Detailed information for compound 549982

Basic information

Technical information
  • TDR Targets ID: 549982
  • Name: 2-(4-hydroxyphenyl)acetamide
  • MW: 151.163 | Formula: C8H9NO2
  • H donors: 2 H acceptors: 2 LogP: 0.38 Rotable bonds: 2
    Rule of 5 violations (Lipinski): 1
  • SMILES: NC(=O)Cc1ccc(cc1)O
  • InChi: 1S/C8H9NO2/c9-8(11)5-6-1-3-7(10)4-2-6/h1-4,10H,5H2,(H2,9,11)
  • InChiKey: YBPAYPRLUDCSEY-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

  • 2-(4-hydroxyphenyl)ethanamide
  • 4-(hydroxyphenyl)acetamide
  • 17194-82-0
  • AIDS-018387
  • AIDS018387
  • p-Hydroxyphenylacetamide
  • 2-(p-Hydroxyphenyl)acetamide
  • (p-Hydroxyphenyl)acetamide
  • 387738_ALDRICH
  • 3-10-00-00434 (Beilstein Handbook Reference)
  • 4-Hydroxybenzeneacetamide
  • 4-Hydroxyphenylacetamide
  • Acetamide, 2-(p-hydroxyphenyl)-
  • BRN 2085984
  • Oprea1_206241
  • SB 01670
  • p-(Carbamoylmethyl)phenol
  • Benzeneacetamide, 4-hydroxy-
  • alpha-(p-Hydroxyphenyl)acetamide
  • NSC187193
  • EINECS 241-235-0
  • ZINC00157085

Targets

Known targets for this compound

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

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Leishmania braziliensis carbonic anhydrase family protein, putative Get druggable targets OG5_127503 All targets in OG5_127503
Mycobacterium ulcerans transmembrane carbonic anhydrase, SulP Get druggable targets OG5_129533 All targets in OG5_129533
Trypanosoma cruzi carbonic anhydrase-like protein, putative Get druggable targets OG5_127628 All targets in OG5_127628
Mycobacterium ulcerans carbonic anhydrase 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 congolense hypothetical protein, conserved Get druggable targets OG5_129533 All targets in OG5_129533
Candida albicans hypothetical protein Get druggable targets OG5_135410 All targets in OG5_135410
Mycobacterium leprae Probable transmembrane transport protein Get druggable targets OG5_129533 All targets in OG5_129533
Leishmania infantum carbonic anhydrase-like protein Get druggable targets OG5_127628 All targets in OG5_127628
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 transmembrane carbonic anhydrase, SulP 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
Mycobacterium tuberculosis Beta-carbonic anhydrase Get druggable targets OG5_135410 All targets in OG5_135410
Leishmania donovani carbonic anhydrase-like 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
Echinococcus multilocularis carbonic anhydrase II 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
Trypanosoma congolense carbonic anhydrase-like protein Get druggable targets OG5_127628 All targets in OG5_127628
Leishmania major carbonic anhydrase-like protein Get druggable targets OG5_127628 All targets in OG5_127628
Plasmodium yoelii sulfate permease family protein Get druggable targets OG5_129533 All targets in OG5_129533
Leishmania mexicana carbonic anhydrase family protein, putative Get druggable targets OG5_127503 All targets in OG5_127503
Trichomonas vaginalis conserved hypothetical protein Get druggable targets OG5_135410 All targets in OG5_135410
Mycobacterium ulcerans integral membrane transporter 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
Babesia bovis sulfate transporter, 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
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 cruzi Sulfate transporter N-terminal domain with GLY motif/Sulfate transporter family, putative Get druggable targets OG5_129533 All targets in OG5_129533
Leishmania mexicana 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
Loa Loa (eye worm) carbonic anhydrase 3 Get druggable targets OG5_127628 All targets in OG5_127628
Schistosoma japonicum ko:K01672 carbonic anhydrase [EC4.2.1.1], putative Get druggable targets OG5_127503 All targets in OG5_127503
Schistosoma mansoni carbonic anhydrase II (carbonate dehydratase II) Get druggable targets OG5_127628 All targets in OG5_127628
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
Neospora caninum hypothetical protein Get druggable targets OG5_129533 All targets in OG5_129533
Brugia malayi Putative carbonic anhydrase 5 precursor Get druggable targets OG5_127628 All targets in OG5_127628
Plasmodium vivax sulfate transporter, putative Get druggable targets OG5_129533 All targets in OG5_129533
Plasmodium berghei inorganic anion antiporter, putative Get druggable targets OG5_129533 All targets in OG5_129533
Candida albicans hypothetical protein Get druggable targets OG5_135410 All targets in OG5_135410
Schistosoma mansoni carbonic anhydrase 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 falciparum inorganic anion exchanger, inorganic anion antiporter 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
Toxoplasma gondii inorganic anion transporter, sulfate permease (SulP) family protein 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
Entamoeba histolytica carbonic anhydrase, putative Get druggable targets OG5_127503 All targets in OG5_127503
Echinococcus granulosus carbonic anhydrase II Get druggable targets OG5_127628 All targets in OG5_127628
Leishmania donovani carbonic anhydrase family protein, putative Get druggable targets OG5_127503 All targets in OG5_127503
Trypanosoma brucei carbonic anhydrase-like protein Get druggable targets OG5_127628 All targets in OG5_127628
Leishmania braziliensis carbonic anhydrase-like protein Get druggable targets OG5_127628 All targets in OG5_127628
Mycobacterium tuberculosis Beta-carbonic anhydrase CanB Get druggable targets OG5_127503 All targets in OG5_127503
Schistosoma japonicum ko:K01672 carbonic anhydrase [EC4.2.1.1], putative Get druggable targets OG5_127628 All targets in OG5_127628
Trypanosoma congolense carbonic anhydrase-like protein Get druggable targets OG5_127628 All targets in OG5_127628
Leishmania infantum carbonic anhydrase family protein, putative 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
Candida albicans Involved in protection against oxidative damage Get druggable targets OG5_127503 All targets in OG5_127503
Candida albicans Involved in protection against oxidative damage Get druggable targets OG5_127503 All targets in OG5_127503
Brugia malayi Eukaryotic-type carbonic anhydrase family protein Get druggable targets OG5_127628 All targets in OG5_127628
Chlamydia trachomatis sulfate transporter Get druggable targets OG5_129533 All targets in OG5_129533
Trypanosoma congolense Sulfate transporter N-terminal domain with GLY motif/Sulfate transporter family, putative Get druggable targets OG5_129533 All targets in OG5_129533
By sequence similarity to non orthologous known druggable targets
Species Potential target Known druggable target Length Alignment span Identity
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
Mycobacterium ulcerans esterase/lipase LipP 0.0074 0.0132 0.0252
Mycobacterium leprae conserved hypothetical protein 0.0074 0.0132 0.0362
Mycobacterium leprae CARBONIC ANHYDRASE (CARBONATE DEHYDRATASE) (CARBONIC DEHYDRATASE) 0.061 0.1729 0.5214
Echinococcus multilocularis beta LACTamase domain containing family member 0.0074 0.0132 0.0212
Echinococcus multilocularis carbonic anhydrase 0.0034 0.0013 0.0016
Onchocerca volvulus 0.0074 0.0132 0.1999
Mycobacterium ulcerans fusion of enoyl-CoA hydratase, EchA21 and lipase, LipE 0.0074 0.0132 0.0252
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.005 0.0061 0.0901
Trypanosoma cruzi hypothetical protein, conserved 0.0074 0.0132 0.3546
Mycobacterium ulcerans carbonic anhydrase 0.061 0.1729 0.3991
Brugia malayi hypothetical protein 0.0247 0.0648 1
Onchocerca volvulus Huntingtin homolog 0.0247 0.0648 1
Mycobacterium ulcerans aldehyde dehydrogenase 0.0061 0.0094 0.0162
Chlamydia trachomatis recombinase RecA 0.0108 0.0234 0.1977
Schistosoma mansoni hypothetical protein 0.0034 0.0014 0.0018
Echinococcus multilocularis carbonic anhydrase 0.0034 0.0013 0.0016
Echinococcus multilocularis inositol monophosphatase 1 0.0038 0.0025 0.0035
Loa Loa (eye worm) hypothetical protein 0.0074 0.0132 0.1999
Echinococcus multilocularis carbonic anhydrase 0.0034 0.0013 0.0016
Schistosoma mansoni aldehyde dehydrogenase 0.0061 0.0094 0.0148
Trypanosoma brucei Sulfate transporter N-terminal domain with GLY motif/Sulfate transporter family, putative 0.0039 0.003 0.0532
Schistosoma mansoni inositol monophosphatase 0.0038 0.0025 0.0035
Loa Loa (eye worm) hypothetical protein 0.0034 0.0014 0.0173
Onchocerca volvulus Putative sulfate transporter 0.0247 0.0647 0.9983
Mycobacterium tuberculosis Conserved protein 0.0074 0.0132 0.0119
Mycobacterium tuberculosis Conserved protein 0.0074 0.0132 0.0119
Wolbachia endosymbiont of Brugia malayi recombinase A 0.0108 0.0234 0.2017
Schistosoma mansoni jumonji domain containing protein 0.006 0.0091 0.0144
Brugia malayi Putative carbonic anhydrase 5 precursor 0.0147 0.0351 0.5393
Toxoplasma gondii inorganic anion transporter, sulfate permease (SulP) family protein 0.0039 0.003 0.2068
Schistosoma mansoni aldehyde dehydrogenase 0.0061 0.0094 0.0148
Trypanosoma cruzi myo-inositol-1(or 4)-monophosphatase 1, putative 0.0038 0.0025 0.0379
Echinococcus granulosus inositol monophosphatase 1 0.0038 0.0025 0.0041
Schistosoma mansoni jumonji/arid domain-containing protein 0.006 0.0091 0.0144
Schistosoma mansoni carbonic anhydrase 0.061 0.1729 0.2833
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0046 0.005 0.0076
Leishmania major aldehyde dehydrogenase, mitochondrial precursor 0.0061 0.0094 0.0405
Schistosoma mansoni carbonic anhydrase 0.0034 0.0013 0.0016
Toxoplasma gondii aldehyde dehydrogenase 0.0061 0.0094 0.7017
Mycobacterium tuberculosis Probable lipase LipD 0.0074 0.0132 0.0119
Schistosoma mansoni carbonic anhydrase II (carbonate dehydratase II) 0.0147 0.0351 0.0571
Brugia malayi Carbonic anhydrase like protein 2 precursor 0.0034 0.0013 0.0149
Loa Loa (eye worm) hypothetical protein 0.005 0.0061 0.0901
Leishmania major carbonic anhydrase family protein, putative 0.061 0.1729 1
Toxoplasma gondii hypothetical protein 0.0034 0.0013 0.0744
Mycobacterium tuberculosis Probable esterase LipL 0.0074 0.0132 0.0119
Mycobacterium ulcerans aldehyde dehydrogenase 0.0061 0.0094 0.0162
Mycobacterium ulcerans recombinase A 0.0108 0.0234 0.049
Trichomonas vaginalis D-aminoacylase, putative 0.0074 0.0132 0.0252
Trypanosoma brucei carbonic anhydrase-like protein 0.0147 0.0351 1
Mycobacterium ulcerans integral membrane transporter 0.0039 0.003 0.0012
Echinococcus multilocularis aldehyde dehydrogenase, mitochondrial 0.0061 0.0094 0.0148
Onchocerca volvulus 0.0241 0.0629 0.9709
Trypanosoma cruzi myo-inositol-1(or 4)-monophosphatase 1, putative 0.0038 0.0025 0.0379
Toxoplasma gondii ABC1 family protein 0.0074 0.0132 1
Loa Loa (eye worm) twinkle helicase 0.011 0.0242 0.3696
Schistosoma mansoni carbonic anhydrase-related 0.0034 0.0013 0.0016
Trypanosoma cruzi Sulfate transporter N-terminal domain with GLY motif/Sulfate transporter family, putative 0.0039 0.003 0.0532
Schistosoma mansoni family S12 unassigned peptidase (S12 family) 0.0074 0.0132 0.0212
Trichomonas vaginalis conserved hypothetical protein 0.1472 0.4295 1
Wolbachia endosymbiont of Brugia malayi replicative DNA helicase 0.0386 0.1063 1
Onchocerca volvulus 0.0074 0.0132 0.1999
Mycobacterium tuberculosis Probable hydrolase 0.0074 0.0132 0.0119
Brugia malayi Eukaryotic-type carbonic anhydrase family protein 0.0034 0.0013 0.0149
Entamoeba histolytica myo-inositol monophosphatase, putative 0.0038 0.0025 0.0002
Loa Loa (eye worm) beta-lactamase 0.0074 0.0132 0.1999
Trypanosoma brucei hypothetical protein, conserved 0.0074 0.0132 0.3546
Mycobacterium ulcerans transmembrane carbonic anhydrase, SulP 0.0039 0.003 0.0012
Echinococcus granulosus carbonic anhydrase II 0.0147 0.0351 0.0576
Trichomonas vaginalis penicillin-binding protein, putative 0.0074 0.0132 0.0252
Mycobacterium ulcerans beta-lactamase 0.0074 0.0132 0.0252
Mycobacterium ulcerans aldehyde dehydrogenase 0.0061 0.0094 0.0162
Plasmodium falciparum inorganic anion exchanger, inorganic anion antiporter 0.0039 0.003 1
Loa Loa (eye worm) hypothetical protein 0.0034 0.0013 0.0149
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0046 0.005 0.0076
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0046 0.005 0.0076
Mycobacterium tuberculosis Possible conserved lipoprotein LpqK 0.0074 0.0132 0.0119
Echinococcus multilocularis carbonic anhydrase II 0.0147 0.0351 0.0571
Echinococcus granulosus Basic leucine zipper bZIP transcription 0.0037 0.0024 0.004
Schistosoma mansoni hypothetical protein 0.0034 0.0013 0.0016
Brugia malayi Hypothetical 52.5 kDa protein ZK945.1 in chromosome II, putative 0.0074 0.0132 0.1999
Onchocerca volvulus Huntingtin homolog 0.0247 0.0648 1
Echinococcus granulosus carbonic anhydrase 0.0034 0.0013 0.0021
Mycobacterium tuberculosis Probable aldehyde dehydrogenase 0.0061 0.0094 0.0081
Loa Loa (eye worm) transcription factor SMAD2 0.0116 0.0258 0.3945
Echinococcus granulosus aldehyde dehydrogenase mitochondrial 0.0061 0.0094 0.0154
Mycobacterium tuberculosis Probable transmembrane carbonic anhydrase (carbonate dehydratase) (carbonic dehydratase) 0.0583 0.1647 0.1636
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0046 0.005 0.0082
Trichomonas vaginalis D-aminoacylase, putative 0.0074 0.0132 0.0252
Echinococcus granulosus carbonic anhydrase 0.0034 0.0013 0.0021
Mycobacterium leprae RECA PROTEIN (RECOMBINASE A) [CONTAINS: Mle RECA INTEIN]. 0.0108 0.0234 0.0672
Trypanosoma cruzi Sulfate transporter N-terminal domain with GLY motif/Sulfate transporter family, putative 0.0039 0.003 0.0532
Trichomonas vaginalis set domain proteins, putative 0.0241 0.0629 0.1416
Brugia malayi jmjC domain containing protein 0.006 0.0091 0.1358
Trypanosoma cruzi hypothetical protein, conserved 0.0074 0.0132 0.3546
Loa Loa (eye worm) GTP-binding regulatory protein Gs alpha-S chain 0.0046 0.005 0.0722
Schistosoma mansoni jumonji/arid domain-containing protein 0.006 0.0091 0.0144
Brugia malayi hypothetical protein 0.0037 0.0024 0.0327
Trichomonas vaginalis penicillin-binding protein, putative 0.0074 0.0132 0.0252
Mycobacterium tuberculosis Probable conserved lipoprotein 0.0074 0.0132 0.0119
Mycobacterium tuberculosis Conserved protein 0.0074 0.0132 0.0119
Brugia malayi Carbonic anhydrase like protein 2 precursor 0.0034 0.0013 0.0149
Schistosoma mansoni family S12 unassigned peptidase (S12 family) 0.0074 0.0132 0.0212
Leishmania major carbonic anhydrase-like protein 0.0147 0.0351 0.1915
Onchocerca volvulus 0.0074 0.0132 0.1999
Loa Loa (eye worm) hypothetical protein 0.0247 0.0648 1
Brugia malayi Eukaryotic-type carbonic anhydrase family protein 0.0034 0.0013 0.0149
Echinococcus multilocularis Transcription factor, JmjC domain containing protein 0.006 0.0091 0.0144
Echinococcus multilocularis lysine specific demethylase 5A 0.006 0.0091 0.0144
Treponema pallidum replicative DNA helicase (dnaB) 0.0386 0.1063 1
Loa Loa (eye worm) carbonic anhydrase 3 0.0147 0.0351 0.5393
Chlamydia trachomatis replicative DNA helicase 0.0386 0.1063 1
Mycobacterium ulcerans transmembrane carbonic anhydrase, SulP 0.0039 0.003 0.0012
Schistosoma mansoni carbonic anhydrase II (carbonate dehydratase II) 0.0147 0.0351 0.0571
Mycobacterium tuberculosis Probable esterase/lipase LipP 0.0074 0.0132 0.0119
Schistosoma mansoni inositol monophosphatase 0.0038 0.0025 0.0035
Mycobacterium tuberculosis RecA protein (recombinase A) [contains: endonuclease PI-MTUI (MTU RecA intein)]. 0.3111 0.9171 0.917
Loa Loa (eye worm) hypothetical protein 0.0074 0.0132 0.1999
Loa Loa (eye worm) hypothetical protein 0.0034 0.0013 0.0149
Trypanosoma cruzi carbonic anhydrase-like protein, putative 0.0147 0.0351 1
Trypanosoma brucei inositol-1(or 4)-monophosphatase 1, putative 0.0038 0.0025 0.0379
Schistosoma mansoni Replicative DNA helicase 0.0386 0.1063 0.174
Mycobacterium tuberculosis Beta-carbonic anhydrase CanB 0.0312 0.0843 0.0831
Trichomonas vaginalis D-aminoacylase, putative 0.0074 0.0132 0.0252
Loa Loa (eye worm) eukaryotic-type carbonic anhydrase 0.0147 0.0351 0.5393
Mycobacterium tuberculosis Probable lipase LipE 0.0074 0.0132 0.0119
Loa Loa (eye worm) hypothetical protein 0.0074 0.0132 0.1999
Loa Loa (eye worm) hypothetical protein 0.0074 0.0132 0.1999
Echinococcus granulosus beta LACTamase domain containing family member 0.0074 0.0132 0.0217
Trichomonas vaginalis esterase, putative 0.0074 0.0132 0.0252
Echinococcus granulosus lysine specific demethylase 5A 0.006 0.0091 0.0149
Plasmodium vivax sulfate transporter, putative 0.0039 0.003 0.2068
Schistosoma mansoni carbonic anhydrase-related 0.0034 0.0013 0.0016
Brugia malayi Inositol-1 0.0038 0.0025 0.0332
Trichomonas vaginalis conserved hypothetical protein 0.1472 0.4295 1
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0046 0.005 0.0076
Brugia malayi Calcitonin receptor-like protein seb-1 0.005 0.0061 0.0901
Schistosoma mansoni carbonic anhydrase-related 0.0034 0.0013 0.0016
Echinococcus granulosus Transcription factor JmjC domain containing protein 0.006 0.0091 0.0149
Loa Loa (eye worm) hypothetical protein 0.0034 0.0013 0.0149
Loa Loa (eye worm) pigment dispersing factor receptor c 0.005 0.0061 0.0901
Plasmodium vivax hypothetical protein, conserved 0.0074 0.0132 1
Mycobacterium tuberculosis Probable conserved transmembrane protein 0.0285 0.0761 0.0749
Brugia malayi MH2 domain containing protein 0.0116 0.0258 0.3945
Schistosoma mansoni transcription factor LCR-F1 0.0037 0.0024 0.0035
Schistosoma mansoni hypothetical protein 0.0037 0.0024 0.0035
Mycobacterium leprae PROBABLE REPLICATIVE DNA HELICASE DNAB replicative DNA helicase 0.0386 0.1063 0.3191
Echinococcus granulosus carbonic anhydrase 0.0034 0.0013 0.0021
Entamoeba histolytica carbonic anhydrase, putative 0.061 0.1729 1
Loa Loa (eye worm) hypothetical protein 0.0247 0.0648 1
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0046 0.005 0.0076
Loa Loa (eye worm) MH2 domain-containing protein 0.0116 0.0258 0.3945
Loa Loa (eye worm) hypothetical protein 0.0074 0.0132 0.1999
Brugia malayi GTP-binding regulatory protein Gs alpha-S chain, putative 0.0046 0.005 0.0722
Brugia malayi beta-lactamase family protein 0.0074 0.0132 0.1999
Toxoplasma gondii inositol(myo)-1(or 4)-monophosphatase 2, putative 0.0038 0.0025 0.1662
Mycobacterium ulcerans replicative DNA helicase DnaB 0.0386 0.1063 0.2432
Brugia malayi Eukaryotic-type carbonic anhydrase family protein 0.0147 0.0351 0.5393
Echinococcus multilocularis microtubule associated protein 2 0.2077 0.6095 1
Loa Loa (eye worm) pre-SET domain-containing protein family protein 0.0211 0.0543 0.8361
Mycobacterium leprae Probable transmembrane transport protein 0.0285 0.0761 0.2272
Brugia malayi beta-lactamase family protein 0.0074 0.0132 0.1999
Onchocerca volvulus 0.0247 0.0647 0.9983
Loa Loa (eye worm) eukaryotic-type carbonic anhydrase 0.0034 0.0013 0.0149
Mycobacterium leprae Probable lipase LipE 0.0074 0.0132 0.0362
Loa Loa (eye worm) hypothetical protein 0.0074 0.0132 0.1999
Echinococcus multilocularis Basic leucine zipper (bZIP) transcription 0.0037 0.0024 0.0035
Mycobacterium ulcerans hypothetical protein 0.0074 0.0132 0.0252
Loa Loa (eye worm) beta-LACTamase domain containing family member 0.0074 0.0132 0.1999
Echinococcus granulosus histone lysine methyltransferase setb 0.003 0.0003 0.0005
Brugia malayi beta-lactamase 0.0074 0.0132 0.1999
Brugia malayi Pre-SET motif family protein 0.0211 0.0543 0.8361
Mycobacterium ulcerans carbonic anhydrase 0.1472 0.4295 1
Trypanosoma cruzi carbonic anhydrase-like protein, putative 0.0147 0.0351 1
Mycobacterium tuberculosis Possible penicillin-binding protein 0.047 0.1313 0.1302
Brugia malayi Eukaryotic-type carbonic anhydrase family protein 0.0034 0.0013 0.0149
Mycobacterium leprae Conserved hypothetical protein 0.1139 0.3304 1
Mycobacterium ulcerans lipase LipD 0.0074 0.0132 0.0252
Brugia malayi jmjC domain containing protein 0.006 0.0091 0.1358
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0046 0.005 0.0082
Loa Loa (eye worm) jmjC domain-containing protein 0.006 0.0091 0.1358
Loa Loa (eye worm) inositol-1 0.0038 0.0025 0.0332
Leishmania major hypothetical protein, conserved 0.0074 0.0132 0.0631
Brugia malayi latrophilin 2 splice variant baaae 0.0034 0.0014 0.0173
Schistosoma mansoni microtubule-associated protein tau 0.2077 0.6095 1
Mycobacterium tuberculosis Beta-carbonic anhydrase 0.1175 0.3409 0.3401
Echinococcus granulosus microtubule associated protein 2 0.2077 0.6095 1

Activities

Activity type Activity value Assay description Source Reference
Activity (functional) Antimicrobial activity against Escherichia coli by agar diffusion method ChEMBL. 12444694
Activity (functional) Antimicrobial activity against Candida albicans by agar diffusion method ChEMBL. 12444694
FC (binding) = 75 Inhibition of Mycobacterium tuberculosis recombinant Rv1284 beta-carbonic anhydrase after 15 mins by stopped flow CO2 hydration assay relative to phenol ChEMBL. 21332115
Ki (binding) = 0.84 uM Inhibition of Cryptococcus neoformans recombinant Can2 beta-carbonic anhydrase after 15 mins by stopped flow CO2 hydration assay ChEMBL. 21332115
Ki (binding) = 0.85 uM Inhibition of Mycobacterium tuberculosis recombinant Rv1284 beta-carbonic anhydrase after 15 mins by stopped flow CO2 hydration assay ChEMBL. 21332115
Ki (binding) = 0.91 uM Inhibition of Candida albicans recombinant Nce103 beta-carbonic anhydrase after 15 mins by stopped flow CO2 hydration assay ChEMBL. 21332115
Ki (binding) = 9.12 uM Inhibition of Mycobacterium tuberculosis recombinant Rv3273 beta-carbonic anhydrase after 15 mins by stopped flow CO2 hydration assay ChEMBL. 21332115
Ki (binding) = 11.2 uM Inhibition of human recombinant alpha-carbonic anhydrase 2 after 15 mins by stopped flow CO2 hydration assay ChEMBL. 21332115
Ki (binding) = 309 uM Inhibition of human recombinant alpha-carbonic anhydrase 1 after 15 mins by stopped flow CO2 hydration assay ChEMBL. 21332115
Kinact (binding) = 81 nM Inhibition of human recombinant carbonic anhydrase 5B by stopped flow CO2 hydration method ChEMBL. 19962903
Kinact (binding) = 92 nM Inhibition of human recombinant carbonic anhydrase 5A by stopped flow CO2 hydration method ChEMBL. 19962903
Kinact (binding) = 11.2 uM Inhibition of human recombinant carbonic anhydrase 2 by stopped flow CO2 hydration method ChEMBL. 19962903
Kinact (binding) = 309 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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