Detailed information for compound 1474874

Basic information

Technical information
  • TDR Targets ID: 1474874
  • Name: 3-(4-fluorophenyl)-1-(4-sulfamoylphenyl)urea
  • MW: 309.316 | Formula: C13H12FN3O3S
  • H donors: 3 H acceptors: 3 LogP: 1.15 Rotable bonds: 5
    Rule of 5 violations (Lipinski): 1
  • SMILES: O=C(Nc1ccc(cc1)F)Nc1ccc(cc1)S(=O)(=O)N
  • InChi: 1S/C13H12FN3O3S/c14-9-1-3-10(4-2-9)16-13(18)17-11-5-7-12(8-6-11)21(15,19)20/h1-8H,(H2,15,19,20)(H2,16,17,18)
  • InChiKey: YJQZNWPYLCNRLP-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

  • T5403654
  • NSC213841
  • ZINC01752601
  • 4-(((4-Fluoroanilino)carbonyl)amino)benzenesulfonamide
  • AIDS-128097
  • AIDS128097

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Homo sapiens carbonic anhydrase II Starlite/ChEMBL References
Homo sapiens carbonic anhydrase XII Starlite/ChEMBL References
Mycobacterium tuberculosis Probable transmembrane carbonic anhydrase (carbonate dehydratase) (carbonic dehydratase) References
Homo sapiens carbonic anhydrase IX Starlite/ChEMBL References
Mycobacterium tuberculosis Beta-carbonic anhydrase References
Homo sapiens carbonic anhydrase I Starlite/ChEMBL References

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Leishmania mexicana carbonic anhydrase-like protein Get druggable targets OG5_127628 All targets in OG5_127628
Loa Loa (eye worm) eukaryotic-type carbonic anhydrase 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 congolense Sulfate transporter N-terminal domain with GLY motif/Sulfate transporter family, putative Get druggable targets OG5_129533 All targets in OG5_129533
Plasmodium yoelii sulfate permease family 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
Chlamydia trachomatis sulfate transporter Get druggable targets OG5_129533 All targets in OG5_129533
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
Brugia malayi Eukaryotic-type carbonic anhydrase family protein Get druggable targets OG5_127628 All targets in OG5_127628
Schistosoma mansoni carbonic anhydrase II (carbonate dehydratase II) Get druggable targets OG5_127628 All targets in OG5_127628
Trypanosoma brucei 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
Mycobacterium ulcerans carbonic anhydrase Get druggable targets OG5_135410 All targets in OG5_135410
Trypanosoma congolense hypothetical protein, conserved 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
Mycobacterium ulcerans transmembrane carbonic anhydrase, SulP 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 brucei gambiense carbonic anhydrase-like protein Get druggable targets OG5_127628 All targets in OG5_127628
Brugia malayi Putative carbonic anhydrase 5 precursor Get druggable targets OG5_127628 All targets in OG5_127628
Neospora caninum hypothetical protein 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
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
Candida albicans 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 tuberculosis Probable conserved transmembrane protein Get druggable targets OG5_129533 All targets in OG5_129533
Trypanosoma brucei Sulfate transporter N-terminal domain with GLY motif/Sulfate transporter family, 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
Leishmania infantum 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
Plasmodium vivax sulfate transporter, putative 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 carbonic anhydrase-like protein 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
Trypanosoma brucei gambiense hypothetical protein, conserved 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 japonicum ko:K01672 carbonic anhydrase [EC4.2.1.1], putative 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
Theileria parva 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
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
Echinococcus granulosus carbonic anhydrase II Get druggable targets OG5_127628 All targets in OG5_127628
Schistosoma mansoni carbonic anhydrase II (carbonate dehydratase II) 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
Loa Loa (eye worm) carbonic anhydrase 3 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
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 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
Echinococcus multilocularis phosphatidylinositol 4 phosphate 3 kinase C2 0.1588 0.3911 0.3897
Trichomonas vaginalis PIKK family atypical protein kinase 0.0133 0.0082 0.0103
Trichomonas vaginalis PIKK family atypical protein kinase 0.0123 0.0056 0.0058
Trypanosoma cruzi phosphatidylinositol 3-kinase 2, putative 0.2264 0.569 1
Loa Loa (eye worm) hypothetical protein 0.0134 0.0086 0.0095
Trypanosoma brucei target of rapamycin kinase 3, putative 0.0133 0.0082 0.0434
Trypanosoma cruzi phosphatidylinositol 3-kinase 2, putative 0.2264 0.569 1
Echinococcus multilocularis phosphatidylinositol 4,5 bisphosphate 3 kinase 0.3901 1 1
Trichomonas vaginalis phosphatidylinositol 4-kinase, putative 0.0337 0.062 0.1051
Trichomonas vaginalis phopsphatidylinositol 3-kinase, drosophila, putative 0.2264 0.569 1
Loa Loa (eye worm) phosphatidylinositol 3 0.3426 0.8751 1
Mycobacterium tuberculosis Beta-carbonic anhydrase 0.1175 0.2825 1
Echinococcus granulosus FKBP12 rapamycin complex associated protein 0.0143 0.0108 0.0085
Trypanosoma brucei phosphatidylinositol 3-kinase, putative 0.0823 0.19 1
Echinococcus multilocularis Zinc finger, PHD finger 0.0349 0.0651 0.0628
Entamoeba histolytica phosphatidylinositol-4,5-bisphosphate 3-kinase, putative 0.0337 0.062 0.0916
Entamoeba histolytica phosphatidylinositol 3-kinase, putative 0.0823 0.19 0.3209
Trypanosoma brucei Phosphatidylinositol 3-kinase tor1 0.0143 0.0108 0.0571
Brugia malayi Eukaryotic-type carbonic anhydrase family protein 0.0134 0.0086 0.0109
Trypanosoma cruzi phosphatidylinositol 4-kinase alpha, putative 0.0337 0.062 0.1051
Loa Loa (eye worm) hypothetical protein 0.0774 0.1769 0.2019
Trichomonas vaginalis phosphatidylinositol 3-kinase catalytic subunit gamma, putative 0.2264 0.569 1
Toxoplasma gondii phosphatidylinositol 3- and 4-kinase 0.0349 0.0651 1
Loa Loa (eye worm) phosphatidylinositol 3 0.0143 0.0108 0.0121
Echinococcus granulosus phosphatidylinositol 4 phosphate 3 kinase C2 0.1588 0.3911 0.3897
Trichomonas vaginalis PIKK family atypical protein kinase 0.0121 0.005 0.0046
Entamoeba histolytica phosphatidylinositol 3-kinase, putative 0.2264 0.569 1
Entamoeba histolytica phosphatidylinositol 3-kinase, putative 0.0909 0.2126 0.3614
Trichomonas vaginalis phosphatidylinositol 3-kinase class, putative 0.0349 0.0651 0.1106
Onchocerca volvulus 0.0247 0.0382 0.5
Trichomonas vaginalis PIKK family atypical protein kinase 0.0123 0.0056 0.0058
Leishmania major target of rapamycin (TOR) kinase 1, putative 0.0143 0.0108 0.1349
Trichomonas vaginalis phosphatidylinositol 3-kinase catalytic subunit alpha, beta, delta, putative 0.1585 0.3905 0.6849
Leishmania major target of rapamycin kinase (TOR) kinase 3 0.0133 0.0082 0.0935
Trichomonas vaginalis PIKK family atypical protein kinase 0.013 0.0076 0.0092
Trypanosoma brucei phosphatidylinositol 4-kinase, putative 0.0143 0.0108 0.0571
Echinococcus granulosus phosphatidylinositol 4 kinase alpha 0.0337 0.062 0.0597
Giardia lamblia Phosphoinositide-3-kinase, catalytic, alpha polypeptide 0.1111 0.2656 1
Trypanosoma brucei phosphatidylinositol 4-kinase alpha, putative 0.0337 0.062 0.3261
Schistosoma mansoni phosphatidylinositol 4-kinase 0.0337 0.062 0.0597
Trypanosoma cruzi phosphatidylinositol 4-kinase alpha, putative 0.0337 0.062 0.1051
Trypanosoma cruzi target of rapamycin kinase 3 0.0133 0.0082 0.0103
Loa Loa (eye worm) eukaryotic-type carbonic anhydrase 0.0248 0.0385 0.0437
Trichomonas vaginalis PIKK family atypical protein kinase 0.0121 0.005 0.0046
Trichomonas vaginalis PIKK family atypical protein kinase 0.0121 0.005 0.0046
Trichomonas vaginalis PIKK family atypical protein kinase 0.013 0.0076 0.0092
Brugia malayi Phosphatidylinositol 3- and 4-kinase family protein 0.2264 0.569 1
Giardia lamblia Phosphoinositide-3-kinase, class 3 0.0557 0.1197 0.4274
Echinococcus multilocularis carbonic anhydrase II 0.0248 0.0385 0.0362
Trichomonas vaginalis conserved hypothetical protein 0.1234 0.2981 0.5219
Mycobacterium ulcerans carbonic anhydrase 0.1234 0.2981 0.5
Leishmania major phosphatidylinositol 3-kinase, putative 0.0349 0.0651 1
Trichomonas vaginalis PIKK family atypical protein kinase 0.0117 0.0041 0.0031
Trichomonas vaginalis phosphatidylinositol kinase, putative 0.0337 0.062 0.1051
Schistosoma mansoni phosphatidylinositol-45-bisphosphate 3-kinase catalytic subunit alpha PI3K 0.3901 1 1
Trichomonas vaginalis conserved hypothetical protein 0.1234 0.2981 0.5219
Schistosoma mansoni phosphatidylinositol-45-bisphosphate 3-kinase catalytic subunit alpha PI3K 0.0349 0.0651 0.0628
Loa Loa (eye worm) carbonic anhydrase 3 0.0248 0.0385 0.0437
Plasmodium vivax phosphatidylinositol 3-kinase, putative 0.0349 0.0651 0.5
Trichomonas vaginalis phosphatidylinositol 3-kinase class, putative 0.1585 0.3905 0.6849
Mycobacterium leprae Probable transmembrane transport protein 0.0285 0.0482 0.5
Brugia malayi Carbonic anhydrase like protein 2 precursor 0.0134 0.0086 0.0109
Leishmania major carbonic anhydrase-like protein 0.0248 0.0385 0.576
Plasmodium falciparum phosphatidylinositol 3-kinase 0.0349 0.0651 1
Toxoplasma gondii hypothetical protein 0.0134 0.0086 0.0174
Brugia malayi Phosphatidylinositol 3- and 4-kinase family protein 0.0823 0.19 0.3311
Trichomonas vaginalis PIKK family atypical protein kinase 0.0143 0.0108 0.0149
Trichomonas vaginalis PIKK family atypical protein kinase 0.0133 0.0082 0.0103
Trypanosoma cruzi phosphatidylinositol 3-kinase vps34-like 0.0823 0.19 0.3311
Loa Loa (eye worm) hypothetical protein 0.0134 0.0086 0.0095
Trichomonas vaginalis PIKK family atypical protein kinase 0.0133 0.0082 0.0103
Trichomonas vaginalis PIKK family atypical protein kinase 0.013 0.0076 0.0092
Schistosoma mansoni carbonic anhydrase II (carbonate dehydratase II) 0.0248 0.0385 0.0362
Brugia malayi Eukaryotic-type carbonic anhydrase family protein 0.0248 0.0385 0.0637
Trichomonas vaginalis PIKK family atypical protein kinase 0.0133 0.0082 0.0103
Echinococcus multilocularis carbonic anhydrase 0.0134 0.0086 0.0062
Trichomonas vaginalis phosphatidylinositol 3-kinase catalytic subunit alpha, beta, delta, putative 0.0823 0.19 0.3311
Mycobacterium tuberculosis Probable transmembrane carbonic anhydrase (carbonate dehydratase) (carbonic dehydratase) 0.0344 0.0639 0.0669
Schistosoma mansoni hypothetical protein 0.0134 0.0086 0.0062
Trichomonas vaginalis PIKK family atypical protein kinase 0.0121 0.005 0.0046
Brugia malayi Phosphatidylinositol 3- and 4-kinase family protein 0.1593 0.3924 0.6883
Trypanosoma brucei carbonic anhydrase-like protein 0.0248 0.0385 0.2026
Loa Loa (eye worm) phosphatidylinositol 3 0.0111 0.0024 0.0024
Loa Loa (eye worm) phosphatidylinositol 4-kinase type 3 alpha isoform 1 0.0337 0.062 0.0705
Trypanosoma cruzi carbonic anhydrase-like protein, putative 0.0248 0.0385 0.0637
Trichomonas vaginalis PIKK family atypical protein kinase 0.0121 0.005 0.0046
Echinococcus granulosus carbonic anhydrase 0.0134 0.0086 0.0062
Echinococcus granulosus carbonic anhydrase II 0.0248 0.0385 0.0362
Trichomonas vaginalis PIKK family atypical protein kinase 0.0121 0.005 0.0046
Trichomonas vaginalis PIKK family atypical protein kinase 0.013 0.0076 0.0092
Trypanosoma cruzi phosphatidylinositol 3-kinase, putative 0.0742 0.1684 0.293
Echinococcus multilocularis FKBP12 rapamycin complex associated protein 0.0143 0.0108 0.0085
Leishmania major hypothetical protein, conserved 0.018 0.0205 0.2891
Echinococcus granulosus carbonic anhydrase 0.0134 0.0086 0.0062
Brugia malayi Phosphatidylinositol 3- and 4-kinase family protein 0.0143 0.0108 0.0149
Trypanosoma brucei FAT domain/Rapamycin binding domain/Phosphatidylinositol 3- and 4-kinase, putative 0.0107 0.0015 0.0079
Trichomonas vaginalis PIKK family atypical protein kinase 0.012 0.0047 0.0042
Trypanosoma cruzi carbonic anhydrase-like protein, putative 0.0248 0.0385 0.0637
Echinococcus granulosus DNA dependent protein kinase catalytic subunit 0.0357 0.0673 0.0651
Echinococcus multilocularis phosphatidylinositol 4 kinase alpha 0.0337 0.062 0.0597
Schistosoma mansoni carbonic anhydrase II (carbonate dehydratase II) 0.0248 0.0385 0.0362
Echinococcus granulosus phosphatidylinositol 3 kinase catalytic subunit 0.0349 0.0651 0.0628
Trichomonas vaginalis phosphatidylinositol 3-kinase class, putative 0.0823 0.19 0.3311
Leishmania major target of rapamycin (TOR) kinase 2, putative 0.0143 0.0108 0.1349
Trichomonas vaginalis PIKK family atypical protein kinase 0.0121 0.005 0.0046
Schistosoma mansoni carbonic anhydrase 0.0134 0.0086 0.0062
Entamoeba histolytica phosphatidylinositol 4-kinase, putative 0.0337 0.062 0.0916
Trichomonas vaginalis PIKK family atypical protein kinase 0.0115 0.0035 0.0019
Loa Loa (eye worm) hypothetical protein 0.1588 0.3911 0.4468
Loa Loa (eye worm) eukaryotic-type carbonic anhydrase 0.0134 0.0086 0.0095
Brugia malayi Eukaryotic-type carbonic anhydrase family protein 0.0134 0.0086 0.0109
Trichomonas vaginalis phosphatidylinositol kinase, putative 0.2264 0.569 1
Brugia malayi Carbonic anhydrase like protein 2 precursor 0.0134 0.0086 0.0109
Echinococcus multilocularis DNA dependent protein kinase catalytic subunit 0.0357 0.0673 0.0651
Entamoeba histolytica hypothetical protein 0.1789 0.4441 0.7762
Trichomonas vaginalis PIKK family atypical protein kinase 0.013 0.0076 0.0092
Echinococcus multilocularis carbonic anhydrase 0.0134 0.0086 0.0062
Trichomonas vaginalis PIKK family atypical protein kinase 0.0143 0.0108 0.0149
Leishmania major phosphatidylinositol 4-kinase alpha, putative 0.0337 0.062 0.9505
Trichomonas vaginalis PIKK family atypical protein kinase 0.0143 0.0108 0.0149
Schistosoma mansoni phosphatidylinositol-45-bisphosphate 3-kinase catalytic subunit alpha PI3K 0.0914 0.2139 0.212
Onchocerca volvulus Putative sulfate transporter 0.0247 0.0382 0.5
Trypanosoma brucei phosphatidylinositol 3-related kinase, putative 0.0111 0.0024 0.0126
Trichomonas vaginalis PIKK family atypical protein kinase 0.013 0.0076 0.0092
Schistosoma mansoni carbonic anhydrase-related 0.0134 0.0086 0.0062
Loa Loa (eye worm) phosphatidylinositol 3 0.0742 0.1684 0.1922
Trichomonas vaginalis PIKK family atypical protein kinase 0.0115 0.0035 0.0019
Trichomonas vaginalis PIKK family atypical protein kinase 0.0127 0.0067 0.0077
Entamoeba histolytica phosphatidylinositol 3-kinase 1, putative 0.2182 0.5475 0.9614
Echinococcus granulosus carbonic anhydrase 0.0134 0.0086 0.0062
Trichomonas vaginalis PIKK family atypical protein kinase 0.0133 0.0082 0.0103
Schistosoma mansoni carbonic anhydrase-related 0.0134 0.0086 0.0062
Trypanosoma brucei phosphatidylinositol 3-kinase, putative 0.0111 0.0024 0.0126
Toxoplasma gondii phosphatidylinositol 3- and 4-kinase 0.0337 0.062 0.9461
Brugia malayi Putative carbonic anhydrase 5 precursor 0.0248 0.0385 0.0637
Schistosoma mansoni carbonic anhydrase-related 0.0134 0.0086 0.0062
Trichomonas vaginalis PIKK family atypical protein kinase 0.0115 0.0035 0.0019
Brugia malayi phosphatidylinositol 4-kinase, catalytic, alpha polypeptide 0.0337 0.062 0.1051
Trypanosoma cruzi Phosphatidylinositol 3-kinase tor2 0.0143 0.0108 0.0149
Schistosoma mansoni ataxia telangiectasia mutated (atm)-related 0.0143 0.0108 0.0085
Entamoeba histolytica phosphatidylinositol 3-kinase, putative 0.1789 0.4441 0.7762
Trypanosoma cruzi Phosphatidylinositol 3-kinase tor1 0.0143 0.0108 0.0149
Brugia malayi Eukaryotic-type carbonic anhydrase family protein 0.0134 0.0086 0.0109
Brugia malayi phosphoinositide 3'-hydroxykinase p110-alpha subunit, putative 0.1637 0.4042 0.7091
Entamoeba histolytica phosphatidylinositol 3-kinase, putative 0.1015 0.2405 0.4114
Loa Loa (eye worm) hypothetical protein 0.0134 0.0086 0.0095
Trichomonas vaginalis PIKK family atypical protein kinase 0.013 0.0076 0.0092
Trichomonas vaginalis phosphatidylinositol kinase, putative 0.0823 0.19 0.3311
Echinococcus multilocularis carbonic anhydrase 0.0134 0.0086 0.0062

Activities

Activity type Activity value Assay description Source Reference
Ki (binding) = 4.5 nM Inhibition of tumor-associated human carbonic anhydrase 12 preincubated for 15 min by CO2 hydration assay ChEMBL. 21361354
Ki (binding) = 4.5 nM Inhibition of human carbonic anhydrase 12 preincubated for 15 mins by stopped flow CO2 hydration method ChEMBL. 26233435
Ki (binding) = 4.5 nM Inhibition of human carbonic anhydrase 12 for 15 mins by stopped flow CO2 hydration assay ChEMBL. 26810836
Ki (binding) = 4.5 nM Inhibition of recombinant human carbonic anhydrase 12 incubated for 15 mins prior to testing by stopped flow carbon dioxide hydrase assay ChEMBL. 26840366
Ki (binding) = 6.4 nM Inhibition of Mycobacterium tuberculosis recombinant beta-carbonic anhydrase Rv1284 preincubated for 15 mins by stopped-flow CO2 hydrase assay ChEMBL. 21145236
Ki (binding) = 45 nM Inhibition of human carbonic anhydrase 9 preincubated for 15 mins by stopped flow CO2 hydration method ChEMBL. 26233435
Ki (binding) = 45 nM Inhibition of human carbonic anhydrase 9 for 15 mins by stopped flow CO2 hydration assay ChEMBL. 26810836
Ki (binding) = 45 nM Inhibition of human recombinant CA9 preincubated for 15 mins prior to testing by stopped flow CO2 hydrase assay ChEMBL. 27234893
Ki (binding) = 45.1 nM Inhibition of tumor-associated human carbonic anhydrase 9 preincubated for 15 min by CO2 hydration assay ChEMBL. 21361354
Ki (binding) = 45.1 nM Inhibition of recombinant human carbonic anhydrase 9 incubated for 15 mins prior to testing by stopped flow carbon dioxide hydrase assay ChEMBL. 26840366
Ki (binding) = 53 nM Inhibition of Mycobacterium tuberculosis recombinant beta-carbonic anhydrase Rv3273 preincubated for 15 mins by stopped-flow CO2 hydrase assay ChEMBL. 21145236
Ki (binding) = 96 nM Inhibition of human recombinant carbonic anhydrase 2 preincubated for 15 mins by stopped-flow CO2 hydrase assay ChEMBL. 21145236
Ki (binding) = 96 nM Inhibition of human cytosolic carbonic anhydrase 2 preincubated for 15 min by CO2 hydration assay ChEMBL. 21361354
Ki (binding) = 960 nM Inhibition of human carbonic anhydrase 2 preincubated for 15 mins by stopped flow CO2 hydration method ChEMBL. 26233435
Ki (binding) = 960 nM Inhibition of human carbonic anhydrase 2 for 15 mins by stopped flow CO2 hydration assay ChEMBL. 26810836
Ki (binding) = 960 nM Inhibition of human recombinant CA2 preincubated for 15 mins prior to testing by stopped flow CO2 hydrase assay ChEMBL. 27234893
Ki (binding) = 5080 nM Inhibition of human cytosolic carbonic anhydrase 1 preincubated for 15 min by CO2 hydration assay ChEMBL. 21361354
Ki (binding) = 5080 nM Inhibition of human carbonic anhydrase 1 preincubated for 15 mins by stopped flow CO2 hydration method ChEMBL. 26233435
Ki (binding) = 5080 nM Inhibition of human carbonic anhydrase 1 for 15 mins by stopped flow CO2 hydration assay ChEMBL. 26810836
Ki (binding) = 5080 nM Inhibition of human recombinant CA1 preincubated for 15 mins prior to testing by stopped flow CO2 hydrase assay ChEMBL. 27234893

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

6 literature references were collected for this gene.

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