Detailed information for compound 874853

Basic information

Technical information
  • TDR Targets ID: 874853
  • Name: 6-methoxy-2-oxochromene-3-carboxylic acid
  • MW: 220.178 | Formula: C11H8O5
  • H donors: 1 H acceptors: 3 LogP: 2.17 Rotable bonds: 2
    Rule of 5 violations (Lipinski): 1
  • SMILES: COc1ccc2c(c1)cc(c(=O)o2)C(=O)O
  • InChi: 1S/C11H8O5/c1-15-7-2-3-9-6(4-7)5-8(10(12)13)11(14)16-9/h2-5H,1H3,(H,12,13)
  • InChiKey: XIQQAIQZABTSNZ-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

  • 6-methoxy-2-oxo-chromene-3-carboxylic acid
  • 6-methoxy-2-oxo-3-chromenecarboxylic acid
  • 2-keto-6-methoxy-chromene-3-carboxylic acid
  • EU-0034061
  • CBMicro_000141
  • 6-Methoxy-2-oxo-2H-chromene-3-carboxylic acid
  • BAS 00518708
  • STOCK1N-04483
  • Oprea1_357602
  • MLS000061036
  • SMR000069802
  • Oprea1_705276
  • BIM-0000182.P001

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Homo sapiens carbonic anhydrase VB, mitochondrial Starlite/ChEMBL References
Homo sapiens carbonic anhydrase XII Starlite/ChEMBL References
Homo sapiens TAR DNA binding protein Starlite/ChEMBL No references
Bacillus subtilis (strain 168) ATP-dependent Clp protease proteolytic subunit Starlite/ChEMBL No references
Mus musculus carbonic anhydrase 13 Starlite/ChEMBL References
Homo sapiens carbonic anhydrase I Starlite/ChEMBL References
Homo sapiens carbonic anhydrase XIV Starlite/ChEMBL References
Influenza A virus Nonstructural protein 1 Starlite/ChEMBL No references
Equus caballus Ferritin light chain Starlite/ChEMBL No references
Homo sapiens carbonic anhydrase III, muscle specific Starlite/ChEMBL References
Homo sapiens carbonic anhydrase IX Starlite/ChEMBL References
Escherichia coli penicillin-binding protein Starlite/ChEMBL No references
Homo sapiens carbonic anhydrase VA, mitochondrial Starlite/ChEMBL References
Mus musculus carbonic anhydrase 15 Starlite/ChEMBL References
Homo sapiens carbonic anhydrase II Starlite/ChEMBL References
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
Schistosoma mansoni carbonic anhydrase II (carbonate dehydratase II) Get druggable targets OG5_127628 All targets in OG5_127628
Echinococcus granulosus tar DNA binding protein Get druggable targets OG5_132461 All targets in OG5_132461
Leishmania donovani apurinic/apyrimidinic endonuclease-redox protein Get druggable targets OG5_126768 All targets in OG5_126768
Trypanosoma cruzi carbonic anhydrase-like protein, putative Get druggable targets OG5_127628 All targets in OG5_127628
Trypanosoma brucei gambiense carbonic anhydrase-like protein Get druggable targets OG5_127628 All targets in OG5_127628
Plasmodium vivax AP endonuclease (DNA-[apurinic or apyrimidinic site] lyase), putative Get druggable targets OG5_126768 All targets in OG5_126768
Echinococcus granulosus DNA apurinic or apyrimidinic site lyase Get druggable targets OG5_126768 All targets in OG5_126768
Brugia malayi Eukaryotic-type carbonic anhydrase family protein Get druggable targets OG5_127628 All targets in OG5_127628
Mycobacterium tuberculosis Probable ATP-dependent CLP protease proteolytic subunit 2 ClpP2 (endopeptidase CLP 2) Get druggable targets OG5_127187 All targets in OG5_127187
Trichomonas vaginalis ap endonuclease, putative Get druggable targets OG5_126768 All targets in OG5_126768
Schistosoma japonicum DNA-(apurinic or apyrimidinic site) lyase 2, putative Get druggable targets OG5_126768 All targets in OG5_126768
Plasmodium knowlesi AP endonuclease (DNA-[apurinic or apyrimidinic site] lyase), putative Get druggable targets OG5_126768 All targets in OG5_126768
Chlamydia trachomatis ATP-dependent Clp protease proteolytic subunit Get druggable targets OG5_127187 All targets in OG5_127187
Loa Loa (eye worm) TAR-binding protein Get druggable targets OG5_132461 All targets in OG5_132461
Mycobacterium tuberculosis Possible penicillin-binding protein Get druggable targets OG5_149948 All targets in OG5_149948
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_127187 All targets in OG5_127187
Schistosoma mansoni ap endonuclease Get druggable targets OG5_126768 All targets in OG5_126768
Wolbachia endosymbiont of Brugia malayi ATP-dependent Clp protease proteolytic subunit Get druggable targets OG5_127187 All targets in OG5_127187
Trypanosoma congolense carbonic anhydrase-like protein Get druggable targets OG5_127628 All targets in OG5_127628
Mycobacterium ulcerans exodeoxyribonuclease III protein XthA Get druggable targets OG5_126768 All targets in OG5_126768
Leishmania infantum carbonic anhydrase-like protein Get druggable targets OG5_127628 All targets in OG5_127628
Mycobacterium leprae PROBABLE ATP-DEPENDENT CLP PROTEASE PROTEOLYTIC SUBUNIT 2 CLPP2 (ENDOPEPTIDASE CLP 2) Get druggable targets OG5_127187 All targets in OG5_127187
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
Leishmania mexicana carbonic anhydrase-like protein Get druggable targets OG5_127628 All targets in OG5_127628
Brugia malayi Probable ClpP-like protease Get druggable targets OG5_127187 All targets in OG5_127187
Giardia lamblia Endonuclease/Exonuclease/phosphatase 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 mansoni tar DNA-binding protein Get druggable targets OG5_132461 All targets in OG5_132461
Leishmania major carbonic anhydrase-like protein Get druggable targets OG5_127628 All targets in OG5_127628
Loa Loa (eye worm) RNA binding protein Get druggable targets OG5_132461 All targets in OG5_132461
Leishmania mexicana apurinic/apyrimidinic endonuclease-redox protein,AP-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
Trypanosoma cruzi carbonic anhydrase-like protein, putative Get druggable targets OG5_127628 All targets in OG5_127628
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
Schistosoma japonicum ko:K01358 ATP-dependent Clp protease, protease subunit [EC3.4.21.92], putative Get druggable targets OG5_127187 All targets in OG5_127187
Toxoplasma gondii ATP-dependent Clp endopeptidase, proteolytic subunit ClpP domain-containing protein Get druggable targets OG5_127187 All targets in OG5_127187
Schistosoma mansoni tar DNA-binding protein Get druggable targets OG5_132461 All targets in OG5_132461
Loa Loa (eye worm) RNA recognition domain-containing protein domain-containing protein Get druggable targets OG5_132461 All targets in OG5_132461
Echinococcus multilocularis peptidase Clp (S14 family) Get druggable targets OG5_127187 All targets in OG5_127187
Candida albicans similar to S. cerevisiae APN2 (YBL019W) DNA repair apurinic/apyrimidinic endonuclease Get druggable targets OG5_126768 All targets in OG5_126768
Schistosoma japonicum TAR DNA-binding protein 43, putative Get druggable targets OG5_132461 All targets in OG5_132461
Trypanosoma cruzi apurinic/apyrimidinic endonuclease Get druggable targets OG5_126768 All targets in OG5_126768
Schistosoma japonicum ko:K06275 parvin, putative Get druggable targets OG5_127187 All targets in OG5_127187
Loa Loa (eye worm) eukaryotic-type carbonic anhydrase Get druggable targets OG5_127628 All targets in OG5_127628
Loa Loa (eye worm) carbonic anhydrase 3 Get druggable targets OG5_127628 All targets in OG5_127628
Neospora caninum hypothetical protein Get druggable targets OG5_126768 All targets in OG5_126768
Echinococcus multilocularis ATP dependent Clp protease proteolytic subunit Get druggable targets OG5_127187 All targets in OG5_127187
Leishmania donovani carbonic anhydrase-like protein Get druggable targets OG5_127628 All targets in OG5_127628
Schistosoma mansoni tar DNA-binding protein Get druggable targets OG5_132461 All targets in OG5_132461
Toxoplasma gondii ATP-dependent Clp endopeptidase, proteolytic subunit ClpP domain-containing protein Get druggable targets OG5_127187 All targets in OG5_127187
Trichomonas vaginalis ap endonuclease, 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
Plasmodium falciparum AP endonuclease (DNA-[apurinic or apyrimidinic site] lyase), putative Get druggable targets OG5_126768 All targets in OG5_126768
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_134970 All targets in OG5_134970
Chlamydia trachomatis ATP-dependent Clp protease proteolytic subunit Get druggable targets OG5_127187 All targets in OG5_127187
Trypanosoma brucei 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
Echinococcus granulosus ATP dependent Clp protease proteolytic subunit Get druggable targets OG5_127187 All targets in OG5_127187
Brugia malayi Putative carbonic anhydrase 5 precursor Get druggable targets OG5_127628 All targets in OG5_127628
Trypanosoma brucei gambiense apurinic/apyrimidinic endonuclease, putative 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
Echinococcus granulosus peptidase Clp S14 family Get druggable targets OG5_127187 All targets in OG5_127187
Brugia malayi exodeoxyribonuclease III family protein Get druggable targets OG5_126768 All targets in OG5_126768
Schistosoma japonicum ko:K01672 carbonic anhydrase [EC4.2.1.1], putative Get druggable targets OG5_127628 All targets in OG5_127628
Treponema pallidum exodeoxyribonuclease (exoA) 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
Schistosoma mansoni tar DNA-binding protein Get druggable targets OG5_132461 All targets in OG5_132461
Plasmodium knowlesi ATP-dependent Clp protease proteolytic subunit, putative Get druggable targets OG5_127187 All targets in OG5_127187
Brugia malayi RNA binding protein Get druggable targets OG5_132461 All targets in OG5_132461
Mycobacterium leprae PROBABLE ATP-DEPENDENT CLP PROTEASE PROTEOLYTIC SUBUNIT 1 CLPP1 (ENDOPEPTIDASE CLP) Get druggable targets OG5_127187 All targets in OG5_127187
Entamoeba histolytica exodeoxyribonuclease III, putative Get druggable targets OG5_126768 All targets in OG5_126768
Plasmodium falciparum ATP-dependent Clp protease proteolytic subunit Get druggable targets OG5_127187 All targets in OG5_127187
Echinococcus multilocularis tar DNA binding protein Get druggable targets OG5_132461 All targets in OG5_132461
Loa Loa (eye worm) exodeoxyribonuclease III family protein Get druggable targets OG5_126768 All targets in OG5_126768
Leishmania braziliensis carbonic anhydrase-like protein Get druggable targets OG5_127628 All targets in OG5_127628
Theileria parva ATP-dependent Clp protease proteolytic subunit, putative Get druggable targets OG5_127187 All targets in OG5_127187
Brugia malayi RNA recognition motif domain containing protein Get druggable targets OG5_132461 All targets in OG5_132461
Theileria parva hypothetical protein 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 ATP-dependent Clp protease proteolytic subunit Get druggable targets OG5_127187 All targets in OG5_127187
Treponema pallidum ATP-dependent Clp protease proteolytic subunit Get druggable targets OG5_127187 All targets in OG5_127187
Schistosoma japonicum DNA-(apurinic or apyrimidinic site) lyase 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
Schistosoma japonicum TAR DNA-binding protein 43, putative Get druggable targets OG5_132461 All targets in OG5_132461
Schistosoma japonicum ko:K10772 AP endonuclease 2, 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
Babesia bovis ATP-dependent Clp protease proteolytic subunit 1, putative Get druggable targets OG5_127187 All targets in OG5_127187
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 peptidase Clp (S14 family) Get druggable targets OG5_127187 All targets in OG5_127187
Theileria parva ATP-dependent Clp protease proteolytic subunit, putative Get druggable targets OG5_127187 All targets in OG5_127187
Schistosoma mansoni tar DNA-binding protein Get druggable targets OG5_132461 All targets in OG5_132461
Neospora caninum ATP-dependent Clp protease proteolytic subunit, related Get druggable targets OG5_127187 All targets in OG5_127187
Echinococcus multilocularis carbonic anhydrase II Get druggable targets OG5_127628 All targets in OG5_127628
Brugia malayi TAR-binding protein Get druggable targets OG5_132461 All targets in OG5_132461
Trypanosoma brucei carbonic anhydrase-like protein Get druggable targets OG5_127628 All targets in OG5_127628
Plasmodium vivax ATP-dependent Clp protease proteolytic subunit, putative Get druggable targets OG5_127187 All targets in OG5_127187
Toxoplasma gondii exonuclease III APE Get druggable targets OG5_126768 All targets in OG5_126768
Plasmodium yoelii ATP-dependent Clp protease, proteolytic subunit ClpP, putative Get druggable targets OG5_127187 All targets in OG5_127187
Schistosoma mansoni carbonic anhydrase II (carbonate dehydratase II) Get druggable targets OG5_127628 All targets in OG5_127628
Trypanosoma congolense carbonic anhydrase-like protein Get druggable targets OG5_127628 All targets in OG5_127628
Mycobacterium tuberculosis Probable ATP-dependent CLP protease proteolytic subunit 1 ClpP1 (endopeptidase CLP) Get druggable targets OG5_127187 All targets in OG5_127187
Plasmodium berghei AP endonuclease (DNA-[apurinic or apyrimidinic site] lyase), putative Get druggable targets OG5_126768 All targets in OG5_126768
Plasmodium berghei ATP-dependent Clp protease proteolytic subunit, putative Get druggable targets OG5_127187 All targets in OG5_127187
Echinococcus granulosus carbonic anhydrase II Get druggable targets OG5_127628 All targets in OG5_127628
Mycobacterium ulcerans ATP-dependent Clp protease proteolytic subunit Get druggable targets OG5_127187 All targets in OG5_127187
By sequence similarity to non orthologous known druggable targets
Species Potential target Known druggable target Length Alignment span Identity
Trypanosoma cruzi carbonic anhydrase-like protein, putative carbonic anhydrase XII 354 aa 295 aa 23.1 %
Trypanosoma cruzi carbonic anhydrase-like protein, putative carbonic anhydrase 15 324 aa 263 aa 27.8 %
Plasmodium vivax ATP-dependent Clp protease proteolytic subunit, putative ATP-dependent Clp protease proteolytic subunit   197 aa 189 aa 35.5 %
Chlamydia trachomatis hypothetical protein ATP-dependent Clp protease proteolytic subunit   197 aa 171 aa 22.8 %
Mycobacterium tuberculosis Hypothetical protein Nonstructural protein 1   230 aa 202 aa 23.8 %
Treponema pallidum ATP-dependent Clp protease proteolytic subunit ATP-dependent Clp protease proteolytic subunit   197 aa 186 aa 40.3 %
Schistosoma mansoni ferritin Ferritin light chain   175 aa 171 aa 43.9 %
Trypanosoma brucei carbonic anhydrase-like protein carbonic anhydrase I 261 aa 281 aa 25.3 %
Trypanosoma brucei carbonic anhydrase-like protein carbonic anhydrase 13 262 aa 260 aa 27.7 %
Brugia malayi Carbonic anhydrase like protein 2 precursor carbonic anhydrase II 260 aa 259 aa 32.0 %
Schistosoma mansoni ferritin Ferritin light chain   175 aa 171 aa 44.4 %
Babesia bovis ATP-dependent Clp protease proteolytic subunit, putative ATP-dependent Clp protease proteolytic subunit   197 aa 188 aa 41.5 %
Echinococcus granulosus expressed protein Ferritin light chain   175 aa 146 aa 28.8 %
Schistosoma mansoni apoferritin-2 Ferritin light chain   175 aa 146 aa 28.8 %
Onchocerca volvulus Putative V-type proton ATPase subunit F ATP-dependent Clp protease proteolytic subunit   197 aa 194 aa 54.1 %
Plasmodium yoelii Clp protease ATP-dependent Clp protease proteolytic subunit   197 aa 183 aa 36.6 %
Plasmodium falciparum ATP-dependent Clp protease proteolytic subunit ATP-dependent Clp protease proteolytic subunit   197 aa 183 aa 36.1 %
Schistosoma mansoni apoferritin-2 Ferritin light chain   175 aa 142 aa 29.6 %
Leishmania major carbonic anhydrase-like protein carbonic anhydrase VA, mitochondrial 305 aa 255 aa 25.9 %
Schistosoma japonicum Ferritin, putative Ferritin light chain   175 aa 144 aa 24.3 %
Trypanosoma brucei carbonic anhydrase-like protein carbonic anhydrase III, muscle specific 260 aa 261 aa 26.1 %
Mycobacterium leprae ATP-dependent Clp protease proteolytic subunit 1 ATP-dependent Clp protease proteolytic subunit   197 aa 172 aa 57.0 %
Trypanosoma brucei carbonic anhydrase-like protein carbonic anhydrase VB, mitochondrial 317 aa 287 aa 24.7 %
Schistosoma mansoni neuropeptide receptor ATP-dependent Clp protease proteolytic subunit   197 aa 174 aa 20.1 %
Plasmodium knowlesi ATP-dependent Clp protease proteolytic subunit, putative ATP-dependent Clp protease proteolytic subunit   197 aa 189 aa 36.0 %
Echinococcus multilocularis expressed protein Ferritin light chain   175 aa 146 aa 30.1 %
Babesia bovis ATP-dependent Clp protease proteolytic subunit, putative ATP-dependent Clp protease proteolytic subunit   197 aa 188 aa 41.5 %
Plasmodium berghei ATP-dependent Clp protease proteolytic subunit, putative ATP-dependent Clp protease proteolytic subunit   197 aa 180 aa 36.7 %
Obtained from network model

Ranking Plot

Putative Targets List

Species Potential target Raw Global Species
Trypanosoma brucei carbonic anhydrase-like protein 0.0449 0.3829 0.5
Brugia malayi Sodium:neurotransmitter symporter family protein 0.0102 0.0257 0.048
Schistosoma mansoni sodium/chloride dependent neurotransmitter transporter 0.0102 0.0257 0.048
Echinococcus granulosus carbonic anhydrase 0.0336 0.2662 0.4966
Treponema pallidum sodium- and chloride- dependent transporter 0.0598 0.5359 1
Schistosoma mansoni sodium-dependent neurotransmitter transporter 0.0102 0.0257 0.048
Echinococcus granulosus sodium dependent neurotransmitter transporter 0.0102 0.0257 0.048
Toxoplasma gondii hypothetical protein 0.0102 0.0257 0.0295
Chlamydia trachomatis Ssodium-dependent amino acid transporter 0.0102 0.0257 1
Echinococcus multilocularis sodium and chloride dependent glycine 0.0102 0.0257 0.048
Trypanosoma cruzi carbonic anhydrase-like protein, putative 0.0449 0.3829 0.5
Echinococcus multilocularis serotonin transporter 0.0598 0.5359 1
Echinococcus granulosus sodium and chloride dependent glycine 0.0102 0.0257 0.048
Brugia malayi hypothetical protein 0.0102 0.0257 0.048
Schistosoma mansoni sodium/chloride dependent transporter 0.0102 0.0257 0.048
Loa Loa (eye worm) hypothetical protein 0.0102 0.0257 0.0257
Schistosoma mansoni sodium/chloride dependent transporter 0.0102 0.0257 0.048
Schistosoma mansoni peptidase Clp (S14 family) 0.0094 0.0184 0.0344
Echinococcus multilocularis uncharacterized sodium dependent transporter 0.0102 0.0257 0.048
Loa Loa (eye worm) hypothetical protein 0.0102 0.0257 0.0257
Echinococcus multilocularis sodium dependent neurotransmitter transporter 0.0102 0.0257 0.048
Echinococcus granulosus carbonic anhydrase II 0.0449 0.3829 0.7145
Loa Loa (eye worm) hypothetical protein 0.0102 0.0257 0.0257
Loa Loa (eye worm) norepinephrine transporter 0.0598 0.5359 0.5359
Echinococcus multilocularis ATP dependent Clp protease proteolytic subunit 0.0094 0.0184 0.0344
Loa Loa (eye worm) hypothetical protein 0.0102 0.0257 0.0257
Brugia malayi Sodium:neurotransmitter symporter family protein 0.0102 0.0257 0.048
Toxoplasma gondii Sodium:neurotransmitter symporter family protein 0.0102 0.0257 0.0295
Echinococcus multilocularis sodium:chloride dependent neurotransmitter 0.0102 0.0257 0.048
Loa Loa (eye worm) carbonic anhydrase 3 0.0449 0.3829 0.3829
Loa Loa (eye worm) hypothetical protein 0.0598 0.5359 0.5359
Schistosoma mansoni norepinephrine/norepinephrine transporter 0.0102 0.0257 0.048
Schistosoma mansoni sodium-dependent neurotransmitter transporter 0.0102 0.0257 0.048
Schistosoma mansoni norepinephrine/norepinephrine transporter 0.0598 0.5359 1
Echinococcus multilocularis carbonic anhydrase II 0.0449 0.3829 0.7145
Loa Loa (eye worm) hypothetical protein 0.0598 0.5359 0.5359
Echinococcus granulosus ATP dependent Clp protease proteolytic subunit 0.0094 0.0184 0.0344
Plasmodium falciparum transporter, putative 0.0102 0.0257 0.0295
Brugia malayi Putative carbonic anhydrase 5 precursor 0.0449 0.3829 0.7145
Echinococcus granulosus carbonic anhydrase 0.0336 0.2662 0.4966
Brugia malayi Carbonic anhydrase like protein 2 precursor 0.0336 0.2662 0.4966
Echinococcus granulosus sodium and chloride dependent glycine 0.0102 0.0257 0.048
Toxoplasma gondii Sodium:neurotransmitter symporter family protein 0.0102 0.0257 0.0295
Onchocerca volvulus 0.0598 0.5359 1
Loa Loa (eye worm) hypothetical protein 0.0102 0.0257 0.0257
Trypanosoma cruzi carbonic anhydrase-like protein, putative 0.0449 0.3829 0.5
Brugia malayi Carbonic anhydrase like protein 2 precursor 0.0336 0.2662 0.4966
Plasmodium falciparum carbonic anhydrase 0.0336 0.2662 1
Toxoplasma gondii hypothetical protein 0.0102 0.0257 0.0295
Mycobacterium ulcerans ATP-dependent Clp protease proteolytic subunit 0.0094 0.0184 0.5
Loa Loa (eye worm) serotonin transporter b 0.0598 0.5359 0.5359
Wolbachia endosymbiont of Brugia malayi ATP-dependent Clp protease proteolytic subunit 0.0094 0.0184 0.5
Echinococcus granulosus uncharacterized sodium dependent transporter 0.0102 0.0257 0.048
Plasmodium vivax amine transporter, putative 0.0102 0.0257 1
Toxoplasma gondii Sodium:neurotransmitter symporter family protein 0.0102 0.0257 0.0295
Toxoplasma gondii hypothetical protein 0.0336 0.2662 1
Leishmania major carbonic anhydrase-like protein 0.0449 0.3829 0.5
Schistosoma mansoni hypothetical protein 0.0336 0.2662 0.4966
Loa Loa (eye worm) hypothetical protein 0.0336 0.2662 0.2662
Brugia malayi Eukaryotic-type carbonic anhydrase family protein 0.0336 0.2662 0.4966
Schistosoma mansoni carbonic anhydrase II (carbonate dehydratase II) 0.0449 0.3829 0.7145
Loa Loa (eye worm) hypothetical protein 0.0598 0.5359 0.5359
Loa Loa (eye worm) hypothetical protein 0.0336 0.2662 0.2662
Echinococcus granulosus carbonic anhydrase 0.0336 0.2662 0.4966
Loa Loa (eye worm) Sodium:neurotransmitter symporter family protein 0.0102 0.0257 0.0257
Echinococcus granulosus uncharacterized sodium dependent transporter 0.0102 0.0257 0.048
Schistosoma mansoni carbonic anhydrase 0.0336 0.2662 0.4966
Echinococcus multilocularis carbonic anhydrase 0.0336 0.2662 0.4966
Brugia malayi Eukaryotic-type carbonic anhydrase family protein 0.0449 0.3829 0.7145
Echinococcus multilocularis carbonic anhydrase 0.0336 0.2662 0.4966
Schistosoma mansoni sodium-dependent neurotransmitter transporter 0.0102 0.0257 0.048
Schistosoma mansoni norepinephrine/norepinephrine transporter 0.0102 0.0257 0.048
Brugia malayi Probable ClpP-like protease 0.0094 0.0184 0.0344
Plasmodium falciparum amino acid transporter, putative 0.0102 0.0257 0.0295
Schistosoma mansoni carbonic anhydrase-related 0.0336 0.2662 0.4966
Brugia malayi Eukaryotic-type carbonic anhydrase family protein 0.0336 0.2662 0.4966
Brugia malayi Sodium:neurotransmitter symporter family protein 0.0598 0.5359 1
Mycobacterium leprae PROBABLE ATP-DEPENDENT CLP PROTEASE PROTEOLYTIC SUBUNIT 2 CLPP2 (ENDOPEPTIDASE CLP 2) 0.0094 0.0184 0.5
Loa Loa (eye worm) solute carrier family 6 member 4 0.0598 0.5359 0.5359
Schistosoma mansoni sodium/chloride dependent neurotransmitter transporter 0.0102 0.0257 0.048
Brugia malayi Sodium:neurotransmitter symporter family protein 1, putative 0.0102 0.0257 0.048
Echinococcus multilocularis carbonic anhydrase 0.0336 0.2662 0.4966
Echinococcus multilocularis sodium and chloride dependent glycine 0.0102 0.0257 0.048
Loa Loa (eye worm) eukaryotic-type carbonic anhydrase 0.0336 0.2662 0.2662
Loa Loa (eye worm) Sodium:neurotransmitter symporter family protein 0.0102 0.0257 0.0257
Loa Loa (eye worm) eukaryotic-type carbonic anhydrase 0.0449 0.3829 0.3829
Loa Loa (eye worm) hypothetical protein 0.0102 0.0257 0.0257
Echinococcus granulosus serotonin transporter 0.0598 0.5359 1
Schistosoma mansoni sodium/chloride dependent neurotransmitter transporter 0.0102 0.0257 0.048
Plasmodium vivax hypothetical protein, conserved 0.0102 0.0257 1
Loa Loa (eye worm) hypothetical protein 0.0102 0.0257 0.0257
Schistosoma mansoni sodium/chloride dependent transporter 0.0598 0.5359 1
Echinococcus granulosus sodium:chloride dependent neurotransmitter 0.0102 0.0257 0.048
Schistosoma mansoni carbonic anhydrase-related 0.0336 0.2662 0.4966
Schistosoma mansoni carbonic anhydrase II (carbonate dehydratase II) 0.0449 0.3829 0.7145
Loa Loa (eye worm) hypothetical protein 0.0094 0.0184 0.0184
Schistosoma mansoni carbonic anhydrase-related 0.0336 0.2662 0.4966
Schistosoma mansoni sodium-dependent amino acid transporter 0.0102 0.0257 0.048
Mycobacterium ulcerans ATP-dependent Clp protease proteolytic subunit 0.0094 0.0184 0.5
Brugia malayi Sodium:neurotransmitter symporter family protein 0.0102 0.0257 0.048
Brugia malayi Eukaryotic-type carbonic anhydrase family protein 0.0336 0.2662 0.4966
Mycobacterium tuberculosis Possible penicillin-binding protein 0.0278 0.2068 0.5

Activities

Activity type Activity value Assay description Source Reference
Inhibition (binding) Inhibition of human recombinant MAO-A expressed in baculovirus infected BTI-TN-5B1-4 cells assessed as production of hydrogen peroxide from p-tyramine at 100 uM after 15 mins by microplate fluorescence assay ChEMBL. 21872365
Inhibition (binding) Inhibition of human recombinant MAO-B expressed in baculovirus infected BTI-TN-5B1-4 cells assessed as production of hydrogen peroxide from p-tyramine at 100 uM after 15 mins by microplate fluorescence assay ChEMBL. 21872365
Ki (binding) = 0.059 uM Inhibition of human carbonic anhydrase 1 by stopped flow CO2 hydration assay ChEMBL. 19911821
Ki (binding) = 3.2 uM Inhibition of human carbonic anhydrase 14 by stopped flow CO2 hydration assay ChEMBL. 19911821
Ki (binding) = 3.9 uM Inhibition of human carbonic anhydrase 5A by stopped flow CO2 hydration assay ChEMBL. 19911821
Ki (binding) = 5.7 uM Inhibition of human carbonic anhydrase 9 by stopped flow CO2 hydration assay ChEMBL. 19911821
Ki (binding) = 6.8 uM Inhibition of human carbonic anhydrase 12 by stopped flow CO2 hydration assay ChEMBL. 19911821
Ki (binding) = 7.2 uM Inhibition of mouse carbonic anhydrase 15 by stopped flow CO2 hydration assay ChEMBL. 19911821
Ki (binding) = 8.1 uM Inhibition of mouse carbonic anhydrase 13 by stopped flow CO2 hydration assay ChEMBL. 19911821
Ki (binding) = 9 uM Inhibition of human carbonic anhydrase 3 by stopped flow CO2 hydration assay ChEMBL. 19911821
Ki (binding) = 9.6 uM Inhibition of human carbonic anhydrase 5B by stopped flow CO2 hydration assay ChEMBL. 19911821
Ki (binding) = 13.4 uM Inhibition of human carbonic anhydrase 2 by stopped flow CO2 hydration assay ChEMBL. 19911821
Ki (binding) = 50.5 uM Inhibition of human carbonic anhydrase 7 by stopped flow CO2 hydration assay ChEMBL. 19911821
Ki (binding) = 65.2 uM Inhibition of human carbonic anhydrase 6 by stopped flow CO2 hydration assay ChEMBL. 19911821
Ki (binding) > 500 uM Inhibition of human carbonic anhydrase 4 by stopped flow CO2 hydration assay ChEMBL. 19911821
Potency (functional) 0.0708 uM PubChem BioAssay. qHTS Assay for Inhibitors of the Human Apurinic/apyrimidinic Endonuclease 1 (APE1). (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) = 1.7783 um PUBCHEM_BIOASSAY: qHTS Inhibitors of AmpC Beta-Lactamase (assay with detergent). (Class of assay: confirmatory) [Related pubchem assays: 1002 (Confirmation Concentration-Response Assay for Inhibitors of AmpC Beta-Lactamase (assay with detergent)), 585 (Promiscuous and Specific Inhibitors of AmpC Beta-Lactamase (assay without detergent) - a screen old NIH MLSMR collection), 584 (Promiscuous and Specific Inhibitors of AmpC Beta-Lactamase (assay with detergent) - a screen of the old NIH MLSMR collection), 1003 (Confirmation Cuvette-Based Assay for Inhibitors of AmpC Beta-Lactamase (assay with detergent))] ChEMBL. No reference
Potency (functional) 4.6535 uM PUBCHEM_BIOASSAY: Primary qHTS for delayed death inhibitors of the malarial parasite plastid, 96 hour incubation. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID488745, AID488752, AID488774, AID504848, AID504850] ChEMBL. No reference
Potency (functional) 10 uM PubChem BioAssay. qHTS of TDP-43 Inhibitors. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) = 11.2202 um PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of Influenza NS1 Protein Function. (Class of assay: confirmatory) ChEMBL. No reference
Potency (binding) = 17.7828 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) 19.9526 uM PubChem BioAssay. qHTS Assay for Activators of ClpP. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 25.1189 uM PubChem BioAssay. Inhibitors of Secretory Acid Sphingomyelinase (S-ASM): qHTS. (Class of assay: confirmatory) 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) 28.1838 uM PUBCHEM_BIOASSAY: qHTS for Inhibitors of TGF-b. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID588856, AID588860] 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) = 31.6228 um PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of HPGD (15-Hydroxyprostaglandin Dehydrogenase). (Class of assay: confirmatory) [Related pubchem assays: 2429 (Confirmation qHTS Assay for Inhibitors of HPGD (15-Hydroxyprostaglandin Dehydrogenase)), 2407 (Probe Development Summary for Inhibitors of HPGD (15-Hydroxyprostaglandin Dehydrogenase)), 2427 (Thermal Shift Assay for Inhibitors of HPGD (15-Hydroxyprostaglandin Dehydrogenase))] ChEMBL. No reference
Potency (functional) 39.8107 uM PUBCHEM_BIOASSAY: qHTS Assay for Substrates of Mammalian Selenoprotein Thioredoxin Reductase 1 (TrxR1): qHTS. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID488771] 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

2 literature references were collected for this gene.

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