Detailed information for compound 409908

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 225.235 | Formula: C8H5B10O
  • H donors: 1 H acceptors: 1 LogP: 1.42 Rotable bonds: 1
    Rule of 5 violations (Lipinski): 1
  • SMILES: Oc1ccc(cc1)[B]1234[C]567[B]893[B]3%102[C]2%111[B]145[B]457[B]768[B]69%10[B]832[B]%1114[B]5768
  • InChi: 1S/C8H5B10O/c19-6-3-1-5(2-4-6)18-7-9(18)8(18)11(9)10(7,9)12(7)14(7,18)15(8,18)13(8,11)16(10,11,12)17(12,13,14)15/h1-4,19H
  • InChiKey: RGUJIECDMCKBJD-UHFFFAOYSA-N  


Substructure search Similarity search

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Synonyms

No synonyms found for this compound

Targets

Known targets for this compound

No curated genes were found associated with this compound

Predicted pathogen targets for this compound

By orthology
No druggable targets predicted by orthology data
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
Schistosoma mansoni hypothetical protein 0.0071 0.1848 0.1848
Trichomonas vaginalis pc-MYB2, putative 0.0038 0.0836 0.4637
Echinococcus granulosus cadherin EGF LAG seven pass G type receptor 0.0015 0.0128 0.0128
Toxoplasma gondii ATP-dependent DNA helicase, RecQ family protein 0.0016 0.0146 0.1037
Trypanosoma cruzi P-type H+-ATPase, putative 0.0021 0.03 0.1894
Loa Loa (eye worm) TAR-binding protein 0.0062 0.1566 0.4203
Leishmania major P-type H -ATPase, putative 0.0021 0.03 0.1894
Loa Loa (eye worm) hypothetical protein 0.0013 0.0067 0.0173
Echinococcus granulosus Na:K ATPase alpha subunit 0.0026 0.0467 0.0467
Brugia malayi Blistered cuticle protein 3 0.0026 0.046 0.1228
Trichomonas vaginalis chromodomain helicase DNA binding protein, putative 0.0011 0.0003 0.00000000070125
Loa Loa (eye worm) pigment dispersing factor receptor c 0.0048 0.1158 0.3106
Brugia malayi hypothetical protein 0.0026 0.046 0.1228
Schistosoma mansoni ATPase 0.0056 0.1382 0.1382
Plasmodium falciparum thioredoxin reductase 0.0016 0.0146 0.104
Brugia malayi Heterochromatin protein 1 0.0069 0.1801 0.4835
Loa Loa (eye worm) hypothetical protein 0.0026 0.046 0.1228
Trypanosoma brucei trypanothione reductase 0.0046 0.108 0.913
Schistosoma mansoni chromobox protein 0.0011 0.0003 0.0003
Schistosoma mansoni chromobox protein-related (chromobox 1) (heterochromatin 1) 0.0011 0.0003 0.0003
Plasmodium vivax glutathione reductase, putative 0.0046 0.108 0.781
Loa Loa (eye worm) hypothetical protein 0.0015 0.0128 0.0336
Echinococcus multilocularis bloom syndrome protein 0.0024 0.0392 0.0392
Trichomonas vaginalis conserved hypothetical protein 0.0027 0.0504 0.2789
Mycobacterium tuberculosis Possible penicillin-binding protein 0.0245 0.7292 1
Onchocerca volvulus 0.003 0.0596 0.1594
Plasmodium vivax ADP-dependent DNA helicase RecQ, putative 0.0016 0.0152 0.108
Loa Loa (eye worm) hypothetical protein 0.0026 0.046 0.1228
Echinococcus granulosus chromobox protein 1 0.0069 0.1801 0.1801
Loa Loa (eye worm) hypothetical protein 0.0038 0.0847 0.2271
Brugia malayi calcium ATPase 0.0012 0.0022 0.0051
Echinococcus multilocularis musashi 0.0029 0.0547 0.0547
Loa Loa (eye worm) heterochromatin protein 1 0.0069 0.1801 0.4835
Loa Loa (eye worm) glutathione reductase 0.0046 0.108 0.2898
Echinococcus granulosus plasma membrane calcium transporting ATPase 0.0026 0.0467 0.0467
Trichomonas vaginalis chromobox protein, putative 0.0042 0.0948 0.5254
Plasmodium falciparum glutathione reductase 0.0046 0.108 0.781
Entamoeba histolytica plasma membrane calcium ion-transporting ATPase, putative 0.0018 0.0225 0.1205
Schistosoma mansoni hypothetical protein 0.0011 0.0003 0.0003
Mycobacterium tuberculosis Conserved protein 0.0038 0.0847 0.0981
Loa Loa (eye worm) animal heme peroxidase 0.0026 0.046 0.1228
Trichomonas vaginalis chromodomain helicase DNA binding protein, putative 0.0011 0.0003 0.00000000070125
Entamoeba histolytica Plasma membrane calcium-transporting ATPase, putative 0.0033 0.0671 0.3617
Brugia malayi beta-lactamase family protein 0.0038 0.0847 0.2271
Echinococcus multilocularis calcium transporting atpase 0.0049 0.1179 0.1179
Leishmania major hypothetical protein, conserved 0.0038 0.0847 0.5993
Echinococcus multilocularis diuretic hormone 44 receptor GPRdih2 0.0015 0.0128 0.0128
Loa Loa (eye worm) hypothetical protein 0.0026 0.046 0.1228
Trichomonas vaginalis C-MYB, putative 0.0038 0.0836 0.4637
Brugia malayi cytoplasmic intermediate filament protein 0.0015 0.0131 0.0345
Onchocerca volvulus Peroxidasin homolog 0.0026 0.046 0.1228
Trichomonas vaginalis penicillin-binding protein, putative 0.0038 0.0847 0.4697
Trichomonas vaginalis chromodomain-helicase-DNA-binding protein, putative 0.0011 0.0003 0.00000000070125
Plasmodium vivax P-type ATPase4, putative 0.0056 0.1382 1
Plasmodium falciparum ADP-dependent DNA helicase RecQ 0.0021 0.0302 0.2166
Trypanosoma cruzi calcium motive p-type ATPase, putative 0.0026 0.0467 0.3146
Plasmodium falciparum glutathione reductase 0.0016 0.0146 0.104
Mycobacterium tuberculosis Probable lipase LipE 0.0038 0.0847 0.0981
Wolbachia endosymbiont of Brugia malayi dihydrolipoamide dehydrogenase E3 component 0.0016 0.0146 0.5
Mycobacterium ulcerans esterase/lipase LipP 0.0038 0.0847 0.567
Plasmodium vivax thioredoxin reductase, putative 0.0046 0.108 0.781
Onchocerca volvulus 0.0033 0.0671 0.1796
Mycobacterium tuberculosis NAD(P)H quinone reductase LpdA 0.0116 0.3275 0.4378
Trypanosoma cruzi plasma membrane Ca2+ ATPase 0.0033 0.0671 0.467
Trichomonas vaginalis D-aminoacylase, putative 0.0038 0.0847 0.4697
Loa Loa (eye worm) cytoplasmic intermediate filament protein 0.0015 0.0131 0.0345
Trichomonas vaginalis chromodomain helicase DNA binding protein, putative 0.0011 0.0003 0.00000000070125
Onchocerca volvulus 0.0026 0.046 0.1228
Brugia malayi Pyridine nucleotide-disulphide oxidoreductase, dimerisation domain containing protein 0.0012 0.0015 0.0032
Loa Loa (eye worm) thioredoxin reductase 0.0046 0.108 0.2898
Schistosoma mansoni tar DNA-binding protein 0.0062 0.1566 0.1566
Loa Loa (eye worm) animal heme peroxidase 0.0026 0.046 0.1228
Echinococcus multilocularis GPCR, family 2 0.0015 0.0128 0.0128
Brugia malayi CHD4 protein 0.0011 0.0003 0.00000000033904
Loa Loa (eye worm) hypothetical protein 0.0131 0.3721 1
Mycobacterium tuberculosis Probable NADH dehydrogenase Ndh 0.0105 0.2911 0.3869
Trypanosoma cruzi plasma membrane Ca2+ ATPase 0.0033 0.0671 0.467
Brugia malayi haloacid dehalogenase-like hydrolase family protein 0.0018 0.0225 0.0598
Trypanosoma brucei calcium motive p-type ATPase, putative 0.0026 0.0467 0.3711
Trichomonas vaginalis r2r3-MYB transcription factor, putative 0.0038 0.0836 0.4637
Mycobacterium tuberculosis Possible conserved lipoprotein LpqK 0.0038 0.0847 0.0981
Brugia malayi RNA recognition motif domain containing protein 0.0062 0.1566 0.4203
Loa Loa (eye worm) blistered cuticle protein 3 0.0026 0.046 0.1228
Trypanosoma cruzi dihydrolipoyl dehydrogenase, putative 0.0016 0.0146 0.0746
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.0048 0.1158 0.3106
Mycobacterium tuberculosis Probable hydrolase 0.0038 0.0847 0.0981
Loa Loa (eye worm) hypothetical protein 0.0014 0.0084 0.0217
Schistosoma mansoni chromodomain helicase DNA binding protein 0.0011 0.0003 0.0003
Leishmania major vacuolar-type Ca2 -ATPase, putative 0.0033 0.0671 0.467
Schistosoma mansoni hypothetical protein 0.0015 0.0128 0.0128
Plasmodium falciparum non-SERCA-type Ca2+ -transporting P-ATPase 0.0056 0.1382 1
Onchocerca volvulus Huntingtin homolog 0.0131 0.3721 1
Echinococcus granulosus calcium transporting atpase 0.0049 0.1179 0.1179
Entamoeba histolytica calcium-transporting P-type ATPase, putative 0.0033 0.0671 0.3617
Trichomonas vaginalis MYB, putative 0.0038 0.0842 0.4668
Trypanosoma cruzi dihydrolipoamide dehydrogenase, putative 0.0016 0.0146 0.0746
Trypanosoma brucei dihydrolipoamide dehydrogenase, point mutation 0.0016 0.0146 0.088
Echinococcus multilocularis peroxidasin 0.0026 0.046 0.046
Entamoeba histolytica hypothetical protein 0.0071 0.1848 1
Trichomonas vaginalis glutathione reductase, putative 0.0016 0.0146 0.0798
Echinococcus multilocularis lamin dm0 0.0029 0.0547 0.0547
Schistosoma mansoni tar DNA-binding protein 0.0062 0.1566 0.1566
Schistosoma mansoni hypothetical protein 0.0033 0.0681 0.0681
Trichomonas vaginalis D-aminoacylase, putative 0.0038 0.0847 0.4697
Schistosoma mansoni tar DNA-binding protein 0.0062 0.1566 0.1566
Leishmania major dihydrolipoamide dehydrogenase, putative 0.0016 0.0146 0.0746
Brugia malayi Animal haem peroxidase family protein 0.0026 0.046 0.1228
Schistosoma mansoni histone-lysine n-methyltransferase suv9 0.0011 0.0003 0.0003
Brugia malayi Animal haem peroxidase family protein 0.0026 0.046 0.1228
Trichomonas vaginalis D-aminoacylase, putative 0.0038 0.0847 0.4697
Brugia malayi hypothetical protein 0.0025 0.0429 0.1145
Trichomonas vaginalis r2r3-MYB transcription factor, putative 0.0038 0.0836 0.4637
Echinococcus multilocularis chromobox protein 2 0.0011 0.0003 0.0003
Trichomonas vaginalis chromodomain-helicase-DNA-binding protein, putative 0.0011 0.0003 0.00000000070125
Mycobacterium ulcerans beta-lactamase 0.0038 0.0847 0.567
Schistosoma mansoni ATPase 0.0056 0.1382 0.1382
Brugia malayi Latrophilin receptor protein 2 0.0015 0.0128 0.0336
Echinococcus multilocularis dihydrolipoamide dehydrogenase 0.0016 0.0146 0.0146
Loa Loa (eye worm) hypothetical protein 0.0056 0.1382 0.371
Echinococcus granulosus Ca2 transporting ATPase plasma membrane 0.0026 0.0467 0.0467
Brugia malayi Animal haem peroxidase family protein 0.0026 0.046 0.1228
Brugia malayi intermediate filament protein 0.0029 0.0547 0.1463
Trichomonas vaginalis DNA helicase recq1, putative 0.0024 0.0392 0.2163
Loa Loa (eye worm) hypothetical protein 0.0026 0.046 0.1228
Trichomonas vaginalis plasma membrane calcium-transporting ATPase, putative 0.0033 0.0671 0.3714
Entamoeba histolytica hypothetical protein 0.0071 0.1848 1
Echinococcus granulosus GPCR family 2 0.0015 0.0128 0.0128
Loa Loa (eye worm) beta-LACTamase domain containing family member 0.0038 0.0847 0.2271
Toxoplasma gondii chromodomain helicase DNA binding protein CHD1/SWI2/SNF2 0.0011 0.0003 0.00000000091379
Trichomonas vaginalis r2r3-MYB transcription factor, putative 0.0038 0.0836 0.4637
Loa Loa (eye worm) beta-lactamase 0.0038 0.0847 0.2271
Echinococcus multilocularis chromobox protein 1 0.0069 0.1801 0.1801
Onchocerca volvulus 0.0038 0.0847 0.2271
Trichomonas vaginalis plasma membrane calcium-transporting ATPase, putative 0.0026 0.0467 0.2581
Trichomonas vaginalis plasma membrane calcium-transporting ATPase, putative 0.0033 0.0671 0.3714
Brugia malayi Probable calcium-transporting ATPase KIAA0703 0.0039 0.0852 0.2283
Trichomonas vaginalis DNA helicase recq, putative 0.0024 0.0392 0.2163
Loa Loa (eye worm) animal heme peroxidase 0.0026 0.046 0.1228
Echinococcus granulosus Chromo domain 0.0011 0.0003 0.0003
Onchocerca volvulus 0.0026 0.046 0.1228
Trypanosoma cruzi hypothetical protein, conserved 0.0038 0.0847 0.5993
Trypanosoma cruzi plasma-membrane proton-efflux P-type ATPase, putative 0.0014 0.0096 0.037
Wolbachia endosymbiont of Brugia malayi dihydrolipoamide dehydrogenase E3 component 0.0016 0.0146 0.5
Trypanosoma cruzi calcium motive p-type ATPase, putative 0.0026 0.0467 0.3146
Entamoeba histolytica myb-like DNA-binding domain containing protein 0.0038 0.0836 0.4516
Schistosoma mansoni hypothetical protein 0.0332 1 1
Toxoplasma gondii P-type ATPase4, putative 0.0033 0.0671 0.4839
Toxoplasma gondii plasma membrane-type Ca(2+)-ATPase A1 PMCAA1 0.0026 0.0467 0.3364
Trypanosoma brucei P-type H+-ATPase, putative 0.0021 0.03 0.2235
Loa Loa (eye worm) hypothetical protein 0.0026 0.046 0.1228
Leishmania major P-type H -ATPase, putative 0.0021 0.03 0.1894
Mycobacterium tuberculosis Probable reductase 0.0105 0.2911 0.3869
Trichomonas vaginalis chromodomain helicase DNA binding protein, putative 0.0011 0.0003 0.00000000070125
Onchocerca volvulus 0.0038 0.0847 0.2271
Entamoeba histolytica hypothetical protein 0.0071 0.1848 1
Trichomonas vaginalis conserved hypothetical protein 0.0039 0.0856 0.4746
Trichomonas vaginalis r2r3-MYB transcription factor, putative 0.0038 0.0836 0.4637
Loa Loa (eye worm) hypothetical protein 0.0033 0.0681 0.1824
Mycobacterium tuberculosis Putative ferredoxin reductase 0.0105 0.2911 0.3869
Schistosoma mansoni peroxidasin 0.0026 0.046 0.046
Echinococcus multilocularis cytoplasmic intermediate filament protein 0.0014 0.0084 0.0084
Trichomonas vaginalis chromodomain-helicase-DNA-binding protein, putative 0.0011 0.0003 0.00000000070125
Loa Loa (eye worm) hypothetical protein 0.0012 0.0022 0.0051
Brugia malayi Na,K-ATPase alpha subunit 0.0033 0.0671 0.1796
Loa Loa (eye worm) hypothetical protein 0.0026 0.046 0.1228
Trypanosoma cruzi dihydrolipoamide dehydrogenase, putative 0.0016 0.0146 0.0746
Schistosoma mansoni peroxidasin 0.0026 0.046 0.046
Trypanosoma brucei P-type H+-ATPase, putative 0.0021 0.03 0.2235
Brugia malayi Thioredoxin reductase 0.0046 0.108 0.2898
Trichomonas vaginalis pc-MYB2, putative 0.0038 0.0836 0.4637
Plasmodium falciparum thioredoxin reductase 0.0046 0.108 0.781
Schistosoma mansoni plasma membrane calcium-transporting atpase 0.0026 0.0467 0.0467
Trichomonas vaginalis chromodomain-helicase-DNA-binding protein, putative 0.0011 0.0003 0.00000000070125
Echinococcus multilocularis chromodomain helicase DNA binding protein 4 0.0011 0.0003 0.0003
Trichomonas vaginalis chromodomain helicase DNA binding protein, putative 0.0011 0.0003 0.00000000070125
Loa Loa (eye worm) hypothetical protein 0.0026 0.046 0.1228
Trichomonas vaginalis MYB3r3, putative 0.0038 0.0836 0.4637
Mycobacterium tuberculosis Conserved protein 0.0038 0.0847 0.0981
Echinococcus multilocularis Chromobox protein 3 0.0011 0.0003 0.0003
Loa Loa (eye worm) hypothetical protein 0.0014 0.0096 0.0251
Entamoeba histolytica chromodomain-helicase-DNA-binding protein, putative 0.0011 0.0003 0.00000000068303
Loa Loa (eye worm) hypothetical protein 0.0029 0.0547 0.1463
Loa Loa (eye worm) hypothetical protein 0.0038 0.0847 0.2271
Mycobacterium tuberculosis Probable nitrite reductase [NAD(P)H] large subunit [FAD flavoprotein] NirB 0.0105 0.2911 0.3869
Echinococcus multilocularis chromodomain helicase DNA binding protein 1 0.0011 0.0003 0.0003
Loa Loa (eye worm) MH2 domain-containing protein 0.0116 0.326 0.8759
Schistosoma mansoni transcription factor LCR-F1 0.0071 0.1848 0.1848
Entamoeba histolytica Plasma membrane calcium-transporting ATPase, putative 0.0033 0.0671 0.3617
Plasmodium falciparum calcium-transporting ATPase 0.0049 0.1179 0.8524
Brugia malayi beta-lactamase family protein 0.0038 0.0847 0.2271
Toxoplasma gondii E1-E2 ATPase subfamily protein 0.0014 0.0096 0.0677
Mycobacterium tuberculosis Probable metal cation transporter P-type ATPase A CtpF 0.0023 0.0363 0.0303
Trichomonas vaginalis plasma membrane calcium-transporting ATPase, putative 0.0033 0.0671 0.3714
Loa Loa (eye worm) sodium/potassium-transporting ATPase subunit alpha 0.0022 0.0344 0.0916
Loa Loa (eye worm) transcription factor SMAD2 0.0116 0.326 0.8759
Loa Loa (eye worm) hypothetical protein 0.0033 0.069 0.1848
Brugia malayi RNA binding protein 0.0062 0.1566 0.4203
Loa Loa (eye worm) hypothetical protein 0.0038 0.0847 0.2271
Loa Loa (eye worm) hypothetical protein 0.0033 0.0671 0.1796
Schistosoma mansoni intermediate filament proteins 0.0029 0.0547 0.0547
Onchocerca volvulus Huntingtin homolog 0.0131 0.3721 1
Trypanosoma brucei calcium-translocating P-type ATPase 0.0049 0.1179 1
Loa Loa (eye worm) Na,K-ATPase alpha subunit 0.0033 0.0671 0.1796
Trichomonas vaginalis r2r3-MYB transcription factor, putative 0.0038 0.0836 0.4637
Trypanosoma cruzi P-type H+-ATPase, putative 0.0014 0.0096 0.037
Trichomonas vaginalis MYB72, putative 0.0038 0.0836 0.4637
Loa Loa (eye worm) hypothetical protein 0.0038 0.0847 0.2271
Schistosoma mansoni na+/k+ atpase alpha subunit 0.0026 0.0467 0.0467
Brugia malayi glutathione reductase 0.0046 0.108 0.2898
Echinococcus multilocularis Chromo domain 0.0011 0.0003 0.0003
Brugia malayi calcium ATPase 0.0014 0.0096 0.0251
Loa Loa (eye worm) CHromoDomain protein family member 0.0011 0.0003 0.00000000033904
Echinococcus multilocularis geminin 0.0332 1 1
Trichomonas vaginalis r2r3-MYB transcription factor, putative 0.0038 0.0842 0.4668
Mycobacterium leprae conserved hypothetical protein 0.0038 0.0847 0.1718
Loa Loa (eye worm) E1-E2 ATPase 0.0021 0.03 0.0798
Brugia malayi hypothetical protein 0.0016 0.0153 0.0404
Brugia malayi Hypothetical 52.5 kDa protein ZK945.1 in chromosome II, putative 0.0038 0.0847 0.2271
Brugia malayi beta-lactamase 0.0038 0.0847 0.2271
Leishmania major calcium-translocating P-type ATPase 0.0056 0.1382 1
Loa Loa (eye worm) hypothetical protein 0.0026 0.046 0.1228
Entamoeba histolytica hypothetical protein 0.0011 0.0003 0.00000000068303
Loa Loa (eye worm) intermediate filament protein 0.0029 0.0547 0.1463
Onchocerca volvulus Heterochromatin protein 1 homolog 0.0039 0.0856 0.2294
Entamoeba histolytica hypothetical protein 0.0071 0.1848 1
Giardia lamblia Myb 1-like protein 0.0038 0.0842 1
Schistosoma mansoni chromobox protein 0.0069 0.1801 0.1801
Leishmania major 2-oxoglutarate dehydrogenase, e3 component, lipoamidedehydrogenase-like protein 0.0016 0.0146 0.0746
Schistosoma mansoni plasma membrane calcium-transporting atpase 0.0026 0.0467 0.0467
Schistosoma mansoni calcium-transporting atpase sarcoplasmic/endoplasmic reticulum type (calcium pump) 0.0049 0.1179 0.1179
Trypanosoma brucei dihydrolipoamide dehydrogenase 0.0016 0.0146 0.088
Loa Loa (eye worm) hypothetical protein 0.0048 0.1158 0.3106
Echinococcus multilocularis Ca2+ transporting ATPase plasma membrane 0.0026 0.0467 0.0467
Plasmodium vivax calcium-transporting ATPase, putative 0.0056 0.1382 1
Brugia malayi Calcitonin receptor-like protein seb-1 0.0048 0.1158 0.3106
Schistosoma mansoni family S12 unassigned peptidase (S12 family) 0.0038 0.0847 0.0847
Onchocerca volvulus Chorion peroxidase homolog 0.0026 0.046 0.1228
Schistosoma mansoni family S12 unassigned peptidase (S12 family) 0.0038 0.0847 0.0847
Entamoeba histolytica myb-like DNA-binding domain containing protein 0.0038 0.0836 0.4516
Echinococcus granulosus Basic leucine zipper bZIP transcription 0.0071 0.1848 0.1848
Plasmodium falciparum ataxin-2 like protein, putative 0.0025 0.0429 0.3087
Leishmania major dihydrolipoamide dehydrogenase, putative 0.0016 0.0146 0.0746
Schistosoma mansoni blooms syndrome DNA helicase 0.0019 0.0236 0.0236
Trypanosoma brucei hypothetical protein, conserved 0.0038 0.0847 0.707
Mycobacterium tuberculosis Conserved protein 0.0038 0.0847 0.0981
Trypanosoma brucei dihydrolipoamide dehydrogenase 0.0016 0.0146 0.088
Loa Loa (eye worm) hypothetical protein 0.0131 0.3721 1
Leishmania major trypanothione reductase 0.0046 0.108 0.7738
Trichomonas vaginalis chromodomain-helicase-DNA-binding protein, putative 0.0011 0.0003 0.00000000070125
Mycobacterium tuberculosis Possible metal cation transporting P-type ATPase CtpH 0.0022 0.0344 0.0276
Trypanosoma brucei vacuolar-type Ca2+-ATPase 2 0.0033 0.0671 0.5509
Onchocerca volvulus Peroxidase homolog 0.0026 0.046 0.1228
Trichomonas vaginalis chromodomain helicase DNA binding protein, putative 0.0011 0.0003 0.00000000070125
Echinococcus granulosus chromodomain helicase DNA binding protein 4 0.0011 0.0003 0.0003
Loa Loa (eye worm) RecQ helicase 0.0024 0.0392 0.1046
Entamoeba histolytica Plasma membrane calcium-transporting ATPase, putative 0.0033 0.0671 0.3617
Onchocerca volvulus Peroxidase homolog 0.0026 0.046 0.1228
Giardia lamblia Plasma membrane calcium-transporting ATPase 2 0.0033 0.0671 0.7536
Loa Loa (eye worm) hypothetical protein 0.0038 0.0847 0.2271
Toxoplasma gondii pyruvate dehydrogenase complex subunit PDH-E3II 0.0016 0.0146 0.104
Brugia malayi dihydrolipoyl dehydrogenase, mitochondrial precursor, putative 0.0016 0.0146 0.0386
Echinococcus multilocularis calcium transporting ATPase type 2C member 0.0056 0.1382 0.1382
Schistosoma mansoni tar DNA-binding protein 0.0062 0.1566 0.1566
Echinococcus multilocularis lamin 0.0029 0.0547 0.0547
Schistosoma mansoni calcium-transporting atpase 2 (atpase 2) 0.0049 0.1179 0.1179
Echinococcus multilocularis thioredoxin glutathione reductase 0.0046 0.108 0.108
Echinococcus multilocularis cadherin EGF LAG seven pass G type receptor 0.0015 0.0128 0.0128
Loa Loa (eye worm) intermediate filament tail domain-containing protein 0.0029 0.0547 0.1463
Brugia malayi Membrane calcium atpase protein 3 0.0026 0.0467 0.1248
Echinococcus granulosus peroxidasin 0.0026 0.046 0.046
Brugia malayi Animal haem peroxidase family protein 0.0026 0.046 0.1228
Loa Loa (eye worm) hypothetical protein 0.0013 0.0067 0.0173
Loa Loa (eye worm) RNA binding protein 0.0062 0.1566 0.4203
Loa Loa (eye worm) hypothetical protein 0.012 0.3379 0.908
Trichomonas vaginalis chromodomain helicase DNA binding protein, putative 0.0011 0.0003 0.00000000070125
Brugia malayi Calcium-transporting ATPase sarcoplasmic/endoplasmic reticulum type 0.0049 0.1179 0.3163
Onchocerca volvulus Peroxidasin homolog 0.0026 0.046 0.1228
Entamoeba histolytica myb-like DNA-binding domain containing protein 0.0038 0.0836 0.4516
Plasmodium falciparum chromodomain-helicase-DNA-binding protein 1 homolog, putative 0.0011 0.0003 0.00000000091379
Schistosoma mansoni chromobox protein-related (chromobox 1) (heterochromatin 1) 0.0011 0.0003 0.0003
Trichomonas vaginalis esterase, putative 0.0038 0.0847 0.4697
Toxoplasma gondii sarco/endoplasmic reticulum Ca2+-ATPase 0.0056 0.1382 1
Brugia malayi TAR-binding protein 0.0062 0.1566 0.4203
Trichomonas vaginalis conserved hypothetical protein 0.0039 0.0856 0.4746
Schistosoma mansoni hypothetical protein 0.0015 0.0128 0.0128
Leishmania major vacuolar-type Ca2 -ATPase, putative 0.0033 0.0671 0.467
Toxoplasma gondii ABC1 family protein 0.0038 0.0847 0.612
Trichomonas vaginalis chromobox protein, putative 0.0042 0.0948 0.5254
Echinococcus granulosus lamin 0.0029 0.0547 0.0547
Toxoplasma gondii P-type ATPase PMA1 0.0021 0.03 0.2152
Trypanosoma cruzi hypothetical protein, conserved 0.0038 0.0847 0.5993
Echinococcus granulosus chromodomain helicase DNA binding protein 1 0.0011 0.0003 0.0003
Loa Loa (eye worm) hypothetical protein 0.0026 0.046 0.1228
Entamoeba histolytica myb-like DNA-binding domain containing protein 0.0038 0.0836 0.4516
Chlamydia trachomatis dihydrolipoyl dehydrogenase 0.0016 0.0146 0.5
Trypanosoma cruzi trypanothione reductase, putative 0.0046 0.108 0.7738
Giardia lamblia Plasma membrane calcium-transporting ATPase 2 0.0026 0.0467 0.4609
Echinococcus granulosus Chromobox protein 3 0.0011 0.0003 0.0003
Trypanosoma brucei vacuolar-type Ca2+-ATPase, putative 0.0033 0.0671 0.5509
Loa Loa (eye worm) hypothetical protein 0.0038 0.0847 0.2271
Echinococcus granulosus plasma membrane calcium transporting ATPase 2 0.0033 0.0671 0.0671
Plasmodium vivax dihydrolipoyl dehydrogenase, apicoplast, putative 0.0016 0.0146 0.104
Echinococcus multilocularis sarco:endoplasmic reticulum calcium ATPase 0.0056 0.1382 0.1382
Loa Loa (eye worm) RNA recognition domain-containing protein domain-containing protein 0.0062 0.1566 0.4203
Entamoeba histolytica recQ family helicase, putative 0.0013 0.0047 0.0238
Mycobacterium tuberculosis Probable oxidoreductase 0.0116 0.3275 0.4378
Loa Loa (eye worm) hypothetical protein 0.0016 0.014 0.0369
Leishmania major P-type ATPase, putative 0.0026 0.0467 0.3146
Schistosoma mansoni calcium-transporting atpase sarcoplasmic/endoplasmic reticulum type (calcium pump) 0.0049 0.1179 0.1179
Trypanosoma cruzi dihydrolipoamide dehydrogenase, putative 0.0016 0.0146 0.0746
Leishmania major hypothetical protein, conserved 0.0025 0.0429 0.286
Plasmodium vivax dihydrolipoyl dehydrogenase, mitochondrial, putative 0.0016 0.0146 0.104
Brugia malayi Sodium/potassium-transporting ATPase alpha-3 chain, putative 0.0014 0.0096 0.0251
Treponema pallidum NADH oxidase 0.0016 0.0146 0.5
Schistosoma mansoni chromodomain helicase DNA binding protein 0.0011 0.0003 0.0003
Brugia malayi Type III restriction enzyme, res subunit family protein 0.0011 0.0003 0.00000000033904
Schistosoma mansoni lamin 0.0029 0.0547 0.0547
Trichomonas vaginalis cation-transporting ATPase, putative 0.0056 0.1382 0.7674
Schistosoma mansoni hypothetical protein 0.0332 1 1
Trypanosoma brucei vacuolar-type Ca2+-ATPase 1 0.0033 0.0671 0.5509
Echinococcus granulosus thioredoxin glutathione reductase 0.0046 0.108 0.108
Loa Loa (eye worm) calcium-transporting ATPase sarcoplasmic/endoplasmic reticulum type 0.0039 0.0852 0.2283
Onchocerca volvulus Dual oxidase homolog 0.0026 0.046 0.1228
Echinococcus granulosus beta LACTamase domain containing family member 0.0038 0.0847 0.0847
Plasmodium vivax hypothetical protein, conserved 0.0011 0.0003 0.00000000091379
Mycobacterium tuberculosis Probable membrane NADH dehydrogenase NdhA 0.0105 0.2911 0.3869
Echinococcus granulosus chromobox protein 2 0.0011 0.0003 0.0003
Mycobacterium ulcerans fusion of enoyl-CoA hydratase, EchA21 and lipase, LipE 0.0038 0.0847 0.567
Mycobacterium tuberculosis Dihydrolipoamide dehydrogenase LpdC (lipoamide reductase (NADH)) (lipoyl dehydrogenase) (dihydrolipoyl dehydrogenase) (diaphoras 0.0116 0.3275 0.4378
Trichomonas vaginalis cation-transporting ATPase fungi, putative 0.0033 0.0671 0.3714
Brugia malayi E1-E2 ATPase family protein 0.0021 0.03 0.0798
Echinococcus granulosus calcium transporting ATPase type 2C member 0.0056 0.1382 0.1382
Schistosoma mansoni chromobox protein 0.0069 0.1801 0.1801
Toxoplasma gondii LsmAD domain-containing protein 0.0025 0.0429 0.3087
Brugia malayi alpha keto acid dehydrogenase complex, E3 component, lipoamide dehydrogenase 0.0012 0.0015 0.0032
Plasmodium vivax ataxin-2 like protein, putative 0.0025 0.0429 0.3087
Echinococcus granulosus diuretic hormone 44 receptor GPRdih2 0.0015 0.0128 0.0128
Plasmodium falciparum dihydrolipoyl dehydrogenase, mitochondrial 0.0016 0.0146 0.104
Echinococcus granulosus cytoplasmic intermediate filament protein 0.0014 0.0084 0.0084
Mycobacterium tuberculosis Probable dehydrogenase 0.0105 0.2911 0.3869
Schistosoma mansoni lamin 0.0029 0.0547 0.0547
Trypanosoma cruzi dihydrolipoyl dehydrogenase, putative 0.0016 0.0146 0.0746
Trypanosoma cruzi calcium-translocating P-type ATPase, putative 0.0014 0.0096 0.037
Loa Loa (eye worm) calcium ATPase 0.0018 0.0225 0.0598
Echinococcus granulosus intermediate filament protein 0.0029 0.0547 0.0547
Mycobacterium tuberculosis Probable esterase LipL 0.0038 0.0847 0.0981
Loa Loa (eye worm) hypothetical protein 0.0026 0.046 0.1228
Trichomonas vaginalis DNA helicase recq, putative 0.0013 0.0047 0.0244
Onchocerca volvulus 0.0026 0.046 0.1228
Trypanosoma cruzi PAB1-binding protein , putative 0.0025 0.0429 0.286
Toxoplasma gondii calcium-translocating P-type ATPase, PMCA-type protein 0.0033 0.0671 0.4839
Brugia malayi calcium-independent alpha-latrotoxin receptor 2, putative 0.0015 0.0128 0.0336
Loa Loa (eye worm) hypothetical protein 0.0028 0.0531 0.1419
Toxoplasma gondii NADPH-glutathione reductase 0.0016 0.0146 0.104
Brugia malayi Sodium/potassium-transporting ATPase alpha chain, putative 0.0022 0.0344 0.0916
Mycobacterium tuberculosis Probable esterase/lipase LipP 0.0038 0.0847 0.0981
Toxoplasma gondii Myb family DNA-binding domain-containing protein 0.0038 0.0842 0.6082
Mycobacterium ulcerans metal cation transporter p-type ATPase a 0.0033 0.0671 0.424
Loa Loa (eye worm) hypothetical protein 0.0026 0.046 0.1228
Mycobacterium ulcerans hypothetical protein 0.0038 0.0847 0.567
Loa Loa (eye worm) hypothetical protein 0.0011 0.0003 0.00000000033904
Loa Loa (eye worm) latrophilin receptor protein 2 0.0015 0.0128 0.0336
Mycobacterium ulcerans lipase LipD 0.0038 0.0847 0.567
Trichomonas vaginalis cation-transporting ATPase, putative 0.0056 0.1382 0.7674
Brugia malayi latrophilin 2 splice variant baaae 0.0033 0.0681 0.1824
Mycobacterium tuberculosis NADPH-dependent mycothiol reductase Mtr 0.0046 0.108 0.1307
Brugia malayi Bloom's syndrome protein homolog 0.0024 0.0392 0.1046
Echinococcus granulosus sarco:endoplasmic reticulum calcium ATPase 0.0056 0.1382 0.1382
Trypanosoma cruzi dihydrolipoamide dehydrogenase, putative 0.0016 0.0146 0.0746
Echinococcus multilocularis Na+:K+ ATPase alpha subunit 0.0026 0.0467 0.0467
Trichomonas vaginalis conserved hypothetical protein 0.0027 0.0504 0.2789
Onchocerca volvulus Heterochromatin protein 1 homolog 0.0042 0.0948 0.254
Trypanosoma cruzi dihydrolipoamide dehydrogenase, putative 0.0016 0.0146 0.0746
Trypanosoma cruzi trypanothione reductase, putative 0.0016 0.0146 0.0746
Plasmodium falciparum ataxin-2 like protein, putative 0.0025 0.0429 0.3087
Trichomonas vaginalis penicillin-binding protein, putative 0.0038 0.0847 0.4697
Onchocerca volvulus 0.0029 0.0547 0.1463
Echinococcus granulosus tar DNA binding protein 0.0062 0.1566 0.1566
Schistosoma mansoni hypothetical protein 0.0015 0.0128 0.0128
Plasmodium vivax hypothetical protein, conserved 0.0038 0.0847 0.612
Entamoeba histolytica plasma membrane calcium-transporting ATPase 1, putative 0.0018 0.0225 0.1205
Schistosoma mansoni chromobox protein 0.0011 0.0003 0.0003
Echinococcus granulosus bloom syndrome protein 0.0024 0.0392 0.0392
Trichomonas vaginalis r2r3-MYB transcription factor, putative 0.0038 0.0842 0.4668
Echinococcus multilocularis chromobox protein 1 0.0069 0.1801 0.1801
Schistosoma mansoni dihydrolipoamide dehydrogenase 0.0016 0.0146 0.0146
Trypanosoma brucei dihydrolipoyl dehydrogenase 0.0016 0.0146 0.088
Onchocerca volvulus 0.0029 0.0547 0.1463
Trypanosoma cruzi calcium-translocating P-type ATPase, putative 0.0035 0.0734 0.5143
Trichomonas vaginalis chromobox protein, putative 0.0069 0.1801 1
Echinococcus multilocularis beta LACTamase domain containing family member 0.0038 0.0847 0.0847
Trichomonas vaginalis cation-transporting ATPase, putative 0.0021 0.03 0.1652
Echinococcus granulosus lamin dm0 0.0029 0.0547 0.0547
Brugia malayi Peroxidasin 0.0026 0.046 0.1228
Mycobacterium ulcerans cation-transporter ATPase I CtpI 0.0022 0.0344 0.1595
Loa Loa (eye worm) hypothetical protein 0.0026 0.046 0.1228
Trypanosoma cruzi calcium-transporting ATPase, putative 0.0016 0.014 0.0698
Loa Loa (eye worm) hypothetical protein 0.0026 0.046 0.1228
Brugia malayi Animal haem peroxidase family protein 0.0026 0.046 0.1228
Trichomonas vaginalis r2r3-MYB transcription factor, putative 0.0038 0.0836 0.4637
Trichomonas vaginalis cation-transporting ATPase, putative 0.0033 0.0671 0.3714
Trichomonas vaginalis plasma membrane calcium-transporting ATPase, putative 0.0033 0.0671 0.3714
Trichomonas vaginalis mercuric reductase, putative 0.0016 0.0146 0.0798
Brugia malayi hypothetical protein 0.0071 0.1848 0.4964
Brugia malayi Associated with TFs and helicases family protein 0.0011 0.0003 0.00000000033904
Echinococcus multilocularis Tetracycline resistance leader peptide, TetL 0.0033 0.0671 0.0671
Echinococcus multilocularis Basic leucine zipper (bZIP) transcription 0.0071 0.1848 0.1848
Trypanosoma cruzi dihydrolipoamide dehydrogenase, putative 0.0016 0.0146 0.0746
Trypanosoma cruzi P-type H+-ATPase, putative 0.0021 0.03 0.1894
Leishmania major calcium motive p-type ATPase, putative 0.0026 0.0467 0.3146
Loa Loa (eye worm) hypothetical protein 0.0039 0.0856 0.2294
Trypanosoma cruzi PAB1-binding protein , putative 0.0025 0.0429 0.286
Trypanosoma brucei calcium-transporting ATPase, putative 0.0016 0.014 0.0823
Mycobacterium tuberculosis Probable conserved lipoprotein 0.0038 0.0847 0.0981
Echinococcus multilocularis tar DNA binding protein 0.0062 0.1566 0.1566
Loa Loa (eye worm) hypothetical protein 0.003 0.0596 0.1594
Leishmania major calcium-transporting ATPase, putative 0.0026 0.0467 0.3146
Toxoplasma gondii thioredoxin reductase 0.0046 0.108 0.781
Leishmania major acetoin dehydrogenase e3 component-like protein 0.0016 0.0146 0.0746
Loa Loa (eye worm) sodium potassium adenosine triphosphatase 0.0014 0.0096 0.0251
Echinococcus granulosus chromobox protein 1 0.0069 0.1801 0.1801
Entamoeba histolytica plasma membrane calcium ion-transporting ATPase, putative 0.0014 0.0096 0.0506
Giardia lamblia Potassium-transporting ATPase alpha chain 1 0.0026 0.0467 0.4609
Trichomonas vaginalis C-MYB, putative 0.0038 0.0836 0.4637
Mycobacterium leprae DIHYDROLIPOAMIDE DEHYDROGENASE LPD (LIPOAMIDE REDUCTASE (NADH)) (LIPOYL DEHYDROGENASE) (DIHYDROLIPOYL DEHYDROGENASE) (DIAPHORASE 0.0116 0.3275 1
Echinococcus multilocularis plasma membrane calcium transporting ATPase 0.0026 0.0467 0.0467
Echinococcus granulosus dihydrolipoamide dehydrogenase 0.0016 0.0146 0.0146
Schistosoma mansoni tar DNA-binding protein 0.0062 0.1566 0.1566
Entamoeba histolytica chromodomain-helicase-DNA-binding protein, putative 0.0011 0.0003 0.00000000068303
Brugia malayi chromobox protein homolog 3 0.0039 0.0856 0.2294
Mycobacterium ulcerans metal cation-transporting p-type ATPase F, CtpF 0.0056 0.1382 1
Trypanosoma brucei PAB1-binding protein , putative 0.0025 0.0429 0.3374
Loa Loa (eye worm) animal heme peroxidase 0.0026 0.046 0.1228
Mycobacterium tuberculosis Probable lipase LipD 0.0038 0.0847 0.0981
Schistosoma mansoni Na+/K+ transporting ATPase subunit alpha 0.0033 0.0671 0.0671
Trichomonas vaginalis plasma membrane calcium-transporting ATPase, putative 0.0033 0.0671 0.3714
Trichomonas vaginalis chromobox protein, putative 0.0069 0.1801 1
Mycobacterium leprae Probable lipase LipE 0.0038 0.0847 0.1718
Brugia malayi MH2 domain containing protein 0.0116 0.326 0.8759
Mycobacterium leprae PROBABLE NADH DEHYDROGENASE NDH 0.0105 0.2911 0.8759
Brugia malayi hypothetical protein 0.0131 0.3721 1
Brugia malayi Intermediate filament tail domain containing protein 0.0029 0.0547 0.1463
Trichomonas vaginalis chromodomain helicase DNA binding protein, putative 0.0011 0.0003 0.00000000070125
Schistosoma mansoni hypothetical protein 0.0015 0.0128 0.0128
Plasmodium falciparum dihydrolipoyl dehydrogenase, apicoplast 0.0016 0.0146 0.104
Loa Loa (eye worm) hypothetical protein 0.0025 0.0429 0.1145
Trypanosoma cruzi Calcium ATPase SERCA-like 0.0056 0.1382 1
Loa Loa (eye worm) hypothetical protein 0.0026 0.046 0.1228
Onchocerca volvulus 0.0038 0.0847 0.2271
Entamoeba histolytica myb-like DNA-binding domain containing protein 0.0038 0.0836 0.4516
Entamoeba histolytica chromodomain-helicase-DNA-binding protein, putative 0.0011 0.0003 0.00000000068303

Activities

Activity type Activity value Assay description Source Reference
I/IC50 (binding) = -0.981 log(I/IC50) against estrogen receptor alpha ChEMBL. 14592514
IC50 (binding) = 9.57 nM Binding affinity for estrogen receptor alpha ChEMBL. 14592514
logP (ADMET) = 5.53 Partition coefficient (logP) ChEMBL. 14592514
pKa = 9.67 pKa value of the compound was determined ChEMBL. 14592514

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

1 literature reference was collected for this gene.

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