Detailed information for compound 1217910

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 552.96 | Formula: C23H22ClFN4O7S
  • H donors: 4 H acceptors: 7 LogP: 6.42 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(c1c1ccc(cc1)F)cc(cc2)S(=O)(=O)N
  • InChi: 1S/C23H21FN4O3S.ClHO4/c1-13-10-14(2)28(15(3)11-13)27-23(29)22-21(16-4-6-17(24)7-5-16)19-12-18(32(25,30)31)8-9-20(19)26-22;2-1(3,4)5/h4-12H,1-3H3,(H3-,25,26,27,29,30,31);(H,2,3,4,5)
  • InChiKey: HBXBBHXUSQPMDP-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 II Starlite/ChEMBL References
Mycobacterium tuberculosis Beta-carbonic anhydrase References
Homo sapiens carbonic anhydrase I Starlite/ChEMBL References
Candida albicans Involved in protection against oxidative damage Starlite/ChEMBL 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
Leishmania major 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
Babesia bovis sulfate transporter, putative 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
Brugia malayi Eukaryotic-type carbonic anhydrase family protein 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
Trypanosoma cruzi Sulfate transporter N-terminal domain with GLY motif/Sulfate transporter family, 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
Leishmania braziliensis carbonic anhydrase family protein, 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
Trypanosoma brucei Sulfate transporter N-terminal domain with GLY motif/Sulfate transporter family, putative Get druggable targets OG5_129533 All targets in OG5_129533
Plasmodium falciparum inorganic anion exchanger, inorganic anion antiporter 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
Schistosoma japonicum ko:K01672 carbonic anhydrase [EC4.2.1.1], putative Get druggable targets OG5_127503 All targets in OG5_127503
Schistosoma japonicum ko:K01672 carbonic anhydrase [EC4.2.1.1], putative Get druggable targets OG5_127628 All targets in OG5_127628
Mycobacterium tuberculosis Probable transmembrane carbonic anhydrase (carbonate dehydratase) (carbonic dehydratase) 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
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
Mycobacterium tuberculosis Probable conserved transmembrane protein Get druggable targets OG5_129533 All targets in OG5_129533
Mycobacterium leprae Probable transmembrane transport protein Get druggable targets OG5_129533 All targets in OG5_129533
Leishmania infantum carbonic anhydrase family protein, 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 Putative carbonic anhydrase 5 precursor 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 hypothetical protein Get druggable targets OG5_135410 All targets in OG5_135410
Echinococcus multilocularis carbonic anhydrase II Get druggable targets OG5_127628 All targets in OG5_127628
Schistosoma mansoni carbonic anhydrase Get druggable targets OG5_127503 All targets in OG5_127503
Trypanosoma cruzi carbonic anhydrase-like protein, putative Get druggable targets OG5_127628 All targets in OG5_127628
Leishmania mexicana carbonic anhydrase family protein, putative Get druggable targets OG5_127503 All targets in OG5_127503
Entamoeba histolytica carbonic anhydrase, putative 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
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
Chlamydia trachomatis sulfate transporter 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
Neospora caninum hypothetical protein 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
Mycobacterium ulcerans carbonic anhydrase 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
Leishmania mexicana 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
Plasmodium yoelii sulfate permease family protein Get druggable targets OG5_129533 All targets in OG5_129533
Mycobacterium ulcerans carbonic anhydrase Get druggable targets OG5_127503 All targets in OG5_127503
Trypanosoma congolense Sulfate transporter N-terminal domain with GLY motif/Sulfate transporter family, putative Get druggable targets OG5_129533 All targets in OG5_129533
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
Trypanosoma congolense carbonic anhydrase-like protein Get druggable targets OG5_127628 All targets in OG5_127628
Plasmodium berghei inorganic anion antiporter, 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
Leishmania donovani carbonic anhydrase-like protein 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
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
Leishmania major carbonic anhydrase family protein, putative Get druggable targets OG5_127503 All targets in OG5_127503
Plasmodium vivax 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
Trypanosoma brucei gambiense 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
Schistosoma mansoni carbonic anhydrase II (carbonate dehydratase II) Get druggable targets OG5_127628 All targets in OG5_127628
By sequence similarity to non orthologous known druggable targets
Species Potential target Known druggable target Length Alignment span Identity
Brugia malayi Carbonic anhydrase like protein 2 precursor carbonic anhydrase II 260 aa 259 aa 32.0 %
Trypanosoma brucei carbonic anhydrase-like protein carbonic anhydrase I 261 aa 281 aa 25.3 %
Obtained from network model

Ranking Plot

Putative Targets List

Species Potential target Raw Global Species
Brugia malayi Eukaryotic-type carbonic anhydrase family protein 0.0067 0.0413 0.2691
Plasmodium vivax sulfate transporter, putative 0.0039 0.0206 1
Trichomonas vaginalis DNA helicase recq1, putative 0.0047 0.0261 0.0164
Schistosoma mansoni hypothetical protein 0.0067 0.0413 0.1051
Trypanosoma cruzi Sulfate transporter N-terminal domain with GLY motif/Sulfate transporter family, putative 0.0039 0.0206 0.092
Toxoplasma gondii ATP-dependent DNA helicase, RecQ family protein 0.0019 0.0057 0.0000000018354
Echinococcus multilocularis Basic leucine zipper (bZIP) transcription 0.0041 0.0219 0.0558
Brugia malayi nuclear hormone receptor 0.0022 0.0078 0.0506
Trypanosoma brucei carbonic anhydrase-like protein 0.0181 0.126 1
Trypanosoma brucei Sulfate transporter N-terminal domain with GLY motif/Sulfate transporter family, putative 0.0039 0.0206 0.092
Schistosoma mansoni coup transcription factor 0.0022 0.0078 0.0198
Schistosoma mansoni hypothetical protein 0.0539 0.3932 1
Echinococcus granulosus nuclear receptor 2DBD gamma 0.0022 0.0078 0.0198
Echinococcus granulosus FTZ F1 nuclear receptor protein 0.0022 0.0078 0.0198
Schistosoma mansoni carbonic anhydrase-related 0.0067 0.0413 0.1051
Brugia malayi Nuclear hormone receptor family member nhr-41 0.0022 0.0078 0.0506
Loa Loa (eye worm) hypothetical protein 0.0022 0.0078 0.0506
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0049 0.028 0.0712
Loa Loa (eye worm) nuclear hormone receptor family member nhr-1 0.0022 0.0078 0.0506
Entamoeba histolytica hypothetical protein 0.0041 0.0219 0.0521
Schistosoma mansoni hypothetical protein 0.0539 0.3932 1
Brugia malayi Nuclear hormone receptor family member nhr-19 0.0022 0.0078 0.0506
Schistosoma mansoni thyroid hormone receptor 0.0022 0.0078 0.0198
Brugia malayi steroid hormone receptor 0.0022 0.0078 0.0506
Schistosoma mansoni thyroid hormone receptor 0.0022 0.0078 0.0198
Brugia malayi Nuclear hormone receptor family member nhr-25 0.0022 0.0078 0.0506
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0049 0.028 0.0712
Mycobacterium leprae CARBONIC ANHYDRASE (CARBONATE DEHYDRATASE) (CARBONIC DEHYDRATASE) 0.0335 0.2408 1
Brugia malayi Eukaryotic-type carbonic anhydrase family protein 0.0181 0.126 0.8207
Echinococcus granulosus retinoic acid receptor rxr beta a 0.0022 0.0078 0.0198
Leishmania major carbonic anhydrase family protein, putative 0.0335 0.2408 1
Onchocerca volvulus 0.0247 0.1751 0.995
Trichomonas vaginalis conserved hypothetical protein 0.1353 1 1
Schistosoma mansoni histone-lysine n-methyltransferase suv9 0.0031 0.0146 0.037
Echinococcus multilocularis nuclear receptor 2DBD gamma 0.0022 0.0078 0.0198
Giardia lamblia Sgs1 DNA helicase, putative 0.0019 0.0057 0.5
Echinococcus multilocularis carbonic anhydrase II 0.0181 0.126 0.3204
Schistosoma mansoni retinoid-x-receptor (RXR) 0.0022 0.0078 0.0198
Brugia malayi Putative carbonic anhydrase 5 precursor 0.0181 0.126 0.8207
Loa Loa (eye worm) hypothetical protein 0.0022 0.0078 0.0506
Echinococcus multilocularis geminin 0.0539 0.3932 1
Schistosoma mansoni nuclear receptor 2DBD-gamma 0.0022 0.0078 0.0198
Echinococcus granulosus Nuclear hormone receptor family member nhr 41 0.0022 0.0078 0.0198
Onchocerca volvulus 0.0031 0.0146 0.0404
Brugia malayi Eukaryotic-type carbonic anhydrase family protein 0.0067 0.0413 0.2691
Echinococcus multilocularis nuclear receptor 2DBD gamma 0.0022 0.0078 0.0198
Plasmodium falciparum ADP-dependent DNA helicase RecQ 0.0041 0.0219 0.4547
Trypanosoma cruzi Sulfate transporter N-terminal domain with GLY motif/Sulfate transporter family, putative 0.0039 0.0206 0.092
Echinococcus granulosus 5'partial|histone lysine N methyltransferase SETDB2 0.003 0.0137 0.0349
Schistosoma mansoni retinoic acid receptor RXR 0.0022 0.0078 0.0198
Brugia malayi Nuclear hormone receptor family member nhr-19 0.0022 0.0078 0.0506
Echinococcus multilocularis Nuclear hormone receptor family member nhr 41 0.0022 0.0078 0.0198
Brugia malayi ATP-dependent DNA helicase, RecQ family protein 0.0019 0.0057 0.0369
Echinococcus multilocularis ecdysone induced protein 78C 0.0022 0.0078 0.0198
Brugia malayi Pre-SET motif family protein 0.0031 0.0146 0.0948
Echinococcus granulosus hepatocyte nuclear factor 4 alpha 0.0022 0.0078 0.0198
Brugia malayi Nuclear hormone receptor family member nhr-14 0.0022 0.0078 0.0506
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0049 0.028 0.0712
Brugia malayi photoreceptor-specific nuclear receptor 0.0022 0.0078 0.0506
Schistosoma mansoni RAR-like nuclear receptor 0.0022 0.0078 0.0198
Echinococcus granulosus Basic leucine zipper bZIP transcription 0.0041 0.0219 0.0558
Loa Loa (eye worm) nuclear hormone receptor family member nhr-49 0.0022 0.0078 0.0506
Echinococcus multilocularis histone lysine methyltransferase setb histone lysine methyltransferase eggless 0.0031 0.0146 0.037
Loa Loa (eye worm) hypothetical protein 0.0022 0.0078 0.0506
Toxoplasma gondii inorganic anion transporter, sulfate permease (SulP) family protein 0.0039 0.0206 0.4183
Loa Loa (eye worm) GTP-binding regulatory protein Gs alpha-S chain 0.0049 0.028 0.1823
Brugia malayi Nuclear hormone receptor family member nhr-31 0.0022 0.0078 0.0506
Schistosoma mansoni transcription factor LCR-F1 0.0041 0.0219 0.0558
Loa Loa (eye worm) hypothetical protein 0.0067 0.0413 0.2691
Schistosoma mansoni hypothetical protein 0.0041 0.0219 0.0558
Plasmodium vivax ADP-dependent DNA helicase RecQ, putative 0.0032 0.0148 0.0436
Brugia malayi nuclear receptor NHR-88 0.0022 0.0078 0.0506
Toxoplasma gondii histone lysine methyltransferase SET/SUV39 0.0031 0.0146 0.2498
Loa Loa (eye worm) hypothetical protein 0.0067 0.0413 0.2691
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0031 0.0146 0.037
Echinococcus granulosus bloom syndrome protein 0.0047 0.0261 0.0664
Loa Loa (eye worm) hypothetical protein 0.0031 0.0146 0.0948
Loa Loa (eye worm) hypothetical protein 0.0037 0.0191 0.1241
Plasmodium falciparum carbonic anhydrase 0.0067 0.0413 1
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0049 0.028 0.0712
Plasmodium falciparum inorganic anion exchanger, inorganic anion antiporter 0.0039 0.0206 0.4183
Echinococcus multilocularis thyroid hormone receptor alpha 0.0022 0.0078 0.0198
Loa Loa (eye worm) nuclear hormone receptor family member nhr-40 0.0022 0.0078 0.0506
Brugia malayi Carbonic anhydrase like protein 2 precursor 0.0067 0.0413 0.2691
Trichomonas vaginalis conserved hypothetical protein 0.1353 1 1
Toxoplasma gondii ATP-dependent DNA helicase, RecQ family protein 0.0031 0.0145 0.2493
Leishmania major carbonic anhydrase-like protein 0.0181 0.126 0.5028
Echinococcus multilocularis FTZ F1 alpha 0.0022 0.0078 0.0198
Onchocerca volvulus Putative sulfate transporter 0.0247 0.1751 0.995
Loa Loa (eye worm) ATP-dependent DNA helicase 0.0019 0.0057 0.0369
Brugia malayi Steroid receptor seven-up type 2 0.0022 0.0078 0.0506
Mycobacterium tuberculosis Beta-carbonic anhydrase 0.1175 0.8669 1
Entamoeba histolytica hypothetical protein 0.0041 0.0219 0.0521
Loa Loa (eye worm) nuclear hormone receptor family member nhr-31 0.0022 0.0078 0.0506
Schistosoma mansoni carbonic anhydrase II (carbonate dehydratase II) 0.0181 0.126 0.3204
Loa Loa (eye worm) nuclear hormone receptor family member nhr-14 0.0022 0.0078 0.0506
Schistosoma mansoni carbonic anhydrase 0.0335 0.2408 0.6125
Brugia malayi Nuclear hormone receptor family member nhr-40 0.0022 0.0078 0.0506
Loa Loa (eye worm) hypothetical protein 0.0019 0.0057 0.0369
Echinococcus granulosus COUP TF:Svp nuclear hormone receptor 0.0022 0.0078 0.0198
Schistosoma mansoni carbonic anhydrase II (carbonate dehydratase II) 0.0181 0.126 0.3204
Loa Loa (eye worm) eukaryotic-type carbonic anhydrase 0.0181 0.126 0.8207
Brugia malayi Ligand-binding domain of nuclear hormone receptor family protein 0.0022 0.0078 0.0506
Mycobacterium tuberculosis Probable transmembrane carbonic anhydrase (carbonate dehydratase) (carbonic dehydratase) 0.0463 0.3367 0.3016
Loa Loa (eye worm) carbonic anhydrase 3 0.0181 0.126 0.8207
Mycobacterium tuberculosis Probable conserved transmembrane protein 0.0285 0.2036 0.1263
Brugia malayi Nuclear hormone receptor-like 1 0.0022 0.0078 0.0506
Brugia malayi Nuclear hormone receptor family member nhr-3 0.0022 0.0078 0.0506
Echinococcus multilocularis histone lysine N methyltransferase SETMAR 0.0031 0.0146 0.037
Trypanosoma cruzi carbonic anhydrase-like protein, putative 0.0181 0.126 1
Schistosoma mansoni FTZ-F1 nuclear receptor-like protein 0.0022 0.0078 0.0198
Brugia malayi Nuclear hormone receptor family member nhr-1 0.0022 0.0078 0.0506
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0031 0.0146 0.037
Trichomonas vaginalis set domain proteins, putative 0.0248 0.176 0.1677
Echinococcus granulosus ATP dependent DNA helicase Q5 0.0019 0.0057 0.0144
Loa Loa (eye worm) hypothetical protein 0.0022 0.0078 0.0506
Schistosoma mansoni steroid hormone receptor ad4bp 0.0022 0.0078 0.0198
Brugia malayi Eukaryotic-type carbonic anhydrase family protein 0.0067 0.0413 0.2691
Loa Loa (eye worm) hypothetical protein 0.0022 0.0078 0.0506
Echinococcus granulosus carbonic anhydrase 0.0067 0.0413 0.1051
Schistosoma mansoni photoreceptor-specific nuclear receptor related 0.0022 0.0078 0.0198
Schistosoma mansoni DNA helicase recq1 0.0019 0.0057 0.0144
Echinococcus multilocularis COUP TF:Svp nuclear hormone receptor 0.0022 0.0078 0.0198
Schistosoma mansoni carbonic anhydrase 0.0067 0.0413 0.1051
Brugia malayi Carbonic anhydrase like protein 2 precursor 0.0067 0.0413 0.2691
Echinococcus multilocularis hepatocyte nuclear factor 4 alpha 0.0022 0.0078 0.0198
Brugia malayi Bloom's syndrome protein homolog 0.0047 0.0261 0.17
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0049 0.028 0.0712
Loa Loa (eye worm) nuclear hormone receptor family member nhr-41 0.0022 0.0078 0.0506
Brugia malayi Cytochrome P450 family protein 0.0028 0.0123 0.0799
Echinococcus multilocularis carbonic anhydrase 0.0067 0.0413 0.1051
Entamoeba histolytica hypothetical protein 0.0041 0.0219 0.0521
Schistosoma mansoni nuclear hormone receptor 0.0022 0.0078 0.0198
Brugia malayi Nuclear hormone receptor family member nhr-49 0.0022 0.0078 0.0506
Echinococcus multilocularis carbonic anhydrase 0.0067 0.0413 0.1051
Echinococcus granulosus ATP dependent DNA helicase Q1 0.0019 0.0057 0.0144
Loa Loa (eye worm) eukaryotic-type carbonic anhydrase 0.0067 0.0413 0.2691
Loa Loa (eye worm) cytochrome P450 family protein 0.0028 0.0123 0.0799
Echinococcus multilocularis FTZ F1 nuclear receptor protein 0.0022 0.0078 0.0198
Entamoeba histolytica carbonic anhydrase, putative 0.0335 0.2408 1
Mycobacterium ulcerans carbonic anhydrase 0.0335 0.2408 0.2249
Schistosoma mansoni DNA helicase recq5 0.0019 0.0057 0.0144
Echinococcus granulosus carbonic anhydrase II 0.0181 0.126 0.3204
Schistosoma mansoni nuclear hormone receptor nor-1/nor-2 0.0022 0.0078 0.0198
Brugia malayi Nuclear hormone receptor family member nhr-25 0.0022 0.0078 0.0506
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0049 0.028 0.0712
Echinococcus granulosus nuclear receptor 2DBD gamma 0.0022 0.0078 0.0198
Loa Loa (eye worm) nuclear Hormone Receptor family member 0.0022 0.0078 0.0506
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0031 0.0146 0.037
Loa Loa (eye worm) hypothetical protein 0.0022 0.0078 0.0506
Brugia malayi Pre-SET motif family protein 0.0218 0.1536 1
Loa Loa (eye worm) hypothetical protein 0.0067 0.0413 0.2691
Echinococcus multilocularis ATP dependent DNA helicase Q5 0.0019 0.0057 0.0144
Toxoplasma gondii hypothetical protein 0.0067 0.0413 1
Schistosoma mansoni carbonic anhydrase-related 0.0067 0.0413 0.1051
Echinococcus granulosus carbonic anhydrase 0.0067 0.0413 0.1051
Echinococcus multilocularis ATP dependent DNA helicase Q1 0.0019 0.0057 0.0144
Schistosoma mansoni blooms syndrome DNA helicase 0.0037 0.0188 0.0477
Echinococcus granulosus FTZ F1 alpha 0.0022 0.0078 0.0198
Brugia malayi Ligand-binding domain of nuclear hormone receptor family protein 0.0022 0.0078 0.0506
Schistosoma mansoni carbonic anhydrase-related 0.0067 0.0413 0.1051
Trypanosoma cruzi carbonic anhydrase-like protein, putative 0.0181 0.126 1
Entamoeba histolytica hypothetical protein 0.0041 0.0219 0.0521
Chlamydia trachomatis sulfate transporter 0.0039 0.0206 0.5
Brugia malayi hypothetical protein 0.0041 0.0219 0.1428
Schistosoma mansoni Tr4/Tr2 (homologue) 0.0022 0.0078 0.0198
Echinococcus granulosus geminin 0.0539 0.3932 1
Loa Loa (eye worm) pre-SET domain-containing protein family protein 0.0218 0.1536 1
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0049 0.028 0.0712
Echinococcus multilocularis bloom syndrome protein 0.0047 0.0261 0.0664
Trichomonas vaginalis DNA helicase recq, putative 0.0047 0.0261 0.0164
Loa Loa (eye worm) steroid hormone receptor 0.0022 0.0078 0.0506
Echinococcus granulosus histone lysine methyltransferase setb 0.0031 0.0146 0.037
Echinococcus granulosus carbonic anhydrase 0.0067 0.0413 0.1051
Loa Loa (eye worm) RecQ helicase 0.0047 0.0261 0.17
Brugia malayi GTP-binding regulatory protein Gs alpha-S chain, putative 0.0049 0.028 0.1823
Onchocerca volvulus 0.0248 0.176 1
Brugia malayi ATP-dependent DNA helicase, RecQ family protein 0.0019 0.0057 0.0369
Loa Loa (eye worm) hypothetical protein 0.0022 0.0078 0.0506
Brugia malayi ecdysteroid receptor 0.0022 0.0078 0.0506
Loa Loa (eye worm) hypothetical protein 0.0022 0.0078 0.0506
Echinococcus granulosus ecdysone induced protein 78C 0.0022 0.0078 0.0198
Echinococcus multilocularis carbonic anhydrase 0.0067 0.0413 0.1051

Activities

Activity type Activity value Assay description Source Reference
Ki (binding) = 6.5 nM Inhibition of human recombinant CA2 by stopped flow CO2 hydration assay ChEMBL. 19438226
Ki (binding) = 7.6 nM Inhibition of Mycobacterium tuberculosis recombinant carbonic anhydrase Rv1284 by by stopped flow CO2 hydration assay ChEMBL. 19438226
Ki (binding) = 9.7 nM Inhibition of human recombinant CA1 by stopped flow CO2 hydration assay ChEMBL. 19438226
Ki (binding) = 21 nM inhibition of Candida albicans recombinant Nce103 after 15 mins by stopped-flow CO2 hydration assay ChEMBL. 20299219
Ki (binding) = 65 nM Inhibition of Mycobacterium tuberculosis recombinant carbonic anhydrase Rv3273 by by stopped flow CO2 hydration assay ChEMBL. 19438226
Kinact (binding) = 7.6 nM Inhibition of human recombinant CA1 by CO2 hydration stopped-flow assay ChEMBL. 19410461
Kinact (binding) = 8.3 nM Inhibition of human CA9 catalytic domain by CO2 hydration stopped-flow assay ChEMBL. 19410461
Kinact (binding) = 9.5 nM Inhibition of human CA12 catalytic domain by CO2 hydration stopped-flow assay ChEMBL. 19410461
Kinact (binding) = 65 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.
 
In any case, if you have information about papers containing relevant validation data for this target, please log in using your TDR Targets username and password and send them to us using the corresponding form in this page (only visible to registered users) or contact us.

External resources for this compound

Bibliographic References

3 literature references were collected for this gene.

If you have references for this compound, please enter them in a user comment (below) or Contact us.