Detailed information for compound 1009277

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 569.414 | Formula: C23H22Cl2N4O7S
  • H donors: 4 H acceptors: 7 LogP: 6.95 Rotable bonds: 5
    Rule of 5 violations (Lipinski): 2
  • SMILES: [O-][Cl](=O)(=O)=O.Cc1cc(C)[n+](c(c1)C)NC(=O)c1[nH]c2c(c1c1ccccc1Cl)cc(cc2)S(=O)(=O)N
  • InChi: 1S/C23H21ClN4O3S.ClHO4/c1-13-10-14(2)28(15(3)11-13)27-23(29)22-21(17-6-4-5-7-19(17)24)18-12-16(32(25,30)31)8-9-20(18)26-22;2-1(3,4)5/h4-12H,1-3H3,(H3-,25,26,27,29,30,31);(H,2,3,4,5)
  • InChiKey: RYGGOOLZVZYLTL-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

No synonyms found for this compound

Targets

Known targets for this compound

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

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Plasmodium vivax sulfate transporter, putative 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
Candida albicans hypothetical protein Get druggable targets OG5_135410 All targets in OG5_135410
Trypanosoma brucei gambiense carbonic anhydrase-like protein Get druggable targets OG5_127628 All targets in OG5_127628
Candida albicans Involved in protection against oxidative damage 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
Toxoplasma gondii inorganic anion transporter, sulfate permease (SulP) family protein 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
Trypanosoma congolense carbonic anhydrase-like protein Get druggable targets OG5_127628 All targets in OG5_127628
Candida albicans hypothetical protein 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
Mycobacterium ulcerans integral membrane transporter Get druggable targets OG5_129533 All targets in OG5_129533
Loa Loa (eye worm) eukaryotic-type carbonic anhydrase 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 Beta-carbonic anhydrase Get druggable targets OG5_135410 All targets in OG5_135410
Mycobacterium ulcerans transmembrane carbonic anhydrase, SulP Get druggable targets OG5_129533 All targets in OG5_129533
Leishmania donovani carbonic anhydrase-like protein Get druggable targets OG5_127628 All targets in OG5_127628
Trypanosoma congolense Sulfate transporter N-terminal domain with GLY motif/Sulfate transporter family, putative Get druggable targets OG5_129533 All targets in OG5_129533
Chlamydia trachomatis sulfate transporter Get druggable targets OG5_129533 All targets in OG5_129533
Mycobacterium ulcerans carbonic anhydrase Get druggable targets OG5_135410 All targets in OG5_135410
Schistosoma mansoni carbonic anhydrase Get druggable targets OG5_127503 All targets in OG5_127503
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
Leishmania mexicana carbonic anhydrase family protein, putative Get druggable targets OG5_127503 All targets in OG5_127503
Mycobacterium ulcerans carbonic anhydrase 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
Plasmodium yoelii sulfate permease family protein Get druggable targets OG5_129533 All targets in OG5_129533
Neospora caninum hypothetical protein 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
Schistosoma mansoni carbonic anhydrase II (carbonate dehydratase II) 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
Trypanosoma cruzi Sulfate transporter N-terminal domain with GLY motif/Sulfate transporter family, putative 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
Mycobacterium tuberculosis Beta-carbonic anhydrase CanB 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
Echinococcus granulosus carbonic anhydrase II Get druggable targets OG5_127628 All targets in OG5_127628
Candida albicans Involved in protection against oxidative damage Get druggable targets OG5_127503 All targets in OG5_127503
Echinococcus multilocularis carbonic anhydrase II 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
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
Schistosoma japonicum ko:K01672 carbonic anhydrase [EC4.2.1.1], putative Get druggable targets OG5_127503 All targets in OG5_127503
Mycobacterium tuberculosis Probable transmembrane carbonic anhydrase (carbonate dehydratase) (carbonic dehydratase) Get druggable targets OG5_129533 All targets in OG5_129533
Schistosoma japonicum ko:K01672 carbonic anhydrase [EC4.2.1.1], putative Get druggable targets OG5_127628 All targets in OG5_127628
Mycobacterium tuberculosis Probable conserved transmembrane protein Get druggable targets OG5_129533 All targets in OG5_129533
Theileria parva sulfate transporter, putative Get druggable targets OG5_129533 All targets in OG5_129533
Plasmodium knowlesi sulfate transporter, putative 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
Leishmania braziliensis carbonic anhydrase-like protein Get druggable targets OG5_127628 All targets in OG5_127628
Trichomonas vaginalis conserved hypothetical protein Get druggable targets OG5_135410 All targets in OG5_135410
Leishmania major carbonic anhydrase-like protein Get druggable targets OG5_127628 All targets in OG5_127628
Babesia bovis sulfate transporter, putative 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
Trypanosoma cruzi carbonic anhydrase-like protein, putative 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
Trypanosoma brucei carbonic anhydrase-like protein 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
Trypanosoma cruzi Sulfate transporter N-terminal domain with GLY motif/Sulfate transporter family, putative 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
Trypanosoma congolense hypothetical protein, conserved Get druggable targets OG5_129533 All targets in OG5_129533
Leishmania braziliensis carbonic anhydrase family protein, putative Get druggable targets OG5_127503 All targets in OG5_127503
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
Loa Loa (eye worm) immunoglobulin I-set domain-containing protein 0.0006 0.0008 0.0053
Loa Loa (eye worm) steroid hormone receptor 0.001 0.0037 0.0243
Trichomonas vaginalis CAMK family protein kinase 0.0092 0.0645 0.0627
Loa Loa (eye worm) hypothetical protein 0.0006 0.0008 0.0053
Brugia malayi RasGEF domain containing protein 0.0007 0.0019 0.0124
Loa Loa (eye worm) hypothetical protein 0.001 0.0037 0.0243
Plasmodium falciparum carbonic anhydrase 0.0067 0.0462 1
Schistosoma mansoni cell adhesion molecule 0.0006 0.0008 0.0033
Schistosoma mansoni Neurotrimin precursor (hNT) 0.0006 0.001 0.0039
Echinococcus multilocularis nuclear receptor subfamily 1 group D 0.0005 0.0003 0.002
Echinococcus granulosus carbonic anhydrase 0.0067 0.0462 0.3541
Loa Loa (eye worm) hypothetical protein 0.0067 0.0462 0.3039
Echinococcus granulosus receptor type tyrosine protein phosphatase 0.0006 0.0008 0.0062
Echinococcus granulosus rap guanine nucleotide exchange factor 6 0.0007 0.0019 0.0144
Schistosoma mansoni retinoid-x-receptor (RXR) 0.001 0.0037 0.0151
Brugia malayi hypothetical protein 0.0005 0.0003 0.0017
Schistosoma mansoni carbonic anhydrase II (carbonate dehydratase II) 0.0181 0.1305 0.5331
Schistosoma mansoni kinase 0.0047 0.031 0.1267
Brugia malayi Eukaryotic-type carbonic anhydrase family protein 0.0067 0.0462 0.3039
Brugia malayi Ligand-binding domain of nuclear hormone receptor family protein 0.001 0.0037 0.0243
Echinococcus granulosus Nuclear hormone receptor family member nhr 41 0.001 0.0037 0.0284
Schistosoma mansoni z-protein (S1r protein) 0.001 0.0041 0.0167
Trypanosoma brucei polo-like protein kinase 0.0092 0.0645 0.4504
Brugia malayi hypothetical protein 0.001 0.0041 0.0268
Loa Loa (eye worm) nuclear hormone receptor family member nhr-1 0.001 0.0037 0.0243
Trichomonas vaginalis CAMK family protein kinase 0.0092 0.0645 0.0627
Schistosoma mansoni nephrin 0.001 0.0039 0.0158
Trichomonas vaginalis ap endonuclease, putative 0.0019 0.0104 0.0085
Brugia malayi DIX domain containing protein 0.001 0.0041 0.0268
Schistosoma mansoni dishevelled 0.001 0.0041 0.0167
Loa Loa (eye worm) hypothetical protein 0.0067 0.0462 0.3039
Echinococcus granulosus regulator of G protein signaling 7 0.001 0.0041 0.0313
Brugia malayi Nuclear hormone receptor family member nhr-40 0.001 0.0037 0.0243
Echinococcus multilocularis receptor type tyrosine protein phosphatase 0.0006 0.0008 0.0062
Schistosoma mansoni Tr4/Tr2 (homologue) 0.001 0.0037 0.0151
Trypanosoma cruzi apurinic/apyrimidinic endonuclease 0.0019 0.0104 0.066
Echinococcus multilocularis ras GTP exchange factor 0.0007 0.0019 0.0144
Echinococcus multilocularis roundabout 2 0.0012 0.0053 0.0409
Echinococcus granulosus contactin 0.0006 0.0008 0.0062
Echinococcus granulosus neuroglian 0.0008 0.0021 0.0162
Schistosoma mansoni nephrin 0.0006 0.0008 0.0033
Echinococcus granulosus roundabout 2 0.0012 0.0053 0.0409
Schistosoma mansoni nuclear hormone receptor nor-1/nor-2 0.001 0.0037 0.0151
Echinococcus granulosus defective proboscis extension response 0.0006 0.001 0.0073
Brugia malayi Nuclear hormone receptor-like 1 0.0005 0.0003 0.0017
Echinococcus multilocularis basement membrane specific heparan sulfate 0.0006 0.001 0.0073
Schistosoma mansoni neuroglian 0.0006 0.0008 0.0033
Trichomonas vaginalis CAMK family protein kinase 0.0045 0.0301 0.0283
Schistosoma mansoni coup transcription factor 0.001 0.0037 0.0151
Trypanosoma cruzi polo-like protein kinase, putative 0.0092 0.0645 0.4867
Onchocerca volvulus 0.0091 0.0637 0.3481
Brugia malayi Immunoglobulin I-set domain containing protein 0.0006 0.0008 0.0053
Echinococcus granulosus FTZ F1 nuclear receptor protein 0.001 0.0037 0.0284
Echinococcus granulosus carbonic anhydrase 0.0067 0.0462 0.3541
Loa Loa (eye worm) RasGEF domain-containing protein 0.0007 0.0019 0.0124
Echinococcus multilocularis carbonic anhydrase 0.0067 0.0462 0.3541
Loa Loa (eye worm) nuclear hormone receptor family member nhr-14 0.001 0.0037 0.0243
Trichomonas vaginalis CAMK family protein kinase 0.0092 0.0645 0.0627
Loa Loa (eye worm) hypothetical protein 0.0005 0.0003 0.0017
Loa Loa (eye worm) RasGEF domain-containing protein 0.0007 0.0019 0.0124
Echinococcus granulosus COUP TF:Svp nuclear hormone receptor 0.001 0.0037 0.0284
Schistosoma mansoni cell adhesion molecule 0.001 0.0042 0.0171
Echinococcus granulosus ecdysone induced protein 78C 0.001 0.0037 0.0284
Wolbachia endosymbiont of Brugia malayi exonuclease III 0.0019 0.0104 0.5
Brugia malayi steroid hormone receptor 0.001 0.0037 0.0243
Echinococcus multilocularis FTZ F1 nuclear receptor protein 0.001 0.0037 0.0284
Schistosoma mansoni nuclear hormone receptor 0.001 0.0037 0.0151
Brugia malayi Nuclear hormone receptor family member nhr-19 0.001 0.0037 0.0243
Brugia malayi Nuclear hormone receptor family member nhr-49 0.001 0.0037 0.0243
Echinococcus multilocularis nuclear receptor 2DBD gamma 0.001 0.0037 0.0284
Brugia malayi Eukaryotic-type carbonic anhydrase family protein 0.0067 0.0462 0.3039
Echinococcus granulosus carbonic anhydrase II 0.0181 0.1305 1
Brugia malayi Nuclear hormone receptor family member nhr-1 0.001 0.0037 0.0243
Echinococcus multilocularis segment polarity protein dishevelled 0.001 0.0041 0.0313
Onchocerca volvulus 0.001 0.0041 0.0124
Mycobacterium tuberculosis Beta-carbonic anhydrase 0.1175 0.8676 1
Brugia malayi photoreceptor-specific nuclear receptor 0.001 0.0037 0.0243
Mycobacterium tuberculosis Beta-carbonic anhydrase CanB 0.0156 0.1123 0.1189
Echinococcus granulosus rap guanine nucleotide exchange factor 1 0.0007 0.0019 0.0144
Brugia malayi Putative carbonic anhydrase 5 precursor 0.0181 0.1305 0.8582
Schistosoma mansoni receptor tyrosine phosphatase type r2a 0.0006 0.0008 0.0033
Echinococcus granulosus FTZ F1 alpha 0.001 0.0037 0.0284
Echinococcus multilocularis neuroglian 0.0008 0.0021 0.0162
Loa Loa (eye worm) PLK/PLK1 protein kinase 0.0092 0.0645 0.4241
Schistosoma mansoni carbonic anhydrase-related 0.0067 0.0462 0.1888
Brugia malayi nuclear hormone receptor 0.001 0.0037 0.0243
Loa Loa (eye worm) hypothetical protein 0.001 0.0037 0.0243
Loa Loa (eye worm) hypothetical protein 0.0005 0.0003 0.0017
Treponema pallidum exodeoxyribonuclease (exoA) 0.0019 0.0104 0.5
Trypanosoma cruzi Sulfate transporter N-terminal domain with GLY motif/Sulfate transporter family, putative 0.0039 0.0256 0.1841
Trypanosoma cruzi polo-like protein kinase, putative 0.0092 0.0645 0.4867
Chlamydia trachomatis sulfate transporter 0.0039 0.0256 0.5
Loa Loa (eye worm) hypothetical protein 0.001 0.0037 0.0243
Schistosoma mansoni ecdysone-induced protein 78c (dr-78) 0.0005 0.0003 0.0011
Schistosoma mansoni serine/threonine protein kinase 0.0092 0.0645 0.2634
Plasmodium falciparum AP endonuclease (DNA-[apurinic or apyrimidinic site] lyase), putative 0.0019 0.0104 0.2245
Trypanosoma cruzi apurinic/apyrimidinic endonuclease, putative 0.0019 0.0104 0.066
Echinococcus multilocularis DNA (apurinic or apyrimidinic site) lyase 0.0019 0.0104 0.0795
Schistosoma mansoni carbonic anhydrase 0.0067 0.0462 0.1888
Loa Loa (eye worm) hypothetical protein 0.001 0.0037 0.0243
Loa Loa (eye worm) nuclear hormone receptor family member nhr-31 0.001 0.0037 0.0243
Brugia malayi Eukaryotic-type carbonic anhydrase family protein 0.0067 0.0462 0.3039
Schistosoma mansoni defective proboscis extension response (dpr)-related 0.0006 0.001 0.0039
Plasmodium falciparum inorganic anion exchanger, inorganic anion antiporter 0.0039 0.0256 0.5533
Toxoplasma gondii hypothetical protein 0.001 0.0041 0.0883
Onchocerca volvulus Segment polarity protein dishevelled homolog 0.001 0.0041 0.0124
Entamoeba histolytica exodeoxyribonuclease III, putative 0.0019 0.0104 0.035
Brugia malayi nuclear receptor NHR-88 0.001 0.0037 0.0243
Echinococcus multilocularis carbonic anhydrase 0.0067 0.0462 0.3541
Loa Loa (eye worm) hypothetical protein 0.001 0.0037 0.0243
Brugia malayi Domain found in Dishevelled, Egl-10, and Pleckstrin family protein 0.001 0.0041 0.0268
Brugia malayi Nuclear hormone receptor family member nhr-25 0.001 0.0037 0.0243
Echinococcus multilocularis Immunoglobulin 0.0006 0.001 0.0073
Loa Loa (eye worm) hypothetical protein 0.0008 0.0027 0.0178
Schistosoma mansoni retinoic acid receptor RXR 0.001 0.0037 0.0151
Loa Loa (eye worm) hypothetical protein 0.001 0.0041 0.0268
Schistosoma mansoni carbonic anhydrase-related 0.0067 0.0462 0.1888
Brugia malayi exodeoxyribonuclease III family protein 0.0019 0.0104 0.0682
Echinococcus granulosus neuroglian 0.0006 0.0008 0.0062
Echinococcus granulosus neurotracting:lsamp:neurotrimin:obcam 0.0008 0.0024 0.0186
Loa Loa (eye worm) hypothetical protein 0.0006 0.001 0.0063
Onchocerca volvulus Bile acid receptor homolog 0.001 0.0037 0.0103
Echinococcus granulosus segment polarity protein dishevelled 0.001 0.0041 0.0313
Loa Loa (eye worm) TK/KIN16 protein kinase 0.01 0.0706 0.4644
Trichomonas vaginalis ap endonuclease, putative 0.0019 0.0104 0.0085
Loa Loa (eye worm) hypothetical protein 0.0007 0.0019 0.0124
Echinococcus granulosus ras GTP exchange factor 0.0007 0.0019 0.0144
Echinococcus granulosus nuclear receptor 2DBD gamma 0.001 0.0037 0.0284
Echinococcus multilocularis Pleckstrin G protein, interacting region 0.001 0.0041 0.0313
Loa Loa (eye worm) DIX domain-containing protein 0.001 0.0041 0.0268
Toxoplasma gondii hypothetical protein 0.0067 0.0462 1
Brugia malayi Eukaryotic-type carbonic anhydrase family protein 0.0181 0.1305 0.8582
Echinococcus multilocularis COUP TF:Svp nuclear hormone receptor 0.001 0.0037 0.0284
Schistosoma mansoni regulator of G protein signaling 0.001 0.0041 0.0167
Trichomonas vaginalis conserved hypothetical protein 0.1353 1 1
Loa Loa (eye worm) carbonic anhydrase 3 0.0181 0.1305 0.8582
Loa Loa (eye worm) hypothetical protein 0.0006 0.001 0.0063
Entamoeba histolytica carbonic anhydrase, putative 0.0335 0.2447 1
Loa Loa (eye worm) hypothetical protein 0.0008 0.0027 0.0178
Brugia malayi Nuclear hormone receptor-like 1 0.0005 0.0003 0.0017
Loa Loa (eye worm) hypothetical protein 0.0006 0.001 0.0063
Onchocerca volvulus 0.001 0.0037 0.0103
Mycobacterium leprae CARBONIC ANHYDRASE (CARBONATE DEHYDRATASE) (CARBONIC DEHYDRATASE) 0.0335 0.2447 1
Echinococcus multilocularis Nuclear hormone receptor family member nhr 41 0.001 0.0037 0.0284
Giardia lamblia Kinase, PLK 0.0092 0.0645 1
Brugia malayi Domain found in Dishevelled, Egl-10, and Pleckstrin family protein 0.001 0.0041 0.0268
Brugia malayi RasGEF domain containing protein 0.0007 0.0019 0.0124
Loa Loa (eye worm) hypothetical protein 0.0008 0.0024 0.016
Brugia malayi hypothetical protein 0.0008 0.0027 0.0178
Brugia malayi N-terminal motif family protein 0.0007 0.0019 0.0124
Schistosoma mansoni carbonic anhydrase-related 0.0067 0.0462 0.1888
Schistosoma mansoni cell adhesion molecule 0.0006 0.0008 0.0033
Trichomonas vaginalis CAMK family protein kinase 0.0045 0.0301 0.0283
Brugia malayi regulator of G-protein signaling egl-10 0.001 0.0041 0.0268
Brugia malayi Ligand-binding domain of nuclear hormone receptor family protein 0.001 0.0037 0.0243
Echinococcus multilocularis ecdysone induced protein 78C 0.001 0.0037 0.0284
Loa Loa (eye worm) nuclear hormone receptor family member nhr-40 0.001 0.0037 0.0243
Brugia malayi Nuclear hormone receptor family member nhr-19 0.001 0.0037 0.0243
Loa Loa (eye worm) eukaryotic-type carbonic anhydrase 0.0181 0.1305 0.8582
Schistosoma mansoni ap endonuclease 0.0019 0.0104 0.0424
Echinococcus granulosus carbonic anhydrase 0.0067 0.0462 0.3541
Echinococcus multilocularis neuroglian 0.0006 0.0008 0.0062
Trichomonas vaginalis CAMK family protein kinase 0.0092 0.0645 0.0627
Brugia malayi Immunoglobulin I-set domain containing protein 0.0008 0.0027 0.0178
Loa Loa (eye worm) hypothetical protein 0.0067 0.0462 0.3039
Echinococcus granulosus retinoic acid receptor rxr beta a 0.001 0.0037 0.0284
Echinococcus multilocularis thyroid hormone receptor alpha 0.001 0.0037 0.0284
Leishmania major carbonic anhydrase family protein, putative 0.0335 0.2447 1
Onchocerca volvulus Serine\/threonine kinase homolog 0.0092 0.0645 0.3527
Trypanosoma cruzi carbonic anhydrase-like protein, putative 0.0181 0.1305 1
Mycobacterium ulcerans integral membrane transporter 0.0039 0.0256 0.0153
Schistosoma mansoni ras GTP exchange factor son of sevenless 0.0007 0.0019 0.0077
Brugia malayi nuclear receptor RXR 0.0005 0.0003 0.0017
Schistosoma mansoni guanine-nucleotide-exchange-factor 0.0007 0.0019 0.0077
Echinococcus multilocularis serine:threonine protein kinase PLK1 0.0092 0.0645 0.4941
Echinococcus multilocularis receptor type tyrosine protein phosphatase F 0.0006 0.0008 0.0062
Schistosoma mansoni carbonic anhydrase II (carbonate dehydratase II) 0.0181 0.1305 0.5331
Schistosoma mansoni thyroid hormone receptor 0.001 0.0037 0.0151
Brugia malayi serine/threonine-protein kinase plk-2 0.0092 0.0645 0.4241
Brugia malayi N-terminal motif family protein 0.0007 0.0019 0.0124
Echinococcus multilocularis rap guanine nucleotide exchange factor 1 0.0007 0.0019 0.0144
Echinococcus multilocularis hepatocyte nuclear factor 4 alpha 0.001 0.0037 0.0284
Echinococcus multilocularis receptor type tyrosine protein phosphatase 0.0006 0.0008 0.0062
Echinococcus granulosus Protein son of sevenless 0.0007 0.0019 0.0144
Brugia malayi Nuclear hormone receptor family member nhr-14 0.001 0.0037 0.0243
Schistosoma mansoni dep domain containing protein 0.001 0.0041 0.0167
Mycobacterium tuberculosis Probable conserved transmembrane protein 0.0285 0.2077 0.2302
Schistosoma mansoni carbonic anhydrase 0.0335 0.2447 1
Trypanosoma brucei carbonic anhydrase-like protein 0.0181 0.1305 1
Brugia malayi RasGEF domain containing protein 0.0007 0.0019 0.0124
Brugia malayi Nuclear hormone receptor family member nhr-3 0.001 0.0037 0.0243
Entamoeba histolytica serine/threonine protein kinase, putative 0.0092 0.0645 0.2577
Schistosoma mansoni fyve finger-containing phosphoinositide kinase fyv1 0.001 0.0041 0.0167
Echinococcus multilocularis contactin neuroglian septate junction protein 0.0006 0.0008 0.0062
Schistosoma mansoni steroid hormone receptor ad4bp 0.001 0.0037 0.0151
Loa Loa (eye worm) hypothetical protein 0.001 0.0036 0.0236
Echinococcus multilocularis regulator of G protein signaling 7 0.001 0.0041 0.0313
Trichomonas vaginalis CAMK family protein kinase 0.0092 0.0645 0.0627
Trichomonas vaginalis CAMK family protein kinase 0.0092 0.0645 0.0627
Brugia malayi Nuclear hormone receptor family member nhr-31 0.001 0.0037 0.0243
Loa Loa (eye worm) hypothetical protein 0.001 0.0037 0.0243
Loa Loa (eye worm) hypothetical protein 0.0005 0.0003 0.0017
Loa Loa (eye worm) eukaryotic-type carbonic anhydrase 0.0067 0.0462 0.3039
Echinococcus multilocularis regulator of G protein signaling 7 0.001 0.0041 0.0313
Echinococcus multilocularis Immunoglobulin 0.0006 0.001 0.0073
Echinococcus multilocularis FTZ F1 alpha 0.001 0.0037 0.0284
Echinococcus granulosus hepatocyte nuclear factor 4 alpha 0.001 0.0037 0.0284
Loa Loa (eye worm) hypothetical protein 0.001 0.0036 0.0236
Echinococcus multilocularis rap guanine nucleotide exchange factor 6 0.0007 0.0019 0.0144
Loa Loa (eye worm) hypothetical protein 0.021 0.152 1
Schistosoma mansoni retinoid-x-receptor (RXR) 0.0005 0.0003 0.0011
Onchocerca volvulus Rap guanine nucleotide exchange factor 1 homolog 0.021 0.152 0.8461
Loa Loa (eye worm) hypothetical protein 0.001 0.0041 0.0268
Loa Loa (eye worm) hypothetical protein 0.0005 0.0003 0.0017
Trypanosoma cruzi carbonic anhydrase-like protein, putative 0.0181 0.1305 1
Toxoplasma gondii exonuclease III APE 0.0019 0.0104 0.2245
Echinococcus granulosus regulator of G protein signaling 7 0.001 0.0041 0.0313
Schistosoma mansoni vesicular amine transporter 0.0006 0.001 0.0039
Loa Loa (eye worm) hypothetical protein 0.0008 0.0027 0.0178
Brugia malayi Immunoglobulin I-set domain containing protein 0.01 0.0706 0.4644
Onchocerca volvulus Tyrosine kinase homolog 0.0093 0.0657 0.3599
Echinococcus granulosus roundabout 2 0.0006 0.0008 0.0062
Brugia malayi Nuclear hormone receptor family member nhr-25 0.001 0.0037 0.0243
Mycobacterium ulcerans carbonic anhydrase 0.0335 0.2447 0.2368
Echinococcus granulosus roundabout 2 0.0006 0.0008 0.0062
Brugia malayi Nuclear hormone receptor-like 1 0.001 0.0037 0.0243
Echinococcus multilocularis carbonic anhydrase II 0.0181 0.1305 1
Loa Loa (eye worm) nuclear hormone receptor family member nhr-49 0.001 0.0037 0.0243
Brugia malayi Immunoglobulin I-set domain containing protein 0.0006 0.0008 0.0053
Loa Loa (eye worm) nuclear hormone receptor family member nhr-41 0.001 0.0037 0.0243
Onchocerca volvulus 0.0247 0.1793 1
Onchocerca volvulus Protein ultraspiracle homolog 0.001 0.0037 0.0103
Brugia malayi Fibronectin type III domain containing protein 0.0008 0.0027 0.0178
Echinococcus multilocularis son of sevenless 1 0.0007 0.0019 0.0144
Echinococcus granulosus segment polarity protein dishevelled 0.001 0.0041 0.0313
Echinococcus multilocularis roundabout 2 0.0006 0.0008 0.0062
Trypanosoma brucei Sulfate transporter N-terminal domain with GLY motif/Sulfate transporter family, putative 0.0039 0.0256 0.1264
Brugia malayi Immunoglobulin I-set domain containing protein 0.0006 0.0008 0.0053
Trichomonas vaginalis conserved hypothetical protein 0.1353 1 1
Leishmania major protein kinase, putative,polo-like protein kinase, putative 0.0092 0.0645 0.2634
Loa Loa (eye worm) hypothetical protein 0.001 0.0037 0.0243
Echinococcus granulosus DNA apurinic or apyrimidinic site lyase 0.0019 0.0104 0.0795
Loa Loa (eye worm) exodeoxyribonuclease III family protein 0.0019 0.0104 0.0682
Leishmania major apurinic/apyrimidinic endonuclease-redox protein 0.0019 0.0104 0.0424
Brugia malayi Steroid receptor seven-up type 2 0.001 0.0037 0.0243
Echinococcus multilocularis carbonic anhydrase 0.0067 0.0462 0.3541
Onchocerca volvulus Steroid hormone receptor family member cnr14 homolog 0.001 0.0037 0.0103
Schistosoma mansoni ras GTP exchange factor son of sevenless 0.0007 0.0019 0.0077
Schistosoma mansoni nuclear receptor 2DBD-gamma 0.001 0.0037 0.0151
Loa Loa (eye worm) nuclear Hormone Receptor family member 0.001 0.0037 0.0243
Brugia malayi hypothetical protein 0.0005 0.0003 0.0017
Echinococcus multilocularis Protein son of sevenless 0.0007 0.0019 0.0144
Schistosoma mansoni ap endonuclease 0.0019 0.0104 0.0424
Echinococcus multilocularis roundabout 2 0.0006 0.0008 0.0062
Loa Loa (eye worm) CAMK/MLCK protein kinase 0.0006 0.001 0.0068
Brugia malayi ecdysteroid receptor 0.001 0.0037 0.0243
Toxoplasma gondii inorganic anion transporter, sulfate permease (SulP) family protein 0.0039 0.0256 0.5533
Trypanosoma cruzi Sulfate transporter N-terminal domain with GLY motif/Sulfate transporter family, putative 0.0039 0.0256 0.1841
Echinococcus granulosus twitchin 0.0008 0.0023 0.0179
Schistosoma mansoni camp-dependent rap1 guanine-nucleotide exchange factor 0.0007 0.0016 0.0066
Echinococcus granulosus nuclear receptor subfamily 1 group D 0.0005 0.0003 0.002
Echinococcus multilocularis segment polarity protein dishevelled 0.001 0.0041 0.0313
Echinococcus granulosus Pleckstrin G protein interacting region 0.001 0.0041 0.0313
Loa Loa (eye worm) hypothetical protein 0.0007 0.0019 0.0124
Mycobacterium tuberculosis Probable transmembrane carbonic anhydrase (carbonate dehydratase) (carbonic dehydratase) 0.0463 0.3401 0.3847
Schistosoma mansoni photoreceptor-specific nuclear receptor related 0.001 0.0037 0.0151
Echinococcus granulosus Immunoglobulin 0.0006 0.001 0.0073
Leishmania major carbonic anhydrase-like protein 0.0181 0.1305 0.5331
Echinococcus granulosus nuclear receptor 2DBD gamma 0.001 0.0037 0.0284
Onchocerca volvulus Putative sulfate transporter 0.0247 0.1793 1
Loa Loa (eye worm) hypothetical protein 0.001 0.0037 0.0243
Brugia malayi N-terminal motif family protein 0.021 0.152 1
Loa Loa (eye worm) hypothetical protein 0.0005 0.0003 0.0017
Brugia malayi Carbonic anhydrase like protein 2 precursor 0.0067 0.0462 0.3039
Schistosoma mansoni RAR-like nuclear receptor 0.001 0.0037 0.0151
Schistosoma mansoni ras GTP exchange factor son of sevenless 0.0007 0.0019 0.0077
Brugia malayi hypothetical protein 0.001 0.0041 0.0268
Schistosoma mansoni dishevelled 0.001 0.0041 0.0167
Loa Loa (eye worm) hypothetical protein 0.001 0.0041 0.0268
Schistosoma mansoni hypothetical protein 0.0067 0.0462 0.1888
Loa Loa (eye worm) G protein signaling regulator EGL-10 0.001 0.0041 0.0268
Brugia malayi Nuclear hormone receptor family member nhr-41 0.001 0.0037 0.0243
Echinococcus granulosus son of sevenless 1 0.0007 0.0019 0.0144
Loa Loa (eye worm) nuclear hormone receptor-like 1 0.0005 0.0003 0.0017
Echinococcus multilocularis nuclear receptor 2DBD gamma 0.001 0.0037 0.0284
Schistosoma mansoni FTZ-F1 nuclear receptor-like protein 0.001 0.0037 0.0151
Schistosoma mansoni ras GTP exchange factor 0.0007 0.0019 0.0077
Mycobacterium ulcerans transmembrane carbonic anhydrase, SulP 0.0039 0.0256 0.0153
Echinococcus granulosus serine:threonine protein kinase PLK1 0.0092 0.0645 0.4941
Loa Loa (eye worm) RasGEF domain-containing protein 0.0007 0.0019 0.0124
Brugia malayi Carbonic anhydrase like protein 2 precursor 0.0067 0.0462 0.3039
Plasmodium vivax sulfate transporter, putative 0.0039 0.0256 1
Schistosoma mansoni thyroid hormone receptor 0.001 0.0037 0.0151
Trichomonas vaginalis CAMK family protein kinase 0.0092 0.0645 0.0627
Mycobacterium ulcerans transmembrane carbonic anhydrase, SulP 0.0039 0.0256 0.0153

Activities

Activity type Activity value Assay description Source Reference
Ki (binding) = 6.7 nM Inhibition of human recombinant CA2 by stopped flow CO2 hydration assay ChEMBL. 19438226
Ki (binding) = 25.1 nM Inhibition of Mycobacterium tuberculosis recombinant carbonic anhydrase Rv1284 by by stopped flow CO2 hydration assay ChEMBL. 19438226
Ki (binding) = 33 nM inhibition of Candida albicans recombinant Nce103 after 15 mins by stopped-flow CO2 hydration assay ChEMBL. 20299219
Ki (binding) = 35.3 nM Inhibition of human recombinant CA1 by stopped flow CO2 hydration assay ChEMBL. 19438226
Ki (binding) = 100 nM Inhibition of Mycobacterium tuberculosis recombinant carbonic anhydrase Rv3273 by by stopped flow CO2 hydration assay ChEMBL. 19438226
Kinact (binding) = 9.3 nM Inhibition of human CA9 catalytic domain by CO2 hydration stopped-flow assay ChEMBL. 19410461
Kinact (binding) = 25.1 nM Inhibition of human recombinant CA1 by CO2 hydration stopped-flow assay ChEMBL. 19410461
Kinact (binding) = 58 nM Inhibition of human CA12 catalytic domain by CO2 hydration stopped-flow assay ChEMBL. 19410461
Kinact (binding) = 100 nM Inhibition of human recombinant CA2 by CO2 hydration stopped-flow assay ChEMBL. 19410461

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

3 literature references were collected for this gene.

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