Detailed information for compound 1088897

Basic information

Technical information
  • TDR Targets ID: 1088897
  • Name: 2-(3-chloro-4-hydroxyphenyl)-N-[2-(3-methoxyp henyl)ethyl]acetamide
  • MW: 319.783 | Formula: C17H18ClNO3
  • H donors: 2 H acceptors: 2 LogP: 3.34 Rotable bonds: 7
    Rule of 5 violations (Lipinski): 1
  • SMILES: COc1cccc(c1)CCNC(=O)Cc1ccc(c(c1)Cl)O
  • InChi: 1S/C17H18ClNO3/c1-22-14-4-2-3-12(9-14)7-8-19-17(21)11-13-5-6-16(20)15(18)10-13/h2-6,9-10,20H,7-8,11H2,1H3,(H,19,21)
  • InChiKey: SKRWBNMOZRTHTC-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

  • 2-(3-chloro-4-hydroxy-phenyl)-N-[2-(3-methoxyphenyl)ethyl]acetamide
  • 2-(3-chloro-4-hydroxy-phenyl)-N-[2-(3-methoxyphenyl)ethyl]ethanamide

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Mycobacterium tuberculosis Probable transmembrane carbonic anhydrase (carbonate dehydratase) (carbonic dehydratase) References
Homo sapiens carbonic anhydrase I Starlite/ChEMBL References
Candida albicans Involved in protection against oxidative damage Starlite/ChEMBL References
Mycobacterium tuberculosis Beta-carbonic anhydrase References
Cryptococcus neoformans var. grubii Carbonic anhydrase 2 Starlite/ChEMBL References
Homo sapiens carbonic anhydrase II Starlite/ChEMBL References

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Leishmania braziliensis carbonic anhydrase family protein, putative Get druggable targets OG5_127503 All targets in OG5_127503
Mycobacterium ulcerans transmembrane carbonic anhydrase, SulP Get druggable targets OG5_129533 All targets in OG5_129533
Trichomonas vaginalis conserved hypothetical protein Get druggable targets OG5_135410 All targets in OG5_135410
Trypanosoma cruzi Sulfate transporter N-terminal domain with GLY motif/Sulfate transporter family, putative Get druggable targets OG5_129533 All targets in OG5_129533
Mycobacterium ulcerans transmembrane carbonic anhydrase, SulP Get druggable targets OG5_129533 All targets in OG5_129533
Trypanosoma congolense hypothetical protein, conserved Get druggable targets OG5_129533 All targets in OG5_129533
Candida albicans hypothetical protein Get druggable targets OG5_135410 All targets in OG5_135410
Mycobacterium leprae Probable transmembrane transport protein Get druggable targets OG5_129533 All targets in OG5_129533
Leishmania infantum carbonic anhydrase-like protein Get druggable targets OG5_127628 All targets in OG5_127628
Mycobacterium ulcerans carbonic anhydrase Get druggable targets OG5_127503 All targets in OG5_127503
Trypanosoma brucei carbonic anhydrase-like protein 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
Mycobacterium tuberculosis Beta-carbonic anhydrase Get druggable targets OG5_135410 All targets in OG5_135410
Leishmania donovani carbonic anhydrase family protein, putative Get druggable targets OG5_127503 All targets in OG5_127503
Schistosoma mansoni carbonic anhydrase Get druggable targets OG5_127503 All targets in OG5_127503
Mycobacterium tuberculosis Probable conserved transmembrane protein Get druggable targets OG5_129533 All targets in OG5_129533
Echinococcus multilocularis carbonic anhydrase 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
Leishmania major carbonic anhydrase-like protein Get druggable targets OG5_127628 All targets in OG5_127628
Plasmodium yoelii sulfate permease family protein Get druggable targets OG5_129533 All targets in OG5_129533
Leishmania mexicana carbonic anhydrase family protein, putative Get druggable targets OG5_127503 All targets in OG5_127503
Trichomonas vaginalis conserved hypothetical protein Get druggable targets OG5_135410 All targets in OG5_135410
Mycobacterium ulcerans carbonic anhydrase Get druggable targets OG5_135410 All targets in OG5_135410
Plasmodium knowlesi sulfate transporter, putative Get druggable targets OG5_129533 All targets in OG5_129533
Babesia bovis sulfate transporter, putative Get druggable targets OG5_129533 All targets in OG5_129533
Mycobacterium ulcerans integral membrane transporter Get druggable targets OG5_129533 All targets in OG5_129533
Trypanosoma cruzi carbonic anhydrase-like protein, putative Get druggable targets OG5_127628 All targets in OG5_127628
Trypanosoma cruzi Sulfate transporter N-terminal domain with GLY motif/Sulfate transporter family, putative Get druggable targets OG5_129533 All targets in OG5_129533
Mycobacterium tuberculosis Probable transmembrane carbonic anhydrase (carbonate dehydratase) (carbonic dehydratase) Get druggable targets OG5_129533 All targets in OG5_129533
Loa Loa (eye worm) carbonic anhydrase 3 Get druggable targets OG5_127628 All targets in OG5_127628
Leishmania mexicana carbonic anhydrase-like protein Get druggable targets OG5_127628 All targets in OG5_127628
Schistosoma japonicum ko:K01672 carbonic anhydrase [EC4.2.1.1], putative Get druggable targets OG5_127503 All targets in OG5_127503
Schistosoma mansoni carbonic anhydrase II (carbonate dehydratase II) Get druggable targets OG5_127628 All targets in OG5_127628
Neospora caninum hypothetical protein Get druggable targets OG5_129533 All targets in OG5_129533
Mycobacterium leprae CARBONIC ANHYDRASE (CARBONATE DEHYDRATASE) (CARBONIC DEHYDRATASE) Get druggable targets OG5_127503 All targets in OG5_127503
Trypanosoma brucei gambiense hypothetical protein, conserved Get druggable targets OG5_129533 All targets in OG5_129533
Brugia malayi Putative carbonic anhydrase 5 precursor Get druggable targets OG5_127628 All targets in OG5_127628
Plasmodium vivax sulfate transporter, putative Get druggable targets OG5_129533 All targets in OG5_129533
Plasmodium berghei inorganic anion antiporter, putative Get druggable targets OG5_129533 All targets in OG5_129533
Candida albicans hypothetical protein Get druggable targets OG5_135410 All targets in OG5_135410
Schistosoma mansoni carbonic anhydrase II (carbonate dehydratase II) Get druggable targets OG5_127628 All targets in OG5_127628
Plasmodium falciparum inorganic anion exchanger, inorganic anion antiporter Get druggable targets OG5_129533 All targets in OG5_129533
Leishmania major carbonic anhydrase family protein, putative Get druggable targets OG5_127503 All targets in OG5_127503
Theileria parva sulfate transporter, putative Get druggable targets OG5_129533 All targets in OG5_129533
Toxoplasma gondii inorganic anion transporter, sulfate permease (SulP) family protein Get druggable targets OG5_129533 All targets in OG5_129533
Entamoeba histolytica carbonic anhydrase, putative Get druggable targets OG5_127503 All targets in OG5_127503
Loa Loa (eye worm) eukaryotic-type carbonic anhydrase Get druggable targets OG5_127628 All targets in OG5_127628
Leishmania donovani carbonic anhydrase-like protein Get druggable targets OG5_127628 All targets in OG5_127628
Echinococcus granulosus carbonic anhydrase II Get druggable targets OG5_127628 All targets in OG5_127628
Trypanosoma brucei Sulfate transporter N-terminal domain with GLY motif/Sulfate transporter family, putative Get druggable targets OG5_129533 All targets in OG5_129533
Leishmania braziliensis carbonic anhydrase-like protein Get druggable targets OG5_127628 All targets in OG5_127628
Schistosoma japonicum ko:K01672 carbonic anhydrase [EC4.2.1.1], putative Get druggable targets OG5_127628 All targets in OG5_127628
Mycobacterium tuberculosis Beta-carbonic anhydrase CanB Get druggable targets OG5_127503 All targets in OG5_127503
Trypanosoma congolense carbonic anhydrase-like protein Get druggable targets OG5_127628 All targets in OG5_127628
Trypanosoma cruzi carbonic anhydrase-like protein, putative Get druggable targets OG5_127628 All targets in OG5_127628
Leishmania infantum carbonic anhydrase family protein, putative Get druggable targets OG5_127503 All targets in OG5_127503
Candida albicans Involved in protection against oxidative damage Get druggable targets OG5_127503 All targets in OG5_127503
Candida albicans Involved in protection against oxidative damage Get druggable targets OG5_127503 All targets in OG5_127503
Brugia malayi Eukaryotic-type carbonic anhydrase family protein Get druggable targets OG5_127628 All targets in OG5_127628
Chlamydia trachomatis sulfate transporter Get druggable targets OG5_129533 All targets in OG5_129533
Trypanosoma congolense Sulfate transporter N-terminal domain with GLY motif/Sulfate transporter family, putative Get druggable targets OG5_129533 All targets in OG5_129533
By sequence similarity to non orthologous known druggable targets
Species Potential target Known druggable target Length Alignment span Identity
Trypanosoma brucei carbonic anhydrase-like protein carbonic anhydrase I 261 aa 281 aa 25.3 %
Brugia malayi Carbonic anhydrase like protein 2 precursor carbonic anhydrase II 260 aa 259 aa 32.0 %
Obtained from network model

Ranking Plot

Putative Targets List

Species Potential target Raw Global Species
Trichomonas vaginalis DNA polymerase eta, putative 0.0019 0.0019 0.0001
Toxoplasma gondii LsmAD domain-containing protein 0.0026 0.0063 0.1363
Schistosoma mansoni aldehyde dehydrogenase 0.0051 0.0238 0.0542
Giardia lamblia DINP protein human, muc B family 0.0019 0.0019 1
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0044 0.019 0.1552
Schistosoma mansoni transcription factor LCR-F1 0.0036 0.0133 0.0284
Mycobacterium tuberculosis Possible DNA-damage-inducible protein P DinP (DNA polymerase V) (pol IV 2) (DNA nucleotidyltransferase (DNA-directed)) 0.0019 0.0019 0.0001
Echinococcus multilocularis carbonic anhydrase II 0.0181 0.1128 1
Mycobacterium tuberculosis Probable conserved transmembrane protein 0.0285 0.1843 0.2299
Entamoeba histolytica hypothetical protein 0.0036 0.0133 0.0284
Schistosoma mansoni hypothetical protein 0.0173 0.1074 0.2601
Brugia malayi hypothetical protein 0.0026 0.0063 0.0205
Trichomonas vaginalis succinate semialdehyde dehydrogenase, putative 0.0051 0.0238 0.022
Mycobacterium ulcerans integral membrane transporter 0.0039 0.0156 0.0138
Mycobacterium tuberculosis Beta-carbonic anhydrase CanB 0.0312 0.2033 0.2538
Mycobacterium ulcerans transmembrane carbonic anhydrase, SulP 0.0039 0.0156 0.0138
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0044 0.019 0.0424
Trypanosoma cruzi Sulfate transporter N-terminal domain with GLY motif/Sulfate transporter family, putative 0.0039 0.0156 0.1244
Plasmodium vivax ataxin-2 like protein, putative 0.0026 0.0063 0.3249
Loa Loa (eye worm) hypothetical protein 0.0067 0.0347 0.1086
Entamoeba histolytica hypothetical protein 0.0036 0.0133 0.0284
Trypanosoma brucei DNA polymerase kappa, putative 0.0019 0.0019 0.0007
Mycobacterium leprae Probable transmembrane transport protein 0.0285 0.1843 0.4181
Mycobacterium ulcerans DNA polymerase IV 0.0019 0.0019 0.0001
Loa Loa (eye worm) hypothetical protein 0.0019 0.0019 0.0003
Brugia malayi latrophilin 2 splice variant baaae 0.0033 0.0112 0.0369
Trypanosoma brucei DNA polymerase kappa, putative 0.0019 0.0019 0.0007
Brugia malayi follicle stimulating hormone receptor 0.046 0.3048 1
Trypanosoma cruzi PAB1-binding protein , putative 0.0026 0.0063 0.0404
Loa Loa (eye worm) GTP-binding regulatory protein Gs alpha-S chain 0.0044 0.019 0.0568
Treponema pallidum exodeoxyribonuclease (exoA) 0.0019 0.0018 0.5
Brugia malayi Eukaryotic-type carbonic anhydrase family protein 0.0181 0.1128 0.37
Plasmodium falciparum inorganic anion exchanger, inorganic anion antiporter 0.0039 0.0156 0.4194
Brugia malayi Carbonic anhydrase like protein 2 precursor 0.0067 0.0347 0.1138
Echinococcus granulosus dna polymerase eta 0.0019 0.0019 0.0007
Trypanosoma brucei PAB1-binding protein , putative 0.0026 0.0063 0.0404
Echinococcus granulosus carbonic anhydrase 0.0067 0.0347 0.2966
Echinococcus multilocularis dna polymerase kappa 0.0019 0.0019 0.0007
Schistosoma mansoni terminal deoxycytidyl transferase 0.0019 0.0019 0.0002
Trypanosoma brucei DNA polymerase kappa, putative 0.0019 0.0019 0.0007
Schistosoma mansoni carbonic anhydrase-related 0.0067 0.0347 0.0811
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0044 0.019 0.1552
Schistosoma mansoni rab geranylgeranyl transferase alpha subunit 0.0019 0.0019 0.0002
Trypanosoma brucei Sulfate transporter N-terminal domain with GLY motif/Sulfate transporter family, putative 0.0039 0.0156 0.1244
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0044 0.019 0.1552
Loa Loa (eye worm) hypothetical protein 0.0033 0.0112 0.0313
Trichomonas vaginalis DNA polymerase IV / kappa, putative 0.0019 0.0019 0.0001
Brugia malayi Carbonic anhydrase like protein 2 precursor 0.0067 0.0347 0.1138
Mycobacterium leprae CARBONIC ANHYDRASE (CARBONATE DEHYDRATASE) (CARBONIC DEHYDRATASE) 0.061 0.4077 1
Echinococcus granulosus Basic leucine zipper bZIP transcription 0.0036 0.0133 0.104
Schistosoma mansoni hypothetical protein 0.0036 0.0133 0.0284
Loa Loa (eye worm) carbonic anhydrase 3 0.0181 0.1128 0.3663
Echinococcus multilocularis carbonic anhydrase 0.0067 0.0347 0.2966
Brugia malayi Calcitonin receptor-like protein seb-1 0.0048 0.0217 0.0713
Plasmodium falciparum carbonic anhydrase 0.0067 0.0347 1
Loa Loa (eye worm) hypothetical protein 0.0026 0.0063 0.0148
Trypanosoma cruzi DNA polymerase eta, putative 0.0019 0.0019 0.0007
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0044 0.019 0.0424
Toxoplasma gondii hypothetical protein 0.0067 0.0347 1
Schistosoma mansoni DNA polymerase eta 0.0019 0.0019 0.0002
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.0048 0.0217 0.0713
Echinococcus granulosus terminal deoxycytidyl transferase rev1 0.0019 0.0019 0.0007
Mycobacterium tuberculosis Probable aldehyde dehydrogenase (NAD+) dependent 0.0051 0.0238 0.0277
Echinococcus multilocularis geminin 0.0173 0.1074 0.9514
Leishmania major hypothetical protein, conserved 0.0026 0.0063 0.0111
Trypanosoma brucei DNA polymerase eta, putative 0.0019 0.0019 0.0007
Onchocerca volvulus 0.0247 0.158 1
Trypanosoma cruzi PAB1-binding protein , putative 0.0026 0.0063 0.0404
Echinococcus multilocularis carbonic anhydrase 0.0067 0.0347 0.2966
Schistosoma mansoni carbonic anhydrase-related 0.0067 0.0347 0.0811
Brugia malayi exodeoxyribonuclease III family protein 0.0019 0.0018 0.0058
Trypanosoma cruzi Sulfate transporter N-terminal domain with GLY motif/Sulfate transporter family, putative 0.0039 0.0156 0.1244
Trypanosoma brucei DNA polymerase IV, putative 0.0019 0.0019 0.0007
Plasmodium falciparum ataxin-2 like protein, putative 0.0026 0.0063 0.1363
Echinococcus granulosus ras gtp binding protein rho1 0.0044 0.0191 0.1562
Trypanosoma brucei DNA polymerase IV, putative 0.0019 0.0019 0.0007
Echinococcus multilocularis terminal deoxycytidyl transferase rev1 0.0019 0.0019 0.0007
Loa Loa (eye worm) hypothetical protein 0.0048 0.0217 0.0659
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0044 0.019 0.0424
Plasmodium falciparum ataxin-2 like protein, putative 0.0026 0.0063 0.1363
Schistosoma mansoni hypothetical protein 0.0173 0.1074 0.2601
Leishmania major DNA polymerase kappa, putative 0.0019 0.0019 0.0002
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0044 0.019 0.1552
Echinococcus multilocularis Basic leucine zipper (bZIP) transcription 0.0036 0.0133 0.104
Schistosoma mansoni hypothetical protein 0.0067 0.0347 0.0811
Trypanosoma brucei DNA polymerase IV, putative 0.0019 0.0019 0.0007
Brugia malayi ImpB/MucB/SamB family protein 0.0019 0.0019 0.0061
Echinococcus multilocularis dna polymerase eta 0.0019 0.0019 0.0007
Loa Loa (eye worm) pigment dispersing factor receptor c 0.0048 0.0217 0.0659
Brugia malayi GTP-binding regulatory protein Gs alpha-S chain, putative 0.0044 0.019 0.0623
Brugia malayi Eukaryotic-type carbonic anhydrase family protein 0.0067 0.0347 0.1138
Mycobacterium ulcerans DNA polymerase IV 0.0019 0.0019 0.0001
Schistosoma mansoni hypothetical protein 0.0033 0.0112 0.0233
Trypanosoma brucei unspecified product 0.0019 0.0019 0.0007
Trypanosoma cruzi DNA polymerase kappa, putative 0.0019 0.0019 0.0007
Mycobacterium ulcerans carbonic anhydrase 0.061 0.4077 0.4066
Mycobacterium tuberculosis Conserved hypothetical protein 0.0019 0.0019 0.0001
Trypanosoma brucei DNA polymerase kappa, putative 0.0019 0.0019 0.0007
Mycobacterium ulcerans aldehyde dehydrogenase (NAD+) dependent 0.0051 0.0238 0.022
Trypanosoma cruzi aldehyde dehydrogenase family, putative 0.0051 0.0238 0.1982
Trypanosoma cruzi aldehyde dehydrogenase family, putative 0.0051 0.0238 0.1982
Echinococcus granulosus aldehyde dehydrogenase family 3 member B1 0.0051 0.0238 0.1982
Trypanosoma brucei DNA polymerase kappa, putative 0.0019 0.0019 0.0007
Trypanosoma cruzi DNA polymerase kappa, putative 0.0019 0.0019 0.0007
Echinococcus granulosus carbonic anhydrase II 0.0181 0.1128 1
Brugia malayi Eukaryotic-type carbonic anhydrase family protein 0.0067 0.0347 0.1138
Loa Loa (eye worm) hypothetical protein 0.0067 0.0347 0.1086
Trypanosoma cruzi carbonic anhydrase-like protein, putative 0.0181 0.1128 1
Entamoeba histolytica aldehyde dehydrogenase 1, putative 0.0051 0.0238 0.0542
Echinococcus granulosus Fatty aldehyde dehydrogenase 0.0051 0.0238 0.1982
Schistosoma mansoni carbonic anhydrase-related 0.0067 0.0347 0.0811
Trypanosoma brucei carbonic anhydrase-like protein 0.0181 0.1128 1
Trypanosoma cruzi carbonic anhydrase-like protein, putative 0.0181 0.1128 1
Echinococcus granulosus dna polymerase kappa 0.0019 0.0019 0.0007
Echinococcus multilocularis aldehyde dehydrogenase family 3 member B1 0.0051 0.0238 0.1982
Loa Loa (eye worm) hypothetical protein 0.0067 0.0347 0.1086
Trichomonas vaginalis conserved hypothetical protein 0.1472 1 1
Trypanosoma cruzi DNA polymerase kappa, putative 0.0019 0.0019 0.0007
Echinococcus multilocularis Fatty aldehyde dehydrogenase 0.0051 0.0238 0.1982
Trypanosoma brucei DNA polymerase kappa, putative 0.0019 0.0019 0.0007
Echinococcus granulosus carbonic anhydrase 0.0067 0.0347 0.2966
Echinococcus multilocularis ras gtp binding protein rho1 0.0044 0.0191 0.1562
Leishmania major carbonic anhydrase-like protein 0.0181 0.1128 0.2734
Wolbachia endosymbiont of Brugia malayi exonuclease III 0.0019 0.0018 0.5
Chlamydia trachomatis sulfate transporter 0.0039 0.0156 0.5
Schistosoma mansoni carbonic anhydrase II (carbonate dehydratase II) 0.0181 0.1128 0.2734
Loa Loa (eye worm) eukaryotic-type carbonic anhydrase 0.0181 0.1128 0.3663
Loa Loa (eye worm) follicle stimulating hormone receptor 0.046 0.3048 1
Trypanosoma brucei DNA polymerase kappa, putative 0.0019 0.0019 0.0007
Entamoeba histolytica hypothetical protein 0.0036 0.0133 0.0284
Brugia malayi Putative carbonic anhydrase 5 precursor 0.0181 0.1128 0.37
Entamoeba histolytica deoxycytidyl transferase, putative 0.0019 0.0019 0.0002
Loa Loa (eye worm) ImpB/MucB/SamB family protein 0.0019 0.0019 0.0003
Echinococcus multilocularis carbonic anhydrase 0.0067 0.0347 0.2966
Trypanosoma brucei DNA polymerase kappa, putative 0.0019 0.0019 0.0007
Leishmania major DNA polymerase kappa, putative,DNA polymerase IV, putative 0.0019 0.0019 0.0002
Trypanosoma brucei DNA polymerase kappa, putative 0.0019 0.0019 0.0007
Trypanosoma cruzi DNA polymerase kappa, putative 0.0019 0.0019 0.0007
Schistosoma mansoni carbonic anhydrase 0.061 0.4077 1
Loa Loa (eye worm) aldehyde dehydrogenase 4 0.0051 0.0238 0.0726
Trichomonas vaginalis conserved hypothetical protein 0.1472 1 1
Leishmania major carbonic anhydrase family protein, putative 0.061 0.4077 1
Onchocerca volvulus Putative sulfate transporter 0.0247 0.158 1
Mycobacterium tuberculosis Probable transmembrane carbonic anhydrase (carbonate dehydratase) (carbonic dehydratase) 0.0583 0.3887 0.4875
Entamoeba histolytica hypothetical protein 0.0036 0.0133 0.0284
Trypanosoma brucei DNA polymerase kappa, putative 0.0019 0.0019 0.0007
Leishmania major DNA polymerase eta, putative 0.0019 0.0019 0.0002
Trypanosoma brucei aldehyde dehydrogenase family, putative 0.0051 0.0238 0.1982
Brugia malayi hypothetical protein 0.0036 0.0133 0.0437
Mycobacterium ulcerans transmembrane carbonic anhydrase, SulP 0.0039 0.0156 0.0138
Entamoeba histolytica carbonic anhydrase, putative 0.061 0.4077 1
Echinococcus granulosus carbonic anhydrase 0.0067 0.0347 0.2966
Brugia malayi Eukaryotic-type carbonic anhydrase family protein 0.0067 0.0347 0.1138
Loa Loa (eye worm) eukaryotic-type carbonic anhydrase 0.0067 0.0347 0.1086
Plasmodium vivax sulfate transporter, putative 0.0039 0.0156 1
Schistosoma mansoni carbonic anhydrase II (carbonate dehydratase II) 0.0181 0.1128 0.2734
Schistosoma mansoni carbonic anhydrase 0.0067 0.0347 0.0811
Mycobacterium tuberculosis Beta-carbonic anhydrase 0.1175 0.7956 1
Toxoplasma gondii inorganic anion transporter, sulfate permease (SulP) family protein 0.0039 0.0156 0.4194
Echinococcus granulosus geminin 0.0173 0.1074 0.9514
Brugia malayi ImpB/MucB/SamB family protein 0.0019 0.0019 0.0061
Brugia malayi Aldehyde dehydrogenase protein 4 0.0051 0.0238 0.078

Activities

Activity type Activity value Assay description Source Reference
Ki (binding) = 0.72 uM Inhibition of Candida albicans recombinant Nce103 beta-carbonic anhydrase after 15 mins by stopped flow CO2 hydration assay ChEMBL. 21332115
Ki (binding) = 0.91 uM Inhibition of Mycobacterium tuberculosis recombinant Rv3273 beta-carbonic anhydrase after 15 mins by stopped flow CO2 hydration assay ChEMBL. 21332115
Ki (binding) = 0.94 uM Inhibition of Cryptococcus neoformans recombinant Can2 beta-carbonic anhydrase after 15 mins by stopped flow CO2 hydration assay ChEMBL. 21332115
Ki (binding) = 1.27 uM Inhibition of Mycobacterium tuberculosis recombinant Rv1284 beta-carbonic anhydrase after 15 mins by stopped flow CO2 hydration assay ChEMBL. 21332115
Ki (binding) = 10.8 uM Inhibition of human recombinant alpha-carbonic anhydrase 2 after 15 mins by stopped flow CO2 hydration assay ChEMBL. 21332115
Ki (binding) = 11.2 uM Inhibition of human recombinant alpha-carbonic anhydrase 1 after 15 mins by stopped flow CO2 hydration assay ChEMBL. 21332115
Kinact (binding) = 87 nM Inhibition of human recombinant carbonic anhydrase 5B by stopped flow CO2 hydration method ChEMBL. 19962903
Kinact (binding) = 103 nM Inhibition of human recombinant carbonic anhydrase 5A by stopped flow CO2 hydration method ChEMBL. 19962903
Kinact (binding) = 10.8 uM Inhibition of human recombinant carbonic anhydrase 2 by stopped flow CO2 hydration method ChEMBL. 19962903
Kinact (binding) = 11.2 uM Inhibition of human recombinant carbonic anhydrase 1 by stopped flow CO2 hydration method ChEMBL. 19962903

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

2 literature references were collected for this gene.

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