Detailed information for compound 1097708

Basic information

Technical information
  • TDR Targets ID: 1097708
  • Name: 2-(3-chloro-4-hydroxyphenyl)-N-(2-phenylethyl )acetamide
  • MW: 289.757 | Formula: C16H16ClNO2
  • H donors: 2 H acceptors: 2 LogP: 3.36 Rotable bonds: 6
    Rule of 5 violations (Lipinski): 1
  • SMILES: O=C(Cc1ccc(c(c1)Cl)O)NCCc1ccccc1
  • InChi: 1S/C16H16ClNO2/c17-14-10-13(6-7-15(14)19)11-16(20)18-9-8-12-4-2-1-3-5-12/h1-7,10,19H,8-9,11H2,(H,18,20)
  • InChiKey: RKDFOLFWZFYJCY-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

  • 2-(3-chloro-4-hydroxy-phenyl)-N-(2-phenylethyl)acetamide
  • 2-(3-chloro-4-hydroxy-phenyl)-N-(2-phenylethyl)ethanamide

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Homo sapiens carbonic anhydrase II Starlite/ChEMBL References
Candida albicans Involved in protection against oxidative damage Starlite/ChEMBL References
Mycobacterium tuberculosis Beta-carbonic anhydrase References
Cryptococcus neoformans var. grubii Carbonic anhydrase 2 Starlite/ChEMBL References
Homo sapiens carbonic anhydrase I 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
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
Leishmania donovani carbonic anhydrase family protein, 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
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
Trypanosoma cruzi carbonic anhydrase-like protein, putative 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
Candida albicans hypothetical protein Get druggable targets OG5_135410 All targets in OG5_135410
Plasmodium berghei inorganic anion antiporter, putative Get druggable targets OG5_129533 All targets in OG5_129533
Schistosoma mansoni carbonic anhydrase 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
Leishmania major carbonic anhydrase family protein, putative 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
Loa Loa (eye worm) eukaryotic-type carbonic anhydrase 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
Entamoeba histolytica carbonic anhydrase, 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
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
Schistosoma mansoni carbonic anhydrase II (carbonate dehydratase II) 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
Schistosoma japonicum ko:K01672 carbonic anhydrase [EC4.2.1.1], putative Get druggable targets OG5_127503 All targets in OG5_127503
Neospora caninum hypothetical protein Get druggable targets OG5_129533 All targets in OG5_129533
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
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 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
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
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
Mycobacterium ulcerans transmembrane carbonic anhydrase, SulP 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
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
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
Mycobacterium ulcerans carbonic anhydrase Get druggable targets OG5_135410 All targets in OG5_135410
Trypanosoma cruzi carbonic anhydrase-like protein, putative 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
Trypanosoma congolense hypothetical protein, conserved 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 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 granulosus geminin 0.0165 0.0583 0.506
Echinococcus granulosus carbonic anhydrase 0.0067 0.0186 0.1617
Plasmodium falciparum thioredoxin reductase 0.0047 0.0106 0.569
Brugia malayi beta-lactamase 0.0035 0.0058 0.0336
Echinococcus granulosus carbonic anhydrase 0.0067 0.0186 0.1617
Mycobacterium leprae Probable transmembrane transport protein 0.0285 0.1067 0.4342
Brugia malayi beta-lactamase family protein 0.0035 0.0058 0.0336
Loa Loa (eye worm) nucleolar RNA-associated protein alpha 0.0306 0.1151 0.6701
Echinococcus granulosus Ataxin 2 N terminaldomain containing protein 0.0022 0.0005 0.0045
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0282 0.1055 0.4428
Mycobacterium tuberculosis Probable transmembrane carbonic anhydrase (carbonate dehydratase) (carbonic dehydratase) 0.0583 0.2271 0.4802
Trichomonas vaginalis importin beta-1, putative 0.0023 0.0009 0.0015
Plasmodium vivax thioredoxin reductase, putative 0.0047 0.0106 0.9095
Loa Loa (eye worm) hypothetical protein 0.0032 0.0043 0.0253
Echinococcus multilocularis diuretic hormone 44 receptor GPRdih2 0.0032 0.0044 0.0044
Schistosoma mansoni hypothetical protein 0.0032 0.0044 0.0186
Trichomonas vaginalis Importin beta-1 subunit, putative 0.0023 0.0009 0.0015
Schistosoma mansoni hypothetical protein 0.0067 0.0186 0.0782
Schistosoma mansoni family S12 unassigned peptidase (S12 family) 0.0035 0.0058 0.0242
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0282 0.1055 0.9161
Schistosoma mansoni hypothetical protein 0.0165 0.0583 0.2446
Echinococcus granulosus importin subunit beta 1 0.0029 0.0031 0.0266
Loa Loa (eye worm) hypothetical protein 0.0035 0.0058 0.0336
Loa Loa (eye worm) hypothetical protein 0.0035 0.0058 0.0336
Schistosoma mansoni lamin 0.0028 0.0027 0.0115
Trichomonas vaginalis D-aminoacylase, putative 0.0035 0.0058 0.0098
Brugia malayi Hypothetical 52.5 kDa protein ZK945.1 in chromosome II, putative 0.0035 0.0058 0.0336
Onchocerca volvulus 0.0049 0.0112 0.0498
Brugia malayi glutathione reductase 0.0047 0.0106 0.0616
Echinococcus granulosus diuretic hormone 44 receptor GPRdih2 0.0032 0.0044 0.0384
Plasmodium vivax importin-beta 2, putative 0.0029 0.0031 0.2626
Leishmania major hypothetical protein, conserved 0.005 0.0116 0.0489
Entamoeba histolytica hypothetical protein 0.0036 0.0062 0.0259
Trypanosoma brucei importin beta-1 subunit, putative 0.0029 0.0031 0.0474
Loa Loa (eye worm) beta-LACTamase domain containing family member 0.0035 0.0058 0.0336
Mycobacterium leprae PROBABLE NADH DEHYDROGENASE NDH 0.0108 0.0351 0.1261
Plasmodium falciparum importin beta, putative 0.0029 0.0031 0.1643
Mycobacterium tuberculosis Beta-carbonic anhydrase 0.1175 0.4666 1
Mycobacterium leprae CARBONIC ANHYDRASE (CARBONATE DEHYDRATASE) (CARBONIC DEHYDRATASE) 0.061 0.2382 1
Trichomonas vaginalis conserved hypothetical protein 0.1472 0.587 1
Echinococcus multilocularis snurportin 1 0.0306 0.1151 0.1151
Echinococcus granulosus beta LACTamase domain containing family member 0.0035 0.0058 0.0501
Loa Loa (eye worm) intermediate filament protein 0.0028 0.0027 0.016
Schistosoma mansoni carbonic anhydrase 0.061 0.2382 1
Echinococcus granulosus short transient receptor potential channel 6 0.0062 0.0166 0.1443
Echinococcus granulosus thioredoxin glutathione reductase 0.0047 0.0106 0.092
Schistosoma mansoni survival motor neuron protein 0.0049 0.0112 0.0469
Echinococcus multilocularis short transient receptor potential channel 6 0.0062 0.0166 0.0166
Loa Loa (eye worm) hypothetical protein 0.0027 0.0025 0.0148
Mycobacterium tuberculosis Probable reductase 0.0108 0.0351 0.0636
Echinococcus multilocularis TRP (transient receptor potential) channel 0.0035 0.0056 0.0056
Loa Loa (eye worm) hypothetical protein 0.0067 0.0186 0.1083
Echinococcus multilocularis carbonic anhydrase II 0.0181 0.0646 0.0646
Leishmania major carbonic anhydrase family protein, putative 0.061 0.2382 1
Mycobacterium tuberculosis Possible penicillin-binding protein 0.0226 0.0828 0.1672
Loa Loa (eye worm) carbonic anhydrase 3 0.0181 0.0646 0.3758
Trichomonas vaginalis conserved hypothetical protein 0.1472 0.587 1
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0282 0.1055 0.1055
Echinococcus granulosus survival motor neuron protein 1 0.0239 0.0881 0.7649
Schistosoma mansoni carbonic anhydrase 0.0067 0.0186 0.0782
Onchocerca volvulus 0.0035 0.0058 0.0179
Onchocerca volvulus 0.0247 0.0912 0.5233
Echinococcus multilocularis carbonic anhydrase 0.0067 0.0186 0.0186
Loa Loa (eye worm) hypothetical protein 0.0035 0.0058 0.0336
Mycobacterium tuberculosis Putative ferredoxin reductase 0.0108 0.0351 0.0636
Loa Loa (eye worm) eukaryotic-type carbonic anhydrase 0.0067 0.0186 0.1083
Plasmodium vivax ataxin-2 like protein, putative 0.005 0.0116 1
Onchocerca volvulus Putative sulfate transporter 0.0247 0.0912 0.5233
Onchocerca volvulus 0.0035 0.0058 0.0179
Loa Loa (eye worm) intermediate filament tail domain-containing protein 0.0028 0.0027 0.016
Echinococcus multilocularis lamin dm0 0.0028 0.0027 0.0027
Loa Loa (eye worm) hypothetical protein 0.005 0.0116 0.0678
Brugia malayi RNA, U transporter 1 0.0081 0.0244 0.1421
Loa Loa (eye worm) hypothetical protein 0.0035 0.0058 0.0336
Schistosoma mansoni hypothetical protein 0.0032 0.0044 0.0186
Brugia malayi Eukaryotic-type carbonic anhydrase family protein 0.0067 0.0186 0.1083
Leishmania major carbonic anhydrase-like protein 0.0181 0.0646 0.2711
Echinococcus multilocularis lamin 0.0028 0.0027 0.0027
Echinococcus granulosus cadherin EGF LAG seven pass G type receptor 0.0032 0.0044 0.0384
Brugia malayi Thioredoxin reductase 0.0047 0.0106 0.0616
Leishmania major trypanothione reductase 0.0047 0.0106 0.0445
Trypanosoma cruzi hypothetical protein, conserved 0.0035 0.0058 0.0894
Trichomonas vaginalis Importin beta-1 subunit, putative 0.0023 0.0009 0.0015
Loa Loa (eye worm) hypothetical protein 0.0094 0.0295 0.1716
Brugia malayi latrophilin 2 splice variant baaae 0.0069 0.0195 0.1132
Echinococcus granulosus intermediate filament protein 0.0028 0.0027 0.0239
Leishmania major importin beta-1 subunit, putative 0.0023 0.0009 0.0036
Echinococcus multilocularis survival motor neuron protein 1 0.0239 0.0881 0.0881
Schistosoma mansoni hypothetical protein 0.0049 0.0112 0.0469
Schistosoma mansoni transient receptor potential channel 0.0062 0.0166 0.0697
Schistosoma mansoni family S12 unassigned peptidase (S12 family) 0.0035 0.0058 0.0242
Mycobacterium ulcerans integral membrane transporter 0.0039 0.0074 0.0027
Entamoeba histolytica hypothetical protein 0.0036 0.0062 0.0259
Trypanosoma cruzi importin beta-1 subunit, putative 0.0023 0.0009 0.0134
Mycobacterium ulcerans carbonic anhydrase 0.061 0.2382 0.4
Toxoplasma gondii thioredoxin reductase 0.0047 0.0106 0.569
Trypanosoma cruzi trypanothione reductase, putative 0.0047 0.0106 0.164
Mycobacterium tuberculosis Probable nitrite reductase [NAD(P)H] large subunit [FAD flavoprotein] NirB 0.0108 0.0351 0.0636
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.0101 0.0324 0.1886
Mycobacterium tuberculosis Probable dehydrogenase 0.0108 0.0351 0.0636
Trypanosoma brucei importin beta-1 subunit, putative 0.0029 0.0031 0.0474
Loa Loa (eye worm) hypothetical protein 0.0101 0.0324 0.1886
Plasmodium falciparum glutathione reductase 0.0047 0.0106 0.569
Loa Loa (eye worm) eukaryotic-type carbonic anhydrase 0.0181 0.0646 0.3758
Loa Loa (eye worm) beta-lactamase 0.0035 0.0058 0.0336
Mycobacterium tuberculosis Probable conserved transmembrane protein 0.0285 0.1067 0.219
Schistosoma mansoni transcription factor LCR-F1 0.0036 0.0062 0.0259
Schistosoma mansoni lamin 0.0028 0.0027 0.0115
Loa Loa (eye worm) GTP-binding regulatory protein Gs alpha-S chain 0.0282 0.1055 0.6139
Schistosoma mansoni transient receptor potential channel 0.0094 0.0295 0.1237
Trypanosoma cruzi carbonic anhydrase-like protein, putative 0.0181 0.0646 1
Brugia malayi Calcitonin receptor-like protein seb-1 0.0101 0.0324 0.1886
Schistosoma mansoni intermediate filament proteins 0.0028 0.0027 0.0115
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0282 0.1055 0.9161
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0282 0.1055 0.1055
Brugia malayi Importin beta-1 subunit 0.0029 0.0031 0.0178
Schistosoma mansoni carbonic anhydrase II (carbonate dehydratase II) 0.0181 0.0646 0.2711
Trypanosoma cruzi Sulfate transporter N-terminal domain with GLY motif/Sulfate transporter family, putative 0.0039 0.0074 0.114
Echinococcus granulosus carbonic anhydrase II 0.0181 0.0646 0.5609
Loa Loa (eye worm) hypothetical protein 0.0028 0.0027 0.016
Loa Loa (eye worm) pigment dispersing factor receptor c 0.0101 0.0324 0.1886
Plasmodium vivax hypothetical protein, conserved 0.0035 0.0058 0.4955
Mycobacterium ulcerans carbonic anhydrase 0.1472 0.587 1
Mycobacterium tuberculosis Probable membrane NADH dehydrogenase NdhA 0.0108 0.0351 0.0636
Trypanosoma cruzi Sulfate transporter N-terminal domain with GLY motif/Sulfate transporter family, putative 0.0039 0.0074 0.114
Brugia malayi Putative carbonic anhydrase 5 precursor 0.0181 0.0646 0.3758
Echinococcus multilocularis transient receptor potential ion channel A 0.0091 0.0282 0.0282
Schistosoma mansoni hypothetical protein 0.0032 0.0044 0.0186
Onchocerca volvulus 0.0035 0.0058 0.0179
Schistosoma mansoni carbonic anhydrase-related 0.0067 0.0186 0.0782
Brugia malayi hypothetical protein 0.0036 0.0062 0.0359
Schistosoma mansoni carbonic anhydrase-related 0.0067 0.0186 0.0782
Echinococcus multilocularis short transient receptor potential channel 6 0.0062 0.0166 0.0166
Schistosoma mansoni hypothetical protein 0.0165 0.0583 0.2446
Trypanosoma brucei hypothetical protein, conserved 0.0035 0.0058 0.0894
Trypanosoma brucei Sulfate transporter N-terminal domain with GLY motif/Sulfate transporter family, putative 0.0039 0.0074 0.114
Brugia malayi intermediate filament protein 0.0028 0.0027 0.016
Echinococcus multilocularis musashi 0.0028 0.0027 0.0027
Brugia malayi Eukaryotic-type carbonic anhydrase family protein 0.0067 0.0186 0.1083
Schistosoma mansoni importin beta-1 0.0029 0.0031 0.0128
Entamoeba histolytica carbonic anhydrase, putative 0.061 0.2382 1
Echinococcus granulosus snurportin 1 0.0306 0.1151 1
Brugia malayi Intermediate filament tail domain containing protein 0.0028 0.0027 0.016
Brugia malayi Eukaryotic-type carbonic anhydrase family protein 0.0067 0.0186 0.1083
Brugia malayi Latrophilin receptor protein 2 0.0032 0.0044 0.0257
Echinococcus multilocularis Ataxin 2, N terminal,domain containing protein 0.0022 0.0005 0.0005
Echinococcus granulosus GPCR family 2 0.0032 0.0044 0.0384
Schistosoma mansoni transient receptor potential channel 4 0.0094 0.0295 0.1237
Mycobacterium leprae DIHYDROLIPOAMIDE DEHYDROGENASE LPD (LIPOAMIDE REDUCTASE (NADH)) (LIPOYL DEHYDROGENASE) (DIHYDROLIPOYL DEHYDROGENASE) (DIAPHORASE 0.012 0.04 0.147
Trypanosoma cruzi carbonic anhydrase-like protein, putative 0.0181 0.0646 1
Brugia malayi hypothetical protein 0.0032 0.0045 0.0262
Toxoplasma gondii inorganic anion transporter, sulfate permease (SulP) family protein 0.0039 0.0074 0.3955
Loa Loa (eye worm) hypothetical protein 0.0059 0.0153 0.0893
Loa Loa (eye worm) hypothetical protein 0.0239 0.0881 0.5125
Echinococcus multilocularis Basic leucine zipper (bZIP) transcription 0.0036 0.0062 0.0062
Giardia lamblia GTP-binding nuclear protein RAN/TC4 0.0021 0 0.5
Loa Loa (eye worm) hypothetical protein 0.0067 0.0186 0.1083
Echinococcus multilocularis importin subunit beta 1 0.0029 0.0031 0.0031
Echinococcus granulosus lamin dm0 0.0028 0.0027 0.0239
Echinococcus granulosus transient receptor potential gamma protein 0.0094 0.0295 0.256
Loa Loa (eye worm) hypothetical protein 0.0035 0.0058 0.0336
Mycobacterium tuberculosis Dihydrolipoamide dehydrogenase LpdC (lipoamide reductase (NADH)) (lipoyl dehydrogenase) (dihydrolipoyl dehydrogenase) (diaphoras 0.012 0.04 0.0742
Plasmodium vivax sulfate transporter, putative 0.0039 0.0074 0.6323
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0282 0.1055 0.4428
Toxoplasma gondii ABC1 family protein 0.0035 0.0058 0.3099
Loa Loa (eye worm) latrophilin receptor protein 2 0.0032 0.0044 0.0257
Echinococcus multilocularis GPCR, family 2 0.0032 0.0044 0.0044
Plasmodium falciparum ataxin-2 like protein, putative 0.005 0.0116 0.6255
Echinococcus multilocularis geminin 0.0165 0.0583 0.0583
Trypanosoma cruzi PAB1-binding protein , putative 0.005 0.0116 0.1803
Plasmodium vivax glutathione reductase, putative 0.0047 0.0106 0.9095
Schistosoma mansoni hypothetical protein 0.0306 0.1151 0.4833
Brugia malayi Eukaryotic-type carbonic anhydrase family protein 0.0181 0.0646 0.3758
Leishmania major hypothetical protein, conserved 0.0035 0.0058 0.0242
Trypanosoma cruzi hypothetical protein, conserved 0.0035 0.0058 0.0894
Echinococcus multilocularis carbonic anhydrase 0.0067 0.0186 0.0186
Loa Loa (eye worm) hypothetical protein 0.0069 0.0195 0.1132
Plasmodium falciparum inorganic anion exchanger, inorganic anion antiporter 0.0039 0.0074 0.3955
Brugia malayi Transient-receptor-potential like protein 0.0035 0.0056 0.0326
Schistosoma mansoni transient receptor potential channel 0.0062 0.0166 0.0697
Echinococcus granulosus lamin 0.0028 0.0027 0.0239
Chlamydia trachomatis sulfate transporter 0.0039 0.0074 0.5
Echinococcus multilocularis thioredoxin glutathione reductase 0.0047 0.0106 0.0106
Echinococcus multilocularis transient receptor potential gamma protein 0.0094 0.0295 0.0295
Schistosoma mansoni hypothetical protein 0.0022 0.0005 0.0022
Trichomonas vaginalis D-aminoacylase, putative 0.0035 0.0058 0.0098
Brugia malayi calcium-independent alpha-latrotoxin receptor 2, putative 0.0032 0.0044 0.0257
Loa Loa (eye worm) hypothetical protein 0.0035 0.0058 0.0336
Plasmodium falciparum ataxin-2 like protein, putative 0.005 0.0116 0.6255
Mycobacterium ulcerans transmembrane carbonic anhydrase, SulP 0.0039 0.0074 0.0027
Mycobacterium tuberculosis Probable oxidoreductase 0.012 0.04 0.0742
Trichomonas vaginalis D-aminoacylase, putative 0.0035 0.0058 0.0098
Loa Loa (eye worm) hypothetical protein 0.0032 0.0044 0.0257
Trichomonas vaginalis penicillin-binding protein, putative 0.0035 0.0058 0.0098
Echinococcus granulosus Basic leucine zipper bZIP transcription 0.0036 0.0062 0.0536
Echinococcus granulosus transient receptor potential ion channel A 0.0091 0.0282 0.245
Loa Loa (eye worm) thioredoxin reductase 0.0047 0.0106 0.0616
Toxoplasma gondii hypothetical protein 0.0067 0.0186 1
Brugia malayi Carbonic anhydrase like protein 2 precursor 0.0067 0.0186 0.1083
Mycobacterium tuberculosis Beta-carbonic anhydrase CanB 0.0312 0.1179 0.2432
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0282 0.1055 0.4428
Toxoplasma gondii HEAT repeat-containing protein 0.0029 0.0031 0.1643
Brugia malayi hypothetical protein 0.0239 0.0881 0.5125
Brugia malayi hypothetical protein 0.005 0.0116 0.0678
Mycobacterium tuberculosis Probable NADH dehydrogenase Ndh 0.0108 0.0351 0.0636
Echinococcus granulosus carbonic anhydrase 0.0067 0.0186 0.1617
Plasmodium falciparum carbonic anhydrase 0.0067 0.0186 1
Loa Loa (eye worm) hypothetical protein 0.0446 0.1718 1
Trichomonas vaginalis penicillin-binding protein, putative 0.0035 0.0058 0.0098
Schistosoma mansoni hypothetical protein 0.0032 0.0044 0.0186
Echinococcus multilocularis carbonic anhydrase 0.0067 0.0186 0.0186
Loa Loa (eye worm) hypothetical protein 0.0067 0.0186 0.1083
Trypanosoma brucei PAB1-binding protein , putative 0.005 0.0116 0.1803
Schistosoma mansoni carbonic anhydrase II (carbonate dehydratase II) 0.0181 0.0646 0.2711
Brugia malayi Carbonic anhydrase like protein 2 precursor 0.0067 0.0186 0.1083
Brugia malayi beta-lactamase family protein 0.0035 0.0058 0.0336
Loa Loa (eye worm) glutathione reductase 0.0047 0.0106 0.0616
Brugia malayi hypothetical protein 0.0446 0.1718 1
Trichomonas vaginalis esterase, putative 0.0035 0.0058 0.0098
Entamoeba histolytica hypothetical protein 0.0023 0.0009 0.0036
Loa Loa (eye worm) hypothetical protein 0.0035 0.0056 0.0326
Brugia malayi Iron-sulfur cluster assembly accessory protein 0.0049 0.0112 0.065
Entamoeba histolytica hypothetical protein 0.0036 0.0062 0.0259
Trypanosoma brucei trypanothione reductase 0.0047 0.0106 0.164
Onchocerca volvulus 0.0446 0.1718 1
Echinococcus granulosus short transient receptor potential channel 6 0.0062 0.0166 0.1443
Echinococcus multilocularis beta LACTamase domain containing family member 0.0035 0.0058 0.0058
Echinococcus multilocularis cadherin EGF LAG seven pass G type receptor 0.0032 0.0044 0.0044
Trypanosoma cruzi PAB1-binding protein , putative 0.005 0.0116 0.1803
Schistosoma mansoni hypothetical protein 0.0069 0.0195 0.0816
Echinococcus granulosus TRP transient receptor potential channel 0.0035 0.0056 0.0487
Brugia malayi GTP-binding regulatory protein Gs alpha-S chain, putative 0.0282 0.1055 0.6139
Schistosoma mansoni hypothetical protein 0.0036 0.0062 0.0259
Mycobacterium tuberculosis NAD(P)H quinone reductase LpdA 0.012 0.04 0.0742
Loa Loa (eye worm) hypothetical protein 0.0029 0.0031 0.0178
Schistosoma mansoni carbonic anhydrase-related 0.0067 0.0186 0.0782
Mycobacterium tuberculosis NADPH-dependent mycothiol reductase Mtr 0.0047 0.0106 0.0105
Trypanosoma brucei carbonic anhydrase-like protein 0.0181 0.0646 1
Toxoplasma gondii LsmAD domain-containing protein 0.005 0.0116 0.6255
Mycobacterium ulcerans transmembrane carbonic anhydrase, SulP 0.0039 0.0074 0.0027
Entamoeba histolytica hypothetical protein 0.0036 0.0062 0.0259

Activities

Activity type Activity value Assay description Source Reference
Inhibition (functional) > 50 % Cytotoxicity against human LNCAP cells assessed as inhibition of cell proliferation at 10 uM after 72 hrs by Alamar blue assay relative to control ChEMBL. 25803573
Inhibition (functional) > 50 % Antiparasitic activity against bloodstream form of Trypanosoma brucei brucei 427 assessed as inhibition of parasite replication at 10 uM after 72 hrs by resazurin assay relative to control ChEMBL. 25803573
Inhibition (functional) > 50 % Antiparasitic activity against asexual intraerythrocytic stage of Plasmodium falciparum 3D7 assessed as inhibition of parasite replication at 10 uM after 72 hrs by DAPI staining-based microscopic analysis relative to control ChEMBL. 25803573
Ki (binding) = 0.8 uM Inhibition of Mycobacterium tuberculosis recombinant Rv1284 beta-carbonic anhydrase after 15 mins by stopped flow CO2 hydration assay ChEMBL. 21332115
Ki (binding) = 0.81 uM Inhibition of Cryptococcus neoformans recombinant Can2 beta-carbonic anhydrase after 15 mins by stopped flow CO2 hydration assay ChEMBL. 21332115
Ki (binding) = 0.93 uM Inhibition of Candida albicans recombinant Nce103 beta-carbonic anhydrase after 15 mins by stopped flow CO2 hydration assay ChEMBL. 21332115
Ki (binding) = 0.97 uM Inhibition of Mycobacterium tuberculosis recombinant Rv3273 beta-carbonic anhydrase after 15 mins by stopped flow CO2 hydration assay ChEMBL. 21332115
Ki (binding) = 9.6 uM Inhibition of human recombinant alpha-carbonic anhydrase 1 after 15 mins by stopped flow CO2 hydration assay ChEMBL. 21332115
Ki (binding) = 9.8 uM Inhibition of human recombinant alpha-carbonic anhydrase 2 after 15 mins by stopped flow CO2 hydration assay ChEMBL. 21332115
Kinact (binding) = 91 nM Inhibition of human recombinant carbonic anhydrase 5B by stopped flow CO2 hydration method ChEMBL. 19962903
Kinact (binding) = 101 nM Inhibition of human recombinant carbonic anhydrase 5A by stopped flow CO2 hydration method ChEMBL. 19962903
Kinact (binding) = 9.6 uM Inhibition of human recombinant carbonic anhydrase 1 by stopped flow CO2 hydration method ChEMBL. 19962903
Kinact (binding) = 9.8 uM Inhibition of human recombinant carbonic anhydrase 2 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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