansoni ap endonuclease 0.0023 0.0018 0.0018
Mycobacterium tuberculosis Probable conserved lipoprotein 0.0036 0.0187 0.0654
Mycobacterium ulcerans short-chain type dehydrogenase/reductase 0.0069 0.0591 1
Trypanosoma cruzi hypothetical protein, conserved 0.0036 0.0187 0.3538
Mycobacterium tuberculosis Probable lipase LipE 0.0036 0.0187 0.0654
Leishmania major apurinic/apyrimidinic endonuclease-redox protein 0.0023 0.0018 0.0305
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0091 0.0855 0.0855
Leishmania major methionyl-tRNA synthetase, putative 0.0056 0.0424 0.7164
Brugia malayi Hypothetical 52.5 kDa protein ZK945.1 in chromosome II, putative 0.0036 0.0187 0.0428
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0091 0.0855 0.0855
Brugia malayi beta-lactamase 0.0036 0.0187 0.0428
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0091 0.0855 0.0855
Toxoplasma gondii ABC1 family protein 0.0036 0.0187 0.3773
Plasmodium vivax AP endonuclease (DNA-[apurinic or apyrimidinic site] lyase), putative 0.0023 0.0018 0.0426
Loa Loa (eye worm) hypothetical protein 0.0036 0.0187 0.0428
Echinococcus multilocularis methionine tRNA synthetase 0.0056 0.0424 0.0424
Echinococcus multilocularis geminin 0.0164 0.1754 0.1754
Mycobacterium ulcerans fusion of enoyl-CoA hydratase, EchA21 and lipase, LipE 0.0036 0.0187 0.3165
Echinococcus multilocularis DNA (apurinic or apyrimidinic site) lyase 0.0023 0.0018 0.0018
Echinococcus multilocularis mitogen activated protein kinase 0.0062 0.0496 0.0496
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0091 0.0855 0.0855
Echinococcus granulosus zinc finger transcription factor gli2 0.0319 0.3666 0.3666
Loa Loa (eye worm) CMGC/MAPK/ERK1 protein kinase 0.0062 0.0496 0.1135
Loa Loa (eye worm) hypothetical protein 0.0036 0.0187 0.0428
Leishmania major hypothetical protein, conserved 0.0036 0.0187 0.3165
Schistosoma mansoni hypothetical protein 0.0164 0.1754 0.1754
Entamoeba histolytica hypothetical protein 0.0037 0.0195 1
Mycobacterium ulcerans methionyl-tRNA synthetase 0.0056 0.0424 0.7164
Loa Loa (eye worm) hypothetical protein 0.0036 0.0187 0.0428
Treponema pallidum exodeoxyribonuclease (exoA) 0.0023 0.0018 1
Trypanosoma cruzi methionyl-tRNA synthetase, putative 0.0056 0.0424 0.8486
Brugia malayi GTP-binding regulatory protein Gs alpha-S chain, putative 0.0091 0.0855 0.1955
Giardia lamblia Methionyl-tRNA synthetase 0.0056 0.0424 0.8541
Trichomonas vaginalis methionine-tRNA synthetase, putative 0.0056 0.0424 0.8486
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0091 0.0855 0.0855
Trichomonas vaginalis CMGC family protein kinase 0.0062 0.0496 1
Toxoplasma gondii exonuclease III APE 0.0023 0.0018 0.0364
Loa Loa (eye worm) GTP-binding regulatory protein Gs alpha-S chain 0.0091 0.0855 0.1955
Plasmodium vivax methionine--tRNA ligase, putative 0.0056 0.0424 1
Entamoeba histolytica hypothetical protein 0.0037 0.0195 1
Mycobacterium ulcerans beta-lactamase 0.0036 0.0187 0.3165
Giardia lamblia Kinase, CMGC MAPK 0.0062 0.0496 1
Mycobacterium ulcerans short-chain type dehydrogenase/reductase 0.0069 0.0591 1
Entamoeba histolytica exodeoxyribonuclease III, putative 0.0023 0.0018 0.0924
Leishmania major mitogen activated protein kinase, putative,map kinase, putative 0.0062 0.0496 0.8388
Loa Loa (eye worm) hypothetical protein 0.0036 0.0187 0.0428
Onchocerca volvulus 0.0036 0.0187 0.0095
Trypanosoma cruzi mitogen-activated protein kinase 11, putative 0.0062 0.0496 1
Echinococcus multilocularis zinc finger transcription factor gli2 0.0319 0.3666 0.3666
Echinococcus granulosus geminin 0.0164 0.1754 0.1754
Trichomonas vaginalis CMGC family protein kinase 0.0062 0.0496 1
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0091 0.0855 0.0855
Brugia malayi beta-lactamase family protein 0.0036 0.0187 0.0428
Chlamydia trachomatis methionine--tRNA ligase 0.0021 0 0.5
Onchocerca volvulus 0.0036 0.0187 0.0095
Wolbachia endosymbiont of Brugia malayi exonuclease III 0.0023 0.0018 0.0426
Trichomonas vaginalis penicillin-binding protein, putative 0.0036 0.0187 0.3538
Plasmodium falciparum methionine--tRNA ligase 0.0056 0.0424 1
Giardia lamblia Endonuclease/Exonuclease/phosphatase 0.0023 0.0018 0.0364
Schistosoma mansoni serine/threonine protein kinase 0.0062 0.0496 0.0496
Brugia malayi MAP kinase sur-1 0.0062 0.0496 0.1135
Trichomonas vaginalis D-aminoacylase, putative 0.0036 0.0187 0.3538
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0091 0.0855 0.0855
Brugia malayi hypothetical protein 0.0037 0.0195 0.0447
Schistosoma mansoni microtubule-associated protein tau 0.0833 1 1
Schistosoma mansoni methionine-tRNA synthetase 0.0056 0.0424 0.0424
Mycobacterium ulcerans lipase LipD 0.0036 0.0187 0.3165
Mycobacterium tuberculosis Methionyl-tRNA synthetase MetS (MetRS) (methionine--tRNA ligase) 0.0056 0.0424 0.1568
Loa Loa (eye worm) 3-hydroxyacyl-CoA dehydrogenase type II 0.0065 0.0534 0.1222
Mycobacterium tuberculosis Conserved protein 0.0036 0.0187 0.0654
Entamoeba histolytica hypothetical protein 0.0037 0.0195 1
Brugia malayi methionyl-tRNA synthetase 0.0056 0.0424 0.0969
Wolbachia endosymbiont of Brugia malayi methionyl-tRNA synthetase 0.0056 0.0424 1
Trichomonas vaginalis penicillin-binding protein, putative 0.0036 0.0187 0.3538
Trypanosoma cruzi mitogen-activated protein kinase 11, putative 0.0062 0.0496 1
Echinococcus multilocularis 3 hydroxyacyl coenzyme A dehydrogenase type 2 0.0069 0.0591 0.0591
Loa Loa (eye worm) pax transcription factor protein 2 0.0248 0.2795 0.6395
Chlamydia trachomatis leucine--tRNA ligase 0.0021 0 0.5
Loa Loa (eye worm) beta-LACTamase domain containing family member 0.0036 0.0187 0.0428
Onchocerca volvulus 0.0248 0.2795 1
Mycobacterium tuberculosis Probable esterase/lipase LipP 0.0036 0.0187 0.0654
Trypanosoma cruzi mitogen activated protein kinase 4, putative 0.0062 0.0496 1
Onchocerca volvulus 0.0036 0.0187 0.0095
Schistosoma mansoni family S12 unassigned peptidase (S12 family) 0.0036 0.0187 0.0187
Schistosoma mansoni hypothetical protein 0.0037 0.0195 0.0195
Trichomonas vaginalis CMGC family protein kinase 0.0062 0.0496 1
Loa Loa (eye worm) hypothetical protein 0.0376 0.4371 1
Schistosoma mansoni transcription factor LCR-F1 0.0037 0.0195 0.0195
Echinococcus granulosus mitogen activated protein kinase 3 0.0062 0.0496 0.0496
Echinococcus multilocularis beta LACTamase domain containing family member 0.0036 0.0187 0.0187
Mycobacterium tuberculosis Possible penicillin-binding protein 0.0233 0.2606 1
Schistosoma mansoni ap endonuclease 0.0023 0.0018 0.0018
Trypanosoma brucei mitogen activated protein kinase 4, putative 0.0062 0.0496 1
Trypanosoma cruzi mitogen activated protein kinase 2, putative 0.0062 0.0496 1
Mycobacterium tuberculosis Conserved protein 0.0036 0.0187 0.0654
Schistosoma mansoni hypothetical protein 0.0164 0.1754 0.1754
Brugia malayi beta-lactamase family protein 0.0036 0.0187 0.0428
Plasmodium vivax hypothetical protein, conserved 0.0036 0.0187 0.4417
Echinococcus granulosus Basic leucine zipper bZIP transcription 0.0037 0.0195 0.0195
Loa Loa (eye worm) methionyl-tRNA synthetase 0.0056 0.0424 0.0969
Trypanosoma brucei hypothetical protein, conserved 0.0036 0.0187 0.3538
Mycobacterium ulcerans esterase/lipase LipP 0.0036 0.0187 0.3165
Loa Loa (eye worm) beta-lactamase 0.0036 0.0187 0.0428
Echinococcus granulosus DNA apurinic or apyrimidinic site lyase 0.0023 0.0018 0.0018
Echinococcus granulosus beta LACTamase domain containing family member 0.0036 0.0187 0.0187
Loa Loa (eye worm) hypothetical protein 0.0036 0.0187 0.0428
Echinococcus multilocularis alpha 1,6 mannosyl glycoprotein 0.0376 0.4371 0.4371
Echinococcus multilocularis Basic leucine zipper (bZIP) transcription 0.0037 0.0195 0.0195
Mycobacterium tuberculosis Possible conserved lipoprotein LpqK 0.0036 0.0187 0.0654
Brugia malayi 3-hydroxyacyl-CoA dehydrogenase type II 0.0069 0.0591 0.1353
Mycobacterium tuberculosis Probable esterase LipL 0.0036 0.0187 0.0654
Mycobacterium ulcerans exodeoxyribonuclease III protein XthA 0.0023 0.0018 0.0305
Echinococcus granulosus methionine tRNA synthetase 0.0056 0.0424 0.0424
Brugia malayi Pax transcription factor protein 2 0.0248 0.2795 0.6395
Brugia malayi UDP-GlcNAc:a-6-D-mannoside b1,2-N-acetylglucosaminyltransferase II 0.0376 0.4371 1
Leishmania major 3-oxoacyl-(acyl-carrier protein) reductase, putative 0.0069 0.0591 1
Mycobacterium tuberculosis Probable short-chain type dehydrogenase/reductase 0.0069 0.0591 0.2216
Trypanosoma brucei protein kinase, putative 0.0062 0.0496 1
Brugia malayi Zinc finger, C2H2 type family protein 0.0319 0.3666 0.8387
Schistosoma mansoni 3-hydroxyacyl-CoA dehydrogenase 0.0069 0.0591 0.0591
Trichomonas vaginalis CMGC family protein kinase 0.0062 0.0496 1
Brugia malayi exodeoxyribonuclease III family protein 0.0023 0.0018 0.0041
Leishmania major mitogen activated protein kinase 4, putative;with=GeneDB:LmxM19.1440 0.0062 0.0496 0.8388
Mycobacterium leprae Probable methionyl-tRNA synthase MetS 0.0056 0.0424 1
Toxoplasma gondii methionyl-tRNA synthetase 0.0056 0.0424 0.8541
Mycobacterium tuberculosis Probable lipase LipD 0.0036 0.0187 0.0654
Trichomonas vaginalis D-aminoacylase, putative 0.0036 0.0187 0.3538
Mycobacterium ulcerans hypothetical protein 0.0036 0.0187 0.3165
Trypanosoma cruzi hypothetical protein, conserved 0.0036 0.0187 0.3538
Loa Loa (eye worm) hypothetical protein 0.0036 0.0187 0.0428
Trypanosoma brucei methionyl-tRNA synthetase, putative 0.0056 0.0424 0.8486
Echinococcus granulosus 3 hydroxyacyl coenzyme A dehydrogenase type 2 0.0069 0.0591 0.0591
Mycobacterium tuberculosis Conserved protein 0.0036 0.0187 0.0654
Mycobacterium tuberculosis Probable hydrolase 0.0036 0.0187 0.0654
Trichomonas vaginalis esterase, putative 0.0036 0.0187 0.3538

Activities

Activity type Activity value Assay description Source Reference
Potency (functional) 0.0045 uM PubChem BioAssay. qHTS Assay for Inhibitors of the Human Apurinic/apyrimidinic Endonuclease 1 (APE1). (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) = 5.0119 um PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of HADH2 (Hydroxyacyl-Coenzyme A Dehydrogenase, Type II). (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) = 10 um PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of Influenza NS1 Protein Function. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 10.4179 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) = 15.8489 um PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of the ERK Signaling Pathway using a Homogeneous Screening Assay. (Class of assay: confirmatory) ChEMBL. No reference
Potency (binding) = 17.7828 um PUBCHEM_BIOASSAY: qHTS for Inhibitors of Tau Fibril Formation, Thioflavin T Binding. (Class of assay: confirmatory) [Related pubchem assays: 596 ] ChEMBL. No reference
Potency (functional) = 28.1838 um PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of Aldehyde Dehydrogenase 1 (ALDH1A1). (Class of assay: confirmatory) [Related pubchem assays: 1030 (qHTS Validation Assay for Inhibitors of aldehyde dehydrogenase 1 (ALDH1A1))] ChEMBL. No reference
Potency (functional) 29.081 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) = 31.6228 um PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of HSD17B4, hydroxysteroid (17-beta) dehydrogenase 4. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) = 31.6228 um PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of Human Jumonji Domain Containing 2E (JMJD2E). (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) = 35.4813 um PUBCHEM_BIOASSAY: qHTS Assay for Activators of Human Muscle isoform 2 Pyruvate Kinase. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) = 35.4813 um PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of Human Muscle isoform 2 Pyruvate Kinase. (Class of assay: confirmatory) [Related pubchem assays: 1379 ] 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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