Detailed information for compound 1086595

Basic information

Technical information
  • TDR Targets ID: 1086595
  • Name: 2-(3-chloro-4-hydroxyphenyl)acetamide
  • MW: 185.608 | Formula: C8H8ClNO2
  • H donors: 2 H acceptors: 2 LogP: 1.01 Rotable bonds: 2
    Rule of 5 violations (Lipinski): 1
  • SMILES: NC(=O)Cc1ccc(c(c1)Cl)O
  • InChi: 1S/C8H8ClNO2/c9-6-3-5(4-8(10)12)1-2-7(6)11/h1-3,11H,4H2,(H2,10,12)
  • InChiKey: ORFVLZDPZCEXSD-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

  • 2-(3-chloro-4-hydroxy-phenyl)acetamide
  • 2-(3-chloro-4-hydroxy-phenyl)ethanamide
  • MEGxm0_000090
  • ACon1_000315

Targets

Known targets for this compound

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

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Mycobacterium leprae Probable transmembrane transport protein Get druggable targets OG5_129533 All targets in OG5_129533
Leishmania donovani 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
Neospora caninum hypothetical protein Get druggable targets OG5_129533 All targets in OG5_129533
Candida albicans Involved in protection against oxidative damage Get druggable targets OG5_127503 All targets in OG5_127503
Toxoplasma gondii inorganic anion transporter, sulfate permease (SulP) family protein 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
Mycobacterium ulcerans transmembrane carbonic anhydrase, SulP Get druggable targets OG5_129533 All targets in OG5_129533
Candida albicans hypothetical protein Get druggable targets OG5_135410 All targets in OG5_135410
Leishmania major carbonic anhydrase family protein, putative 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
Candida albicans hypothetical protein Get druggable targets OG5_135410 All targets in OG5_135410
Leishmania mexicana carbonic anhydrase family protein, putative Get druggable targets OG5_127503 All targets in OG5_127503
Plasmodium berghei inorganic anion antiporter, putative 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 tuberculosis Probable conserved transmembrane protein 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
Mycobacterium tuberculosis Beta-carbonic anhydrase Get druggable targets OG5_135410 All targets in OG5_135410
Candida albicans Involved in protection against oxidative damage 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
Mycobacterium tuberculosis Beta-carbonic anhydrase CanB 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_127503 All targets in OG5_127503
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
Mycobacterium leprae CARBONIC ANHYDRASE (CARBONATE DEHYDRATASE) (CARBONIC DEHYDRATASE) 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 ulcerans integral membrane transporter 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
Leishmania infantum carbonic anhydrase family protein, putative Get druggable targets OG5_127503 All targets in OG5_127503
Plasmodium knowlesi sulfate transporter, putative 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 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 carbonic anhydrase Get druggable targets OG5_127503 All targets in OG5_127503
Babesia bovis sulfate transporter, putative 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
Mycobacterium tuberculosis Probable transmembrane carbonic anhydrase (carbonate dehydratase) (carbonic dehydratase) 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
Trypanosoma brucei 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
By sequence similarity to non orthologous known druggable targets
No druggable targets predicted by sequence similarity
Obtained from network model

Ranking Plot

Putative Targets List

Species Potential target Raw Global Species
Loa Loa (eye worm) hypothetical protein 0.0155 0.093 0.2179
Schistosoma mansoni hypothetical protein 0.0049 0.0198 0.0453
Trichomonas vaginalis chromobox protein, putative 0.0041 0.0143 0.0111
Trichomonas vaginalis chromobox protein, putative 0.0068 0.033 0.0298
Leishmania major aldehyde dehydrogenase, mitochondrial precursor 0.019 0.1166 0.2813
Schistosoma mansoni alpha glucosidase 0.0039 0.013 0.0284
Trypanosoma brucei tyrosyl-DNA Phosphodiesterase (Tdp1), putative 0.0078 0.0396 0.3306
Mycobacterium tuberculosis NAD(P)H quinone reductase LpdA 0.0094 0.0507 0.0501
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0097 0.0529 0.1037
Loa Loa (eye worm) glutathione reductase 0.0037 0.0115 0.027
Trypanosoma brucei ATP-dependent 6-phosphofructokinase, glycosomal 0.0107 0.0594 0.5102
Toxoplasma gondii inorganic anion transporter, sulfate permease (SulP) family protein 0.0039 0.013 0.086
Trichomonas vaginalis conserved hypothetical protein 0.0047 0.0183 0.015
Schistosoma mansoni bromodomain containing protein 0.0073 0.0362 0.0857
Loa Loa (eye worm) hypothetical protein 0.0111 0.0627 0.147
Loa Loa (eye worm) hypothetical protein 0.0057 0.0256 0.0599
Entamoeba histolytica tyrosyl-DNA phosphodiesterase, putative 0.0078 0.0396 0.0902
Mycobacterium tuberculosis Probable phosphoglycerate kinase Pgk 0.0185 0.1132 0.1298
Schistosoma mansoni sex comb on midleg homolog 0.0055 0.0238 0.0552
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0097 0.0529 0.127
Loa Loa (eye worm) abnormal chemotaxis protein 14 0.0047 0.0183 0.0429
Schistosoma mansoni 6-phosphofructokinase 0.0107 0.0594 0.143
Chlamydia trachomatis phosphoglycerate kinase 0.0185 0.1132 1
Trypanosoma brucei PAB1-binding protein , putative 0.0026 0.0041 0.0072
Trichomonas vaginalis phosphofructokinase, putative 0.0107 0.0594 0.0563
Loa Loa (eye worm) hypothetical protein 0.0463 0.305 0.715
Plasmodium falciparum phosphoglycerate kinase 0.0185 0.1132 1
Brugia malayi 6-phosphofructokinase 0.0107 0.0594 0.1325
Trypanosoma cruzi PAS-domain containing phosphoglycerate kinase, putative 0.0068 0.0327 0.2674
Leishmania major hypothetical protein, conserved 0.0026 0.0041 0.002
Mycobacterium ulcerans integral membrane transporter 0.0039 0.013 0.0013
Onchocerca volvulus 0.0247 0.1558 0.3103
Trichomonas vaginalis phosphofructokinase, putative 0.0029 0.0058 0.0025
Entamoeba histolytica phosphofructokinase, putative 0.0107 0.0594 0.1392
Brugia malayi Glycosyl hydrolases family 31 protein 0.0039 0.013 0.0229
Mycobacterium tuberculosis Probable membrane NADH dehydrogenase NdhA 0.0085 0.0442 0.0418
Leishmania major ATP-dependent phosphofructokinase 0.0107 0.0594 0.1392
Brugia malayi Cytochrome P450 family protein 0.0037 0.0117 0.0199
Loa Loa (eye worm) hypothetical protein 0.0185 0.1132 0.2654
Schistosoma mansoni hypothetical protein 0.0094 0.0511 0.1224
Echinococcus granulosus chaperonin containing TCP1 subunit 2 beta 0.0025 0.0033 0.0036
Loa Loa (eye worm) T-complex protein 1 0.0025 0.0033 0.0077
Brugia malayi C2-HC type zinc finger protein C.e-MyT1 0.0063 0.0291 0.0609
Toxoplasma gondii phosphoglycerate kinase PGKII 0.0185 0.1132 0.97
Chlamydia trachomatis sulfate transporter 0.0039 0.013 0.0673
Trypanosoma brucei phosphoglycerate kinase 0.0185 0.1132 1
Trichomonas vaginalis phosphofructokinase, putative 0.0029 0.0058 0.0025
Trypanosoma brucei trypanothione reductase 0.0037 0.0115 0.0748
Echinococcus granulosus bromodomain adjacent to zinc finger domain 0.0041 0.0145 0.0262
Trypanosoma brucei glucosidase, putative 0.0039 0.013 0.0883
Trichomonas vaginalis phosphofructokinase, putative 0.0107 0.0594 0.0563
Trypanosoma cruzi cytochrome P450, putative 0.0037 0.0117 0.0766
Plasmodium vivax thioredoxin reductase, putative 0.0037 0.0115 0.0748
Mycobacterium ulcerans short chain dehydrogenase 0.0548 0.3633 0.3558
Loa Loa (eye worm) hypothetical protein 0.0044 0.0164 0.0385
Echinococcus granulosus Protein patched homolog 1 0.0047 0.0183 0.0338
Echinococcus multilocularis aldehyde dehydrogenase, mitochondrial 0.019 0.1166 0.2323
Toxoplasma gondii aldehyde dehydrogenase 0.019 0.1166 1
Loa Loa (eye worm) pigment dispersing factor receptor c 0.0155 0.093 0.2179
Brugia malayi mbt repeat family protein 0.0055 0.0238 0.0485
Loa Loa (eye worm) hypothetical protein 0.0049 0.0198 0.0465
Echinococcus multilocularis chromobox protein 1 0.0068 0.033 0.0636
Mycobacterium tuberculosis Probable NADH dehydrogenase Ndh 0.0085 0.0442 0.0418
Entamoeba histolytica glycosyl hydrolase, family 31 protein 0.0039 0.013 0.0241
Onchocerca volvulus 0.015 0.0892 0.1718
Echinococcus granulosus tar DNA binding protein 0.0128 0.0741 0.1464
Brugia malayi Cytochrome P450 family protein 0.0037 0.0117 0.0199
Echinococcus multilocularis tar DNA binding protein 0.0128 0.0741 0.1464
Mycobacterium leprae PROBABLE 6-PHOSPHOFRUCTOKINASE PFKA (PHOSPHOHEXOKINASE) (PHOSPHOFRUCTOKINASE) 0.0107 0.0594 0.0418
Onchocerca volvulus 0.0102 0.0564 0.1035
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0111 0.0627 0.1512
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0097 0.0529 0.1037
Loa Loa (eye worm) hypothetical protein 0.0106 0.0591 0.1386
Loa Loa (eye worm) RNA binding protein 0.0128 0.0741 0.1736
Schistosoma mansoni hypothetical protein 0.0049 0.0198 0.0453
Trichomonas vaginalis alpha-glucosidase, putative 0.0039 0.013 0.0097
Echinococcus granulosus GPCR family 2 0.0049 0.0198 0.037
Leishmania major alpha glucosidase II subunit, putative 0.0039 0.013 0.0241
Trichomonas vaginalis neutral alpha-glucosidase ab precursor, putative 0.0039 0.013 0.0097
Schistosoma mansoni patched 1 0.0047 0.0183 0.0414
Entamoeba histolytica phosphofructokinase, putative 0.0107 0.0594 0.1392
Toxoplasma gondii phosphoglycerate kinase PGKI 0.0185 0.1132 0.97
Leishmania major PAS-domain containing phosphoglycerate kinase, putative 0.0068 0.0327 0.0729
Echinococcus multilocularis expressed conserved protein 0.0103 0.0567 0.1114
Trypanosoma brucei phosphoglycerate kinase 0.0068 0.0327 0.2674
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0111 0.0627 0.1512
Loa Loa (eye worm) glycosyl hydrolase family 31 protein 0.0039 0.013 0.0305
Echinococcus multilocularis GPCR, family 2 0.0049 0.0198 0.037
Schistosoma mansoni phosphoglycerate kinase 0.0185 0.1132 0.276
Loa Loa (eye worm) cytochrome P450 family protein 0.0037 0.0117 0.0275
Mycobacterium leprae DIHYDROLIPOAMIDE DEHYDROGENASE LPD (LIPOAMIDE REDUCTASE (NADH)) (LIPOYL DEHYDROGENASE) (DIHYDROLIPOYL DEHYDROGENASE) (DIAPHORASE 0.0094 0.0507 0.018
Loa Loa (eye worm) hypothetical protein 0.015 0.0892 0.2092
Schistosoma mansoni aldehyde dehydrogenase 0.019 0.1166 0.2844
Plasmodium falciparum ATP-dependent 6-phosphofructokinase 0.0029 0.0058 0.0228
Plasmodium vivax SET domain protein, putative 0.0092 0.0492 0.4175
Mycobacterium ulcerans aldehyde dehydrogenase 0.019 0.1166 0.1061
Schistosoma mansoni hypothetical protein 0.0045 0.0171 0.0386
Echinococcus multilocularis transcription factor Dp 1 0.0045 0.017 0.0313
Echinococcus multilocularis histone lysine methyltransferase setb histone lysine methyltransferase eggless 0.0111 0.0627 0.1235
Schistosoma mansoni hypothetical protein 0.0045 0.0171 0.0386
Wolbachia endosymbiont of Brugia malayi phosphoglycerate kinase 0.0185 0.1132 0.5
Schistosoma mansoni histone-lysine n-methyltransferase suv9 0.0103 0.0569 0.1368
Mycobacterium tuberculosis Probable reductase 0.0085 0.0442 0.0418
Trichomonas vaginalis conserved hypothetical protein 0.0038 0.0123 0.0091
Mycobacterium ulcerans transmembrane carbonic anhydrase, SulP 0.0039 0.013 0.0013
Brugia malayi Phosphoglycerate kinase 0.0068 0.0327 0.0694
Plasmodium falciparum ataxin-2 like protein, putative 0.0026 0.0041 0.0072
Echinococcus multilocularis suppression of tumorigenicity 18 protein 0.0063 0.0291 0.0556
Loa Loa (eye worm) hypothetical protein 0.0082 0.0421 0.0987
Trypanosoma cruzi ATP-dependent 6-phosphofructokinase, glycosomal 0.0107 0.0594 0.5102
Trypanosoma cruzi tyrosyl-DNA Phosphodiesterase (Tdp1), putative 0.0078 0.0396 0.3306
Mycobacterium tuberculosis Probable aldehyde dehydrogenase 0.019 0.1166 0.1341
Plasmodium vivax phosphoglycerate kinase, putative 0.0185 0.1132 1
Brugia malayi Glycosyl hydrolases family 31 protein 0.0177 0.1078 0.2468
Onchocerca volvulus Polycomb protein Sfmbt homolog 0.0055 0.0238 0.0358
Echinococcus granulosus histone lysine methyltransferase setb 0.0111 0.0627 0.1235
Toxoplasma gondii LsmAD domain-containing protein 0.0026 0.0041 0.0069
Leishmania major tyrosyl-DNA phosphodiesterase 1 0.0078 0.0396 0.0902
Echinococcus granulosus chromobox protein 1 0.0068 0.033 0.0636
Echinococcus multilocularis thioredoxin glutathione reductase 0.0038 0.0119 0.0209
Brugia malayi GTP-binding regulatory protein Gs alpha-S chain, putative 0.0097 0.0529 0.1172
Brugia malayi Bromodomain containing protein 0.0086 0.0455 0.0997
Loa Loa (eye worm) mbt repeat family protein 0.0055 0.0238 0.0559
Loa Loa (eye worm) GTP-binding regulatory protein Gs alpha-S chain 0.0097 0.0529 0.124
Leishmania major phosphoglycerate kinase B, cytosolic 0.0185 0.1132 0.2728
Trichomonas vaginalis phosphoglycerate kinase, putative 0.0185 0.1132 0.1103
Schistosoma mansoni sex comb on midleg homolog 0.0055 0.0238 0.0552
Brugia malayi Niemann-Pick C1 protein precursor 0.0109 0.0613 0.1369
Mycobacterium tuberculosis Beta-carbonic anhydrase 0.1175 0.795 1
Brugia malayi Pre-SET motif family protein 0.0092 0.0492 0.1084
Loa Loa (eye worm) PHD-finger family protein 0.0024 0.0024 0.0055
Trypanosoma cruzi PAB1-binding protein , putative 0.0026 0.0041 0.0072
Echinococcus multilocularis tumor protein p63 0.0742 0.497 1
Brugia malayi PHD-finger family protein 0.0029 0.0058 0.0058
Schistosoma mansoni hypothetical protein 0.0024 0.0024 0.0021
Schistosoma mansoni hypothetical protein 0.0045 0.0171 0.0386
Schistosoma mansoni tyrosyl-DNA phosphodiesterase 0.0078 0.0396 0.0942
Trichomonas vaginalis maltase-glucoamylase, putative 0.0039 0.013 0.0097
Echinococcus multilocularis protein patched 0.0047 0.0183 0.0338
Mycobacterium ulcerans aldehyde dehydrogenase 0.019 0.1166 0.1061
Trichomonas vaginalis conserved hypothetical protein 0.1472 1 1
Brugia malayi Thioredoxin reductase 0.0037 0.0115 0.0194
Loa Loa (eye worm) glycosyl hydrolase family 31 protein 0.0177 0.1078 0.2526
Loa Loa (eye worm) cytochrome P450 family protein 0.004 0.0132 0.0309
Schistosoma mansoni alpha-glucosidase 0.0152 0.0908 0.2207
Schistosoma mansoni niemann-pick C1 (NPC1) 0.0111 0.0624 0.1505
Mycobacterium tuberculosis Probable oxidoreductase 0.0094 0.0507 0.0501
Trypanosoma cruzi cytochrome P450, putative 0.0037 0.0117 0.0766
Schistosoma mansoni hypothetical protein 0.0049 0.0198 0.0453
Echinococcus granulosus phosphoglycerate kinase 1 0.0185 0.1132 0.2254
Echinococcus granulosus histone acetyltransferase MYST2 0.0063 0.0291 0.0556
Echinococcus granulosus neutral alpha glucosidase AB 0.0039 0.013 0.0232
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.0155 0.093 0.2119
Trichomonas vaginalis conserved hypothetical protein 0.0038 0.0123 0.0091
Echinococcus multilocularis bromodomain adjacent to zinc finger domain 0.0041 0.0145 0.0262
Loa Loa (eye worm) phosphofructokinase 0.0107 0.0594 0.1392
Leishmania major carbonic anhydrase family protein, putative 0.061 0.4062 1
Plasmodium falciparum inorganic anion exchanger, inorganic anion antiporter 0.0039 0.013 0.0886
Trypanosoma cruzi hypothetical protein, conserved 0.0039 0.013 0.0883
Echinococcus multilocularis bromodomain adjacent to zinc finger domain 0.0069 0.0334 0.0643
Echinococcus multilocularis 6 phosphofructokinase 0.0107 0.0594 0.1168
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0097 0.0529 0.127
Trichomonas vaginalis phosphofructokinase, putative 0.0107 0.0594 0.0563
Mycobacterium tuberculosis Dihydrolipoamide dehydrogenase LpdC (lipoamide reductase (NADH)) (lipoyl dehydrogenase) (dihydrolipoyl dehydrogenase) (diaphoras 0.0094 0.0507 0.0501
Toxoplasma gondii phosphofructokinase PFKII 0.0029 0.0058 0.0222
Loa Loa (eye worm) 6-phosphofructokinase 0.0107 0.0594 0.1392
Onchocerca volvulus Heterochromatin protein 1 homolog 0.0038 0.0123 0.0118
Trichomonas vaginalis sucrase-isomaltase, putative 0.0039 0.013 0.0097
Echinococcus granulosus sterol regulatory element binding protein 0.0047 0.0183 0.0338
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0092 0.0492 0.1178
Echinococcus granulosus polycomb protein SCMH1 0.0055 0.0238 0.0451
Echinococcus granulosus diuretic hormone 44 receptor GPRdih2 0.0049 0.0198 0.037
Brugia malayi chromobox protein homolog 3 0.0038 0.0123 0.0214
Trypanosoma cruzi phosphoglycerate kinase, putative 0.0185 0.1132 1
Schistosoma mansoni aldehyde dehydrogenase 0.019 0.1166 0.2844
Plasmodium vivax sulfate transporter, putative 0.0039 0.013 0.0886
Echinococcus granulosus survival motor neuron protein 1 0.0463 0.305 0.6126
Mycobacterium ulcerans 6-phosphofructokinase 0.0107 0.0594 0.0482
Trypanosoma cruzi tyrosyl-DNA Phosphodiesterase (Tdp1), putative 0.0078 0.0396 0.3306
Plasmodium falciparum ATP-dependent 6-phosphofructokinase 0.0029 0.0058 0.0228
Schistosoma mansoni 6-phosphofructokinase 0.0107 0.0594 0.143
Entamoeba histolytica phosphofructokinase, putative 0.0107 0.0594 0.1392
Mycobacterium tuberculosis Probable transmembrane carbonic anhydrase (carbonate dehydratase) (carbonic dehydratase) 0.0583 0.3871 0.4794
Trichomonas vaginalis phosphoglycerate kinase, putative 0.0185 0.1132 0.1103
Mycobacterium ulcerans transmembrane carbonic anhydrase, SulP 0.0039 0.013 0.0013
Onchocerca volvulus 0.0728 0.4875 1
Schistosoma mansoni scm-relatedprotein containing 4 mbt domains (sfmbt) 0.0055 0.0238 0.0552
Brugia malayi Latrophilin receptor protein 2 0.0049 0.0198 0.0391
Echinococcus multilocularis Niemann Pick C1 protein 0.0156 0.0936 0.1858
Schistosoma mansoni tar DNA-binding protein 0.0128 0.0741 0.1793
Schistosoma mansoni hypothetical protein 0.0106 0.0591 0.1424
Trichomonas vaginalis alpha-glucosidase, putative 0.0039 0.013 0.0097
Mycobacterium ulcerans carbonic anhydrase 0.061 0.4062 0.3991
Echinococcus granulosus 5'partial|histone lysine N methyltransferase SETDB2 0.0088 0.0469 0.0915
Brugia malayi mbt repeat family protein 0.0055 0.0238 0.0485
Echinococcus multilocularis fetal alzheimer antigen, falz 0.0026 0.0039 0.0048
Echinococcus multilocularis tyrosyl DNA phosphodiesterase 1 0.0078 0.0396 0.0769
Schistosoma mansoni acetyl-CoA C-acetyltransferase 0.0026 0.0039 0.0058
Mycobacterium leprae Probable phosphoglycerate kinase Pgk 0.0185 0.1132 0.1906
Echinococcus multilocularis SAM and MBT domain containing protein 0.0055 0.0238 0.0451
Brugia malayi glutathione reductase 0.0037 0.0115 0.0194
Trichomonas vaginalis phosphofructokinase, putative 0.0029 0.0058 0.0025
Echinococcus multilocularis protein dispatched 1 0.0054 0.0229 0.0431
Mycobacterium ulcerans aldehyde dehydrogenase 0.019 0.1166 0.1061
Echinococcus granulosus tyrosyl DNA phosphodiesterase 1 0.0078 0.0396 0.0769
Trypanosoma cruzi PAS-domain containing phosphoglycerate kinase, putative 0.0068 0.0327 0.2674
Leishmania major phosphoglycerate kinase C, glycosomal 0.0185 0.1132 0.2728
Onchocerca volvulus 0.0094 0.0511 0.0924
Loa Loa (eye worm) latrophilin receptor protein 2 0.0049 0.0198 0.0465
Plasmodium falciparum glutathione reductase 0.0037 0.0115 0.0748
Brugia malayi hypothetical protein 0.0026 0.0041 0.0019
Echinococcus multilocularis polycomb protein SCMH1 0.0055 0.0238 0.0451
Loa Loa (eye worm) hypothetical protein 0.0049 0.0198 0.0465
Trypanosoma brucei Sulfate transporter N-terminal domain with GLY motif/Sulfate transporter family, putative 0.0039 0.013 0.0886
Mycobacterium tuberculosis Probable conserved transmembrane protein 0.0285 0.1822 0.2178
Brugia malayi hypothetical protein 0.015 0.0892 0.2031
Loa Loa (eye worm) hypothetical protein 0.0026 0.0041 0.0096
Schistosoma mansoni chromobox protein 0.0068 0.033 0.0779
Treponema pallidum diphosphate--fructose-6-phosphate 1-phosphotransferase 0.0107 0.0594 0.4987
Leishmania major cytochrome p450-like protein 0.0037 0.0117 0.0209
Brugia malayi hypothetical protein 0.0463 0.305 0.7128
Schistosoma mansoni hypothetical protein 0.0045 0.0171 0.0386
Loa Loa (eye worm) CYP4Cod1 0.0037 0.0117 0.0275
Echinococcus granulosus suppression of tumorigenicity 18 protein 0.0063 0.0291 0.0556
Onchocerca volvulus 0.0103 0.0569 0.1045
Echinococcus granulosus cadherin EGF LAG seven pass G type receptor 0.0049 0.0198 0.037
Mycobacterium ulcerans phosphoglycerate kinase 0.0185 0.1132 0.1027
Schistosoma mansoni chaperonin containing t-complex protein 1 beta subunit tcpb 0.0025 0.0033 0.0044
Loa Loa (eye worm) MBCTL1 0.0063 0.0291 0.0682
Entamoeba histolytica pyrophosphate-dependent phosphofructokinase 0.0029 0.0058 0.0062
Loa Loa (eye worm) hypothetical protein 0.0063 0.0291 0.0682
Mycobacterium tuberculosis Probable oxidoreductase 0.0548 0.3633 0.449
Echinococcus granulosus chromobox protein 1 0.0068 0.033 0.0636
Trichomonas vaginalis alpha-glucosidase, putative 0.0039 0.013 0.0097
Echinococcus granulosus Niemann Pick C1 protein 0.0109 0.0613 0.1206
Brugia malayi RNA recognition motif domain containing protein 0.0128 0.0741 0.1672
Echinococcus multilocularis lysosomal alpha glucosidase 0.0177 0.1078 0.2145
Mycobacterium tuberculosis Beta-carbonic anhydrase CanB 0.0312 0.2012 0.2421
Brugia malayi Cytochrome P450 family protein 0.004 0.0132 0.0234
Trypanosoma cruzi trypanothione reductase, putative 0.0037 0.0115 0.0748
Trichomonas vaginalis alpha-glucosidase, putative 0.0039 0.013 0.0097
Brugia malayi MH2 domain containing protein 0.0241 0.1519 0.351
Trypanosoma cruzi PAB1-binding protein , putative 0.0026 0.0041 0.0072
Mycobacterium tuberculosis Probable dehydrogenase 0.0085 0.0442 0.0418
Echinococcus multilocularis histone acetyltransferase MYST2 0.0063 0.0291 0.0556
Echinococcus granulosus bromodomain adjacent to zinc finger domain 0.0069 0.0334 0.0643
Brugia malayi phosphofructokinase 0.0107 0.0594 0.1325
Mycobacterium leprae CARBONIC ANHYDRASE (CARBONATE DEHYDRATASE) (CARBONIC DEHYDRATASE) 0.061 0.4062 1
Brugia malayi Heterochromatin protein 1 0.0068 0.033 0.0702
Loa Loa (eye worm) 6-phosphofructokinase 0.0107 0.0594 0.1392
Brugia malayi TAR-binding protein 0.0128 0.0741 0.1672
Schistosoma mansoni cellular tumor antigen P53 0.0109 0.0608 0.1464
Trypanosoma cruzi Sulfate transporter N-terminal domain with GLY motif/Sulfate transporter family, putative 0.0039 0.013 0.0886
Loa Loa (eye worm) hypothetical protein 0.0109 0.0613 0.1436
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0097 0.0529 0.1037
Loa Loa (eye worm) hypothetical protein 0.0109 0.0608 0.1424
Loa Loa (eye worm) hypothetical protein 0.0055 0.0238 0.0559
Plasmodium vivax glutathione reductase, putative 0.0037 0.0115 0.0748
Loa Loa (eye worm) TAR-binding protein 0.0128 0.0741 0.1736
Schistosoma mansoni myelin transcription factor 1 myt1 0.0063 0.0291 0.0681
Trichomonas vaginalis neutral alpha-glucosidase ab precursor, putative 0.0039 0.013 0.0097
Brugia malayi Tyrosyl-DNA phosphodiesterase family protein 0.0078 0.0396 0.0858
Plasmodium falciparum ataxin-2 like protein, putative 0.0026 0.0041 0.0072
Toxoplasma gondii thioredoxin reductase 0.0037 0.0115 0.0726
Loa Loa (eye worm) thioredoxin reductase 0.0037 0.0115 0.027
Schistosoma mansoni hypothetical protein 0.0049 0.0198 0.0453
Trichomonas vaginalis conserved hypothetical protein 0.0027 0.0046 0.0014
Trichomonas vaginalis phosphofructokinase, putative 0.0029 0.0058 0.0025
Loa Loa (eye worm) hypothetical protein 0.0038 0.0123 0.0289
Trichomonas vaginalis alpha-glucosidase, putative 0.0039 0.013 0.0097
Echinococcus granulosus aldehyde dehydrogenase mitochondrial 0.019 0.1166 0.2323
Trichomonas vaginalis 6-phosphofructokinase, putative 0.0029 0.0058 0.0025
Loa Loa (eye worm) hypothetical protein 0.003 0.0066 0.0156
Toxoplasma gondii 6-phosphofructokinase 0.0029 0.0058 0.0222
Echinococcus multilocularis endonuclease exonuclease phosphatase 0.0221 0.1379 0.2753
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0097 0.0529 0.127
Trichomonas vaginalis chromobox protein, putative 0.0068 0.033 0.0298
Echinococcus granulosus tumor protein p63 0.0742 0.497 1
Onchocerca volvulus 0.0055 0.0238 0.0358
Echinococcus multilocularis sterol regulatory element binding protein 0.0047 0.0183 0.0338
Schistosoma mansoni chaperonin containing t-complex protein 1 beta subunit tcpb 0.0025 0.0033 0.0044
Echinococcus multilocularis neutral alpha glucosidase AB 0.0039 0.013 0.0232
Brugia malayi Calcitonin receptor-like protein seb-1 0.0155 0.093 0.2119
Echinococcus granulosus endonuclease exonuclease phosphatase 0.0221 0.1379 0.2753
Entamoeba histolytica carbonic anhydrase, putative 0.061 0.4062 1
Leishmania major trypanothione reductase 0.0037 0.0115 0.0204
Treponema pallidum phosphoglycerate kinase 0.0185 0.1132 1
Schistosoma mansoni hypothetical protein 0.0338 0.2189 0.5372
Echinococcus multilocularis cadherin EGF LAG seven pass G type receptor 0.0049 0.0198 0.037
Schistosoma mansoni tar DNA-binding protein 0.0128 0.0741 0.1793
Echinococcus multilocularis histone lysine N methyltransferase SETMAR 0.0092 0.0492 0.0962
Echinococcus granulosus Niemann Pick C1 protein 0.0156 0.0936 0.1858
Echinococcus granulosus lysosomal alpha glucosidase 0.0177 0.1078 0.2145
Schistosoma mansoni tar DNA-binding protein 0.0128 0.0741 0.1793
Trichomonas vaginalis phosphofructokinase, putative 0.0029 0.0058 0.0025
Schistosoma mansoni tar DNA-binding protein 0.0128 0.0741 0.1793
Trichomonas vaginalis conserved hypothetical protein 0.1472 1 1
Trichomonas vaginalis conserved hypothetical protein 0.0027 0.0046 0.0014
Trypanosoma cruzi Sulfate transporter N-terminal domain with GLY motif/Sulfate transporter family, putative 0.0039 0.013 0.0886
Mycobacterium tuberculosis Probable nitrite reductase [NAD(P)H] large subunit [FAD flavoprotein] NirB 0.0085 0.0442 0.0418
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0097 0.0529 0.1037
Entamoeba histolytica Niemann-Pick C1 protein, putative 0.0109 0.0613 0.1439
Trichomonas vaginalis chromobox protein, putative 0.0041 0.0143 0.0111
Loa Loa (eye worm) cytochrome P450 family protein 0.0037 0.0117 0.0275
Schistosoma mansoni chaperonin containing t-complex protein 1 beta subunit tcpb 0.0025 0.0033 0.0044
Brugia malayi CHE-14 protein 0.0047 0.0183 0.0354
Echinococcus multilocularis Niemann Pick C1 protein 0.0109 0.0613 0.1206
Toxoplasma gondii histone lysine methyltransferase SET/SUV39 0.0092 0.0492 0.4049
Echinococcus granulosus 6 phosphofructokinase 0.0107 0.0594 0.1168
Plasmodium falciparum thioredoxin reductase 0.0037 0.0115 0.0748
Echinococcus multilocularis chromobox protein 1 0.0068 0.033 0.0636
Brugia malayi 6-phosphofructokinase 0.0107 0.0594 0.1325
Schistosoma mansoni carbonic anhydrase 0.061 0.4062 1
Loa Loa (eye worm) RNA recognition domain-containing protein domain-containing protein 0.0128 0.0741 0.1736
Echinococcus granulosus expressed conserved protein 0.0103 0.0567 0.1114
Trypanosoma brucei cytochrome P450, putative 0.0037 0.0117 0.0766
Echinococcus multilocularis chaperonin containing TCP1, subunit 2 (beta) 0.0025 0.0033 0.0036
Trypanosoma cruzi phosphoglycerate kinase, putative 0.0185 0.1132 1
Loa Loa (eye worm) hypothetical protein 0.0047 0.0183 0.0429
Brugia malayi Pre-SET motif family protein 0.064 0.4266 1
Echinococcus multilocularis phosphoglycerate kinase 1 0.0185 0.1132 0.2254
Toxoplasma gondii phosphofructokinase domain-containing protein 0.0029 0.0058 0.0222
Trypanosoma brucei phosphoglycerate kinase, putative 0.0068 0.0327 0.2674
Brugia malayi Phosphoglycerate kinase 0.0185 0.1132 0.2596
Schistosoma mansoni survival motor neuron protein 0.0094 0.0511 0.1224
Echinococcus multilocularis lysosomal alpha glucosidase 0.0177 0.1078 0.2145
Echinococcus granulosus fetal alzheimer antigen falz 0.0026 0.0039 0.0048
Mycobacterium tuberculosis Probable 6-phosphofructokinase PfkA (phosphohexokinase) (phosphofructokinase) 0.0107 0.0594 0.0611
Entamoeba histolytica phosphoglycerate kinase, putative 0.0185 0.1132 0.2728
Trypanosoma cruzi phosphoglycerate kinase, putative 0.0068 0.0327 0.2674
Brugia malayi latrophilin 2 splice variant baaae 0.0106 0.0591 0.1319
Trypanosoma cruzi phosphoglycerate kinase, putative 0.0068 0.0327 0.2674
Brugia malayi Bromodomain containing protein 0.0044 0.0164 0.0309
Echinococcus multilocularis diuretic hormone 44 receptor GPRdih2 0.0049 0.0198 0.037
Loa Loa (eye worm) heterochromatin protein 1 0.0068 0.033 0.0774
Trichomonas vaginalis set domain proteins, putative 0.0728 0.4875 0.4858
Loa Loa (eye worm) hypothetical protein 0.0047 0.0183 0.0429
Schistosoma mansoni tar DNA-binding protein 0.0128 0.0741 0.1793
Trypanosoma cruzi 3-phosphoglycerate kinase, glycosomal 0.0068 0.0327 0.2674
Entamoeba histolytica glycosyl hydrolase, family 31 protein 0.0039 0.013 0.0241
Schistosoma mansoni phosphoglycerate kinase 0.0185 0.1132 0.276
Loa Loa (eye worm) transcription factor SMAD2 0.0241 0.1519 0.356
Plasmodium vivax 6-phosphofructokinase, putative 0.0029 0.0058 0.0228
Trichomonas vaginalis phosphofructokinase, putative 0.0107 0.0594 0.0563
Onchocerca volvulus Putative sulfate transporter 0.0247 0.1558 0.3103
Plasmodium vivax 6-phosphofructokinase, putative 0.0029 0.0058 0.0228
Onchocerca volvulus Heterochromatin protein 1 homolog 0.0041 0.0143 0.016
Echinococcus granulosus transcription factor Dp 1 0.0045 0.017 0.0313
Plasmodium vivax ataxin-2 like protein, putative 0.0026 0.0041 0.0072
Trichomonas vaginalis phosphofructokinase, putative 0.0029 0.0058 0.0025
Giardia lamblia Phosphoglycerate kinase 0.0185 0.1132 1
Trypanosoma brucei phosphoglycerate kinase 0.0185 0.1132 1
Giardia lamblia Pyrophosphate-fructose 6-phosphate 1-phosphotransferase alpha subunit 0.0029 0.0058 0.0228
Toxoplasma gondii glycosyl hydrolase, family 31 protein 0.0039 0.013 0.0857
Brugia malayi RNA binding protein 0.0128 0.0741 0.1672
Mycobacterium leprae Probable transmembrane transport protein 0.0285 0.1822 0.3811
Schistosoma mansoni alpha-glucosidase 0.0152 0.0908 0.2207
Loa Loa (eye worm) tyrosyl-DNA phosphodiesterase 0.0078 0.0396 0.0929
Echinococcus granulosus SAM and MBT domain containing protein 0.0055 0.0238 0.0451
Trypanosoma cruzi hypothetical protein, conserved 0.0039 0.013 0.0883
Brugia malayi Iron-sulfur cluster assembly accessory protein 0.0094 0.0511 0.1128
Loa Loa (eye worm) pre-SET domain-containing protein family protein 0.064 0.4266 1
Loa Loa (eye worm) MH2 domain-containing protein 0.0241 0.1519 0.356
Brugia malayi calcium-independent alpha-latrotoxin receptor 2, putative 0.0049 0.0198 0.0391
Echinococcus granulosus thioredoxin glutathione reductase 0.0038 0.0119 0.0209
Mycobacterium tuberculosis Putative ferredoxin reductase 0.0085 0.0442 0.0418
Schistosoma mansoni chromobox protein 0.0068 0.033 0.0779
Onchocerca volvulus 0.0109 0.0608 0.1126
Echinococcus multilocularis survival motor neuron protein 1 0.0463 0.305 0.6126

Activities

Activity type Activity value Assay description Source Reference
Ki (binding) = 0.85 uM Inhibition of Cryptococcus neoformans recombinant Can2 beta-carbonic anhydrase after 15 mins by stopped flow CO2 hydration assay ChEMBL. 21332115
Ki (binding) = 1 uM Inhibition of Candida albicans recombinant Nce103 beta-carbonic anhydrase after 15 mins by stopped flow CO2 hydration assay ChEMBL. 21332115
Ki (binding) = 10.5 uM Inhibition of Mycobacterium tuberculosis recombinant Rv1284 beta-carbonic anhydrase after 15 mins by stopped flow CO2 hydration assay ChEMBL. 21332115
Ki (binding) = 11.2 uM Inhibition of Mycobacterium tuberculosis recombinant Rv3273 beta-carbonic anhydrase after 15 mins by stopped flow CO2 hydration assay ChEMBL. 21332115
Ki (binding) = 131 uM Inhibition of human recombinant alpha-carbonic anhydrase 2 after 15 mins by stopped flow CO2 hydration assay ChEMBL. 21332115
Ki (binding) = 237 uM Inhibition of human recombinant alpha-carbonic anhydrase 1 after 15 mins by stopped flow CO2 hydration assay ChEMBL. 21332115
Kinact (binding) = 106 nM Inhibition of human recombinant carbonic anhydrase 5B by stopped flow CO2 hydration method ChEMBL. 19962903
Kinact (binding) = 110 nM Inhibition of human recombinant carbonic anhydrase 5A by stopped flow CO2 hydration method ChEMBL. 19962903
Kinact (binding) = 131 uM Inhibition of human recombinant carbonic anhydrase 2 by stopped flow CO2 hydration method ChEMBL. 19962903
Kinact (binding) = 237 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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