Detailed information for compound 1362381

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 251.323 | Formula: C17H17NO
  • H donors: 0 H acceptors: 2 LogP: 3.17 Rotable bonds: 1
    Rule of 5 violations (Lipinski): 1
  • SMILES: O=C1C=C(CC(C1)(C)C)c1ccc2c(c1)cccn2
  • InChi: 1S/C17H17NO/c1-17(2)10-14(9-15(19)11-17)12-5-6-16-13(8-12)4-3-7-18-16/h3-9H,10-11H2,1-2H3
  • InChiKey: YHIXYRKKIFKJOT-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

No synonyms found for this compound

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Mycobacterium tuberculosis Adenosylmethionine-8-amino-7-oxononanoate aminotransferase BioA Starlite/ChEMBL No references

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Mycobacterium tuberculosis Probable aminotransferase Get druggable targets OG5_128068 All targets in OG5_128068
Candida albicans adenosylmethionine-8-amino-7-oxononanoate aminotransferase similar to that found in bacteria Get druggable targets OG5_128068 All targets in OG5_128068
Mycobacterium ulcerans hypothetical protein Get druggable targets OG5_128068 All targets in OG5_128068
Trichomonas vaginalis acetylornithine aminotransferase, putative Get druggable targets OG5_128068 All targets in OG5_128068
Candida albicans adenosylmethionine-8-amino-7-oxononanoate aminotransferase similar to that found in bacteria Get druggable targets OG5_128068 All targets in OG5_128068
Mycobacterium ulcerans adenosylmethionine-8-amino-7-oxononanoate aminotransferase Get druggable targets OG5_128068 All targets in OG5_128068
Candida albicans second version of adenosylmethionine-8-amino-7-oxononanoate aminotransferase Get druggable targets OG5_128068 All targets in OG5_128068
Mycobacterium tuberculosis Adenosylmethionine-8-amino-7-oxononanoate aminotransferase BioA Get druggable targets OG5_128068 All targets in OG5_128068
Candida albicans second version of adenosylmethionine-8-amino-7-oxononanoate aminotransferase Get druggable targets OG5_128068 All targets in OG5_128068
Mycobacterium leprae PROBABLE ADENOSYLMETHIONINE-8-AMINO-7-OXONONANOATE AMINOTRANSFERASE BIOA Get druggable targets OG5_128068 All targets in OG5_128068
By sequence similarity to non orthologous known druggable targets
Species Potential target Known druggable target Length Alignment span Identity
Mycobacterium leprae Probable 4-aminobutyrate aminotransferase GabT (GAMMA-AMINO-N-BUTYRATE TRANSAMINASE) (GABA TRANSAMINASE) (GLUTAMATE:SUCCINIC SEM Adenosylmethionine-8-amino-7-oxononanoate aminotransferase BioA 437 aa 397 aa 28.5 %
Obtained from network model

Ranking Plot

Putative Targets List

Species Potential target Raw Global Species
Loa Loa (eye worm) hypothetical protein 0.001 0.0074 0.0075
Brugia malayi Nuclear hormone receptor-like 1 0.001 0.0074 0.0075
Echinococcus multilocularis cadherin EGF LAG seven pass G type receptor 0.0017 0.024 0.024
Loa Loa (eye worm) cytochrome P450 0.0026 0.0456 0.0586
Echinococcus multilocularis Nuclear hormone receptor family member nhr 41 0.001 0.0074 0.0074
Loa Loa (eye worm) MH2 domain-containing protein 0.0009 0.0038 0.0027
Entamoeba histolytica hypothetical protein 0.0037 0.0718 0.9077
Mycobacterium ulcerans adenosylmethionine-8-amino-7-oxononanoate aminotransferase 0.0184 0.4247 1
Schistosoma mansoni thyroid hormone receptor 0.001 0.0074 0.0074
Loa Loa (eye worm) nuclear hormone receptor family member nhr-41 0.001 0.0074 0.0075
Mycobacterium tuberculosis Probable ornithine aminotransferase (N-terminus part) RocD1 (ornithine--oxo-acid aminotransferase) 0.0026 0.0451 0.1026
Brugia malayi hypothetical protein 0.0028 0.049 0.0632
Mycobacterium tuberculosis Probable cytochrome P450 144 Cyp144 0.0026 0.0456 0.1037
Schistosoma mansoni cpg binding protein 0.0031 0.0578 0.0578
Echinococcus multilocularis CCR4 NOT transcription complex subunit 6 0.0008 0.0018 0.0018
Mycobacterium ulcerans cytochrome p450 150 cyp150 0.0026 0.0456 0.0012
Loa Loa (eye worm) hypothetical protein 0.0037 0.0726 0.0946
Echinococcus granulosus histone lysine N methyltransferase MLL3 0.0009 0.0044 0.0044
Schistosoma mansoni ap endonuclease 0.004 0.0789 0.0789
Loa Loa (eye worm) hypothetical protein 0.001 0.0074 0.0075
Echinococcus multilocularis thyroid hormone receptor alpha 0.001 0.0074 0.0074
Brugia malayi Nuclear hormone receptor family member nhr-40 0.001 0.0074 0.0075
Schistosoma mansoni hypothetical protein 0.0026 0.0456 0.0456
Brugia malayi Nuclear hormone receptor family member nhr-41 0.001 0.0074 0.0075
Leishmania major aldehyde dehydrogenase, mitochondrial precursor 0.0063 0.1333 1
Echinococcus granulosus smad 0.0009 0.0038 0.0038
Echinococcus multilocularis dnaJ subfamily B 0.0422 1 1
Trichomonas vaginalis ap endonuclease, putative 0.004 0.0789 0.1824
Schistosoma mansoni FTZ-F1 nuclear receptor-like protein 0.001 0.0074 0.0074
Echinococcus multilocularis DNA (apurinic or apyrimidinic site) lyase 0.004 0.0789 0.0789
Brugia malayi Inositol-1 0.0038 0.0742 0.0968
Mycobacterium tuberculosis Probable cytochrome P450 139 Cyp139 0.0026 0.0456 0.1037
Schistosoma mansoni smad 0.0009 0.0038 0.0038
Onchocerca volvulus Steroid hormone receptor family member cnr14 homolog 0.001 0.0074 0.1085
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0047 0.0961 0.0961
Loa Loa (eye worm) hypothetical protein 0.0019 0.0273 0.0341
Echinococcus granulosus FTZ F1 nuclear receptor protein 0.001 0.0074 0.0074
Brugia malayi Latrophilin receptor protein 2 0.0017 0.024 0.0298
Mycobacterium ulcerans cytochrome P450 125A7 Cyp125A7 0.0026 0.0456 0.0012
Brugia malayi Mitochondrial import inner membrane translocase subunit Tim17 family protein 0.0042 0.0831 0.1087
Leishmania major cytochrome p450-like protein 0.0045 0.0906 0.6754
Schistosoma mansoni hypothetical protein 0.0017 0.024 0.024
Brugia malayi hypothetical protein 0.0038 0.0733 0.0957
Echinococcus multilocularis muscleblind protein 1 0.0318 0.7498 0.7498
Mycobacterium ulcerans cytochrome P450 105Q4 Cyp105Q4 0.0026 0.0456 0.0012
Loa Loa (eye worm) hypothetical protein 0.0318 0.7498 1
Echinococcus granulosus neutral sphingomyelinase 0.0008 0.0018 0.0018
Echinococcus multilocularis FTZ F1 nuclear receptor protein 0.001 0.0074 0.0074
Plasmodium vivax ataxin-2 like protein, putative 0.0028 0.049 0.5813
Mycobacterium tuberculosis Probable cytochrome P450 monooxygenase 142 Cyp142 0.0026 0.0456 0.1037
Loa Loa (eye worm) pigment dispersing factor receptor c 0.0055 0.1144 0.1505
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0047 0.0961 0.0961
Plasmodium falciparum mitochondrial import inner membrane translocase subunit TIM23, putative 0.0042 0.0831 1
Brugia malayi calcium-independent alpha-latrotoxin receptor 2, putative 0.0017 0.024 0.0298
Brugia malayi hypothetical protein 0.0038 0.0733 0.0957
Mycobacterium tuberculosis Probable cytochrome P450 138 Cyp138 0.0026 0.0456 0.1037
Trypanosoma cruzi Lanosterol 14-alpha demethylase 0.0026 0.0456 0.4934
Loa Loa (eye worm) nuclear hormone receptor family member nhr-49 0.001 0.0074 0.0075
Mycobacterium tuberculosis Probable cytochrome P450 141 Cyp141 0.0026 0.0456 0.1037
Mycobacterium ulcerans cytochrome P450 187A4 Cyp187A4 0.0026 0.0456 0.0012
Plasmodium falciparum ataxin-2 like protein, putative 0.0028 0.049 0.5813
Echinococcus multilocularis Aminotransferase class III 0.0026 0.0451 0.0451
Echinococcus multilocularis TGF beta signal transducer SmadC 0.0009 0.0038 0.0038
Schistosoma mansoni thyroid hormone receptor 0.001 0.0074 0.0074
Leishmania major cytochrome p450-like protein 0.0026 0.0456 0.3332
Mycobacterium tuberculosis Probable cytochrome P450 132 Cyp132 0.0026 0.0456 0.1037
Mycobacterium ulcerans cytochrome P450 140A5 Cyp140A5 0.0026 0.0456 0.0012
Echinococcus granulosus traf and tnf receptor associated protein 0.0008 0.0018 0.0018
Mycobacterium ulcerans cytochrome P450 136A2 Cyp136A2 0.0026 0.0456 0.0012
Toxoplasma gondii aldehyde dehydrogenase 0.0063 0.1333 1
Brugia malayi nuclear hormone receptor 0.001 0.0074 0.0075
Brugia malayi nuclear receptor NHR-88 0.001 0.0074 0.0075
Trypanosoma cruzi myo-inositol-1(or 4)-monophosphatase 1, putative 0.0038 0.0742 0.8146
Brugia malayi GTP-binding regulatory protein Gs alpha-S chain, putative 0.0047 0.0961 0.1261
Echinococcus multilocularis nuclear receptor 2DBD gamma 0.001 0.0074 0.0074
Mycobacterium tuberculosis Inositol-1-monophosphatase SuhB 0.0034 0.0645 0.1484
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0047 0.0961 0.0961
Toxoplasma gondii cytochrome p450 superfamily protein 0.0026 0.0456 0.3332
Wolbachia endosymbiont of Brugia malayi fructose-1,6-bisphosphatase 0.0038 0.0742 0.8598
Trypanosoma cruzi PAB1-binding protein , putative 0.0028 0.049 0.5321
Brugia malayi 4-aminobutyrate aminotransferase, mitochondrial precursor 0.0026 0.0451 0.058
Loa Loa (eye worm) nuclear hormone receptor family member nhr-31 0.001 0.0074 0.0075
Echinococcus granulosus Ataxin 2 N terminaldomain containing protein 0.0012 0.0122 0.0122
Brugia malayi Cytochrome P450 family protein 0.0045 0.0906 0.1188
Brugia malayi Smad1 0.0009 0.0038 0.0027
Treponema pallidum exodeoxyribonuclease (exoA) 0.004 0.0789 1
Mycobacterium tuberculosis Possible cytochrome P450 126 Cyp126 0.0026 0.0456 0.1037
Mycobacterium tuberculosis Probable aldehyde dehydrogenase 0.0063 0.1333 0.3111
Echinococcus multilocularis ornithine aminotransferase 0.0026 0.0451 0.0451
Plasmodium falciparum ataxin-2 like protein, putative 0.0028 0.049 0.5813
Trichomonas vaginalis inositol monophosphatase, putative 0.0038 0.0742 0.1712
Brugia malayi steroid hormone receptor 0.001 0.0074 0.0075
Loa Loa (eye worm) nuclear hormone receptor family member nhr-40 0.001 0.0074 0.0075
Brugia malayi Nuclear hormone receptor family member nhr-1 0.001 0.0074 0.0075
Schistosoma mansoni steroid hormone receptor ad4bp 0.001 0.0074 0.0074
Loa Loa (eye worm) nuclear hormone receptor family member nhr-1 0.001 0.0074 0.0075
Brugia malayi Nuclear hormone receptor family member nhr-25 0.001 0.0074 0.0075
Mycobacterium tuberculosis Probable cytochrome P450 124 Cyp124 0.0026 0.0456 0.1037
Echinococcus multilocularis 0.0026 0.0456 0.0456
Brugia malayi Steroid receptor seven-up type 2 0.001 0.0074 0.0075
Trypanosoma cruzi apurinic/apyrimidinic endonuclease, putative 0.004 0.0789 0.8679
Trichomonas vaginalis myo inositol monophosphatase, putative 0.0038 0.0742 0.1712
Echinococcus multilocularis Smad4 0.0009 0.0038 0.0038
Trichomonas vaginalis ap endonuclease, putative 0.004 0.0789 0.1824
Schistosoma mansoni cpg binding protein 0.0031 0.0578 0.0578
Mycobacterium ulcerans cytochrome P450 108B4 Cyp108B4 0.0026 0.0456 0.0012
Schistosoma mansoni inositol monophosphatase 0.0038 0.0742 0.0742
Trypanosoma cruzi cytochrome P450, putative 0.0045 0.0906 1
Loa Loa (eye worm) steroid hormone receptor 0.001 0.0074 0.0075
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0047 0.0961 0.0961
Echinococcus multilocularis inositol polyphosphate 5 phosphatase OCRL 1 0.0008 0.0018 0.0018
Schistosoma mansoni smad1 5 8 and 0.0009 0.0038 0.0038
Echinococcus granulosus hepatocyte nuclear factor 4 alpha 0.001 0.0074 0.0074
Schistosoma mansoni retinoic acid receptor RXR 0.001 0.0074 0.0074
Brugia malayi CXXC zinc finger family protein 0.003 0.0537 0.0694
Schistosoma mansoni smad1 5 8 and 0.0009 0.0038 0.0038
Schistosoma mansoni TGF-beta signal transducer Smad2 0.0009 0.0038 0.0038
Schistosoma mansoni hypothetical protein 0.0175 0.4039 0.4039
Echinococcus granulosus aldehyde dehydrogenase mitochondrial 0.0063 0.1333 0.1333
Brugia malayi Nuclear hormone receptor family member nhr-19 0.001 0.0074 0.0075
Brugia malayi Nuclear hormone receptor family member nhr-31 0.001 0.0074 0.0075
Trypanosoma brucei apurinic/apyrimidinic endonuclease, putative 0.004 0.0789 0.8679
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0047 0.0961 0.0961
Echinococcus granulosus GPCR family 2 0.0017 0.024 0.024
Brugia malayi photoreceptor-specific nuclear receptor 0.001 0.0074 0.0075
Echinococcus granulosus endonuclease exonuclease phosphatase 0.0008 0.0018 0.0018
Loa Loa (eye worm) CXXC zinc finger family protein 0.003 0.0537 0.0694
Loa Loa (eye worm) hypothetical protein 0.001 0.0074 0.0075
Mycobacterium ulcerans cytochrome P450 191A3 Cyp191A3 0.0026 0.0456 0.0012
Echinococcus granulosus mothers against decapentaplegic 5 0.0009 0.0038 0.0038
Echinococcus multilocularis cpg binding protein 0.0031 0.0578 0.0578
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0047 0.0961 0.0961
Mycobacterium ulcerans cytochrome P450 143A4 Cyp143A4 0.0026 0.0456 0.0012
Mycobacterium tuberculosis Probable cytochrome P450 128 Cyp128 0.0026 0.0456 0.1037
Brugia malayi Mitochondrial import inner membrane translocase subunit Tim17 family protein 0.0042 0.0831 0.1087
Echinococcus multilocularis diuretic hormone 44 receptor GPRdih2 0.0017 0.024 0.024
Onchocerca volvulus Protein ultraspiracle homolog 0.001 0.0074 0.1085
Mycobacterium tuberculosis Probable cytochrome P450 140 Cyp140 0.0026 0.0456 0.1037
Schistosoma mansoni transcription factor LCR-F1 0.0037 0.0718 0.0718
Loa Loa (eye worm) cytochrome P450 family protein 0.0045 0.0906 0.1188
Schistosoma mansoni hypothetical protein 0.0175 0.4039 0.4039
Schistosoma mansoni cpg binding protein 0.003 0.0537 0.0537
Echinococcus multilocularis mitochondrial import inner membrane translocase subunit TIM23, putative 0.0042 0.0831 0.0831
Entamoeba histolytica hypothetical protein 0.0037 0.0718 0.9077
Brugia malayi Cytochrome P450 family protein 0.0026 0.0456 0.0586
Echinococcus granulosus Nuclear hormone receptor family member nhr 41 0.001 0.0074 0.0074
Mycobacterium ulcerans aldehyde dehydrogenase 0.0063 0.1333 0.2324
Echinococcus granulosus cytochrome P450 2K1 0.0026 0.0456 0.0456
Echinococcus multilocularis mothers against decapentaplegic 5 0.0009 0.0038 0.0038
Trypanosoma brucei PAB1-binding protein , putative 0.0028 0.049 0.5321
Echinococcus granulosus nuclear receptor 2DBD gamma 0.001 0.0074 0.0074
Brugia malayi Ligand-binding domain of nuclear hormone receptor family protein 0.001 0.0074 0.0075
Mycobacterium tuberculosis Probable L-lysine-epsilon aminotransferase Lat (L-lysine aminotransferase) (lysine 6-aminotransferase) 0.0026 0.0451 0.1026
Echinococcus multilocularis inositol monophosphatase 1 0.0038 0.0742 0.0742
Brugia malayi hypothetical protein 0.0018 0.0254 0.0316
Mycobacterium tuberculosis Cytochrome P450 51 Cyp51 (CYPL1) (P450-L1A1) (sterol 14-alpha demethylase) (lanosterol 14-alpha demethylase) (P450-14DM) 0.0026 0.0456 0.1037
Mycobacterium tuberculosis Probable exodeoxyribonuclease III protein XthA (exonuclease III) (EXO III) (AP endonuclease VI) 0.004 0.0789 0.1824
Brugia malayi Ligand-binding domain of nuclear hormone receptor family protein 0.001 0.0074 0.0075
Brugia malayi Nuclear hormone receptor family member nhr-19 0.001 0.0074 0.0075
Trypanosoma brucei Lanosterol 14-alpha demethylase 0.0026 0.0456 0.4934
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.0055 0.1144 0.1505
Loa Loa (eye worm) nuclear Hormone Receptor family member 0.001 0.0074 0.0075
Mycobacterium ulcerans cytochrome P450 144A4 Cyp144A4 0.0026 0.0456 0.0012
Mycobacterium ulcerans cytochrome P450 187A5 Cyp187A5 0.0026 0.0456 0.0012
Mycobacterium leprae PROBABLE ADENOSYLMETHIONINE-8-AMINO-7-OXONONANOATE AMINOTRANSFERASE BIOA 0.0184 0.4247 1
Schistosoma mansoni aldehyde dehydrogenase 0.0063 0.1333 0.1333
Loa Loa (eye worm) Smad1 0.0009 0.0038 0.0027
Echinococcus multilocularis FTZ F1 alpha 0.001 0.0074 0.0074
Mycobacterium ulcerans cytochrome P450 51B1 Cyp51B1 0.0026 0.0456 0.0012
Plasmodium falciparum ornithine aminotransferase 0.0026 0.0451 0.5334
Trypanosoma cruzi myo-inositol-1(or 4)-monophosphatase 1, putative 0.0038 0.0742 0.8146
Brugia malayi STAT protein, DNA binding domain containing protein 0.0163 0.375 0.4989
Echinococcus multilocularis endonuclease exonuclease phosphatase 0.0008 0.0018 0.0018
Loa Loa (eye worm) CYP4Cod1 0.0045 0.0906 0.1188
Echinococcus granulosus inositol polyphosphate 5 phosphatase OCRL 1 0.0008 0.0018 0.0018
Trypanosoma cruzi cytochrome P450, putative 0.0045 0.0906 1
Schistosoma mansoni retinoid-x-receptor (RXR) 0.001 0.0074 0.0074
Entamoeba histolytica myo-inositol monophosphatase, putative 0.0038 0.0742 0.9387
Brugia malayi Cytochrome P450 family protein 0.0087 0.1911 0.2531
Mycobacterium tuberculosis Probable cytochrome P450 143 Cyp143 0.0026 0.0456 0.1037
Toxoplasma gondii exonuclease III APE 0.004 0.0789 0.5862
Schistosoma mansoni hypothetical protein 0.0017 0.024 0.024
Echinococcus granulosus ecdysone induced protein 78C 0.001 0.0074 0.0074
Mycobacterium ulcerans cytochrome P450 189A7 Cyp189A7 0.0026 0.0456 0.0012
Loa Loa (eye worm) hypothetical protein 0.001 0.0074 0.0075
Giardia lamblia Endonuclease/Exonuclease/phosphatase 0.004 0.0789 1
Trypanosoma cruzi Lanosterol 14-alpha demethylase 0.0026 0.0456 0.4934
Schistosoma mansoni nuclear receptor 2DBD-gamma 0.001 0.0074 0.0074
Loa Loa (eye worm) GTP-binding regulatory protein Gs alpha-S chain 0.0047 0.0961 0.1261
Mycobacterium ulcerans aldehyde dehydrogenase 0.0063 0.1333 0.2324
Schistosoma mansoni nocturnin 0.0008 0.0018 0.0018
Schistosoma mansoni hypothetical protein 0.0037 0.0718 0.0718
Schistosoma mansoni aldehyde dehydrogenase 0.0063 0.1333 0.1333
Schistosoma mansoni carbon catabolite repressor protein 0.0008 0.0018 0.0018
Schistosoma mansoni RAR-like nuclear receptor 0.001 0.0074 0.0074
Echinococcus multilocularis ecdysone induced protein 78C 0.001 0.0074 0.0074
Brugia malayi Mitochondrial import inner membrane translocase subunit Tim17 family protein 0.0042 0.0831 0.1087
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0047 0.0961 0.0961
Schistosoma mansoni ornithine--oxo-acid transaminase 0.0026 0.0451 0.0451
Schistosoma mansoni hypothetical protein 0.0008 0.0018 0.0018
Mycobacterium tuberculosis Probable cytochrome P450 125 Cyp125 0.0026 0.0456 0.1037
Plasmodium vivax AP endonuclease (DNA-[apurinic or apyrimidinic site] lyase), putative 0.004 0.0789 0.9481
Brugia malayi latrophilin 2 splice variant baaae 0.0037 0.0726 0.0946
Loa Loa (eye worm) cytochrome P450 family protein 0.0045 0.0906 0.1188
Mycobacterium tuberculosis Probable cytochrome P450 137 Cyp137 0.0026 0.0456 0.1037
Leishmania major hypothetical protein, conserved 0.0028 0.049 0.3594
Toxoplasma gondii ornithine aminotransferase, mitochondrial precursor, putative 0.0026 0.0451 0.3298
Echinococcus multilocularis Ataxin 2, N terminal,domain containing protein 0.0012 0.0122 0.0122
Echinococcus multilocularis nuclear receptor 2DBD gamma 0.001 0.0074 0.0074
Mycobacterium tuberculosis Probable cytochrome P450 123 Cyp123 0.0026 0.0456 0.1037
Loa Loa (eye worm) hypothetical protein 0.0318 0.7498 1
Brugia malayi Nuclear hormone receptor family member nhr-25 0.001 0.0074 0.0075
Mycobacterium ulcerans extragenic suppressor protein SuhB 0.0038 0.0742 0.0764
Mycobacterium ulcerans cytochrome P450 150A6 Cyp150A6 0.0026 0.0456 0.0012
Brugia malayi hypothetical protein 0.0037 0.0718 0.0936
Trichomonas vaginalis acetylornithine aminotransferase, putative 0.0184 0.4247 1
Leishmania major lanosterol 14-alpha-demethylase, putative 0.0026 0.0456 0.3332
Loa Loa (eye worm) histone methyltransferase 0.0009 0.0044 0.0035
Onchocerca volvulus 0.003 0.0537 1
Schistosoma mansoni ap endonuclease 0.004 0.0789 0.0789
Echinococcus multilocularis ornithine aminotransferase 0.0026 0.0451 0.0451
Brugia malayi MH1 domain containing protein 0.0009 0.0038 0.0027
Schistosoma mansoni hypothetical protein 0.0042 0.0831 0.0831
Loa Loa (eye worm) hypothetical protein 0.001 0.0074 0.0075
Brugia malayi Muscleblind-like protein 0.0318 0.7498 1
Echinococcus granulosus DNA apurinic or apyrimidinic site lyase 0.004 0.0789 0.0789
Entamoeba histolytica exodeoxyribonuclease III, putative 0.004 0.0789 1
Loa Loa (eye worm) exodeoxyribonuclease III family protein 0.004 0.0789 0.1031
Echinococcus granulosus inositol monophosphatase 1 0.0038 0.0742 0.0742
Echinococcus granulosus CCR4 NOT transcription complex subunit 6 0.0008 0.0018 0.0018
Schistosoma mansoni hypothetical protein 0.0422 1 1
Schistosoma mansoni synaptojanin 0.0008 0.0018 0.0018
Schistosoma mansoni photoreceptor-specific nuclear receptor related 0.001 0.0074 0.0074
Echinococcus granulosus ornithine aminotransferase 0.0026 0.0451 0.0451
Mycobacterium ulcerans cytochrome P450 142A3 Cyp142A3 0.0026 0.0456 0.0012
Trypanosoma brucei inositol-1(or 4)-monophosphatase 1, putative 0.0038 0.0742 0.8146
Schistosoma mansoni nuclear hormone receptor nor-1/nor-2 0.001 0.0074 0.0074
Echinococcus granulosus Smad4 0.0009 0.0038 0.0038
Schistosoma mansoni synaptojanin 0.0008 0.0018 0.0018
Mycobacterium ulcerans aldehyde dehydrogenase 0.0063 0.1333 0.2324
Echinococcus granulosus Aminotransferase class III 0.0026 0.0451 0.0451
Mycobacterium leprae putative cytochrome p450 0.0026 0.0456 0.0012
Echinococcus multilocularis muscleblind protein 0.0318 0.7498 0.7498
Schistosoma mansoni hypothetical protein 0.0017 0.024 0.024
Brugia malayi ecdysteroid receptor 0.001 0.0074 0.0075
Echinococcus granulosus nuclear receptor 2DBD gamma 0.001 0.0074 0.0074
Mycobacterium ulcerans exodeoxyribonuclease III protein XthA 0.004 0.0789 0.0889
Mycobacterium tuberculosis Probable aminotransferase 0.0184 0.4247 1
Mycobacterium ulcerans cytochrome P450 185A4 Cyp185A4 0.0045 0.0906 0.1198
Schistosoma mansoni mixed-lineage leukemia protein mll 0.0063 0.1338 0.1338
Brugia malayi MH2 domain containing protein 0.0009 0.0038 0.0027
Echinococcus multilocularis COUP TF:Svp nuclear hormone receptor 0.001 0.0074 0.0074
Brugia malayi MH2 domain containing protein 0.0131 0.2986 0.3969
Trypanosoma cruzi apurinic/apyrimidinic endonuclease 0.004 0.0789 0.8679
Mycobacterium ulcerans cytochrome P450 188A3 Cyp188A3 0.0026 0.0456 0.0012
Echinococcus multilocularis histone lysine N methyltransferase MLL3 0.0009 0.0044 0.0044
Onchocerca volvulus 0.001 0.0074 0.1085
Echinococcus multilocularis deoxyribonuclease 1 2 0.0008 0.0018 0.0018
Schistosoma mansoni neutral sphingomyelinase 0.0008 0.0018 0.0018
Schistosoma mansoni nuclear hormone receptor 0.001 0.0074 0.0074
Loa Loa (eye worm) hypothetical protein 0.001 0.0074 0.0075
Brugia malayi Calcitonin receptor-like protein seb-1 0.0055 0.1144 0.1505
Echinococcus multilocularis traf and tnf receptor associated protein 0.0008 0.0018 0.0018
Echinococcus multilocularis smad 0.0009 0.0038 0.0038
Echinococcus multilocularis Basic leucine zipper (bZIP) transcription 0.0037 0.0718 0.0718
Schistosoma mansoni hypothetical protein 0.0017 0.024 0.024
Trichomonas vaginalis myo inositol monophosphatase, putative 0.0038 0.0742 0.1712
Brugia malayi F/Y-rich N-terminus family protein 0.0009 0.0041 0.0031
Mycobacterium tuberculosis Possible cytochrome P450 135B1 Cyp135B1 0.0026 0.0456 0.1037
Loa Loa (eye worm) hypothetical protein 0.001 0.0074 0.0075
Mycobacterium tuberculosis Probable glutamate-1-semialdehyde 2,1-aminomutase HemL (GSA) (glutamate-1-semialdehyde aminotransferase) (GSA-at) 0.0026 0.0451 0.1026
Schistosoma mansoni smad1 5 8 and 0.0009 0.0038 0.0038
Mycobacterium ulcerans cytochrome P450 126A3 Cyp126A3 0.0026 0.0456 0.0012
Mycobacterium tuberculosis Possible cytochrome P450 135A1 Cyp135A1 0.0026 0.0456 0.1037
Brugia malayi cytochrome P450 0.0026 0.0456 0.0586
Echinococcus granulosus Basic leucine zipper bZIP transcription 0.0037 0.0718 0.0718
Mycobacterium ulcerans hypothetical protein 0.0184 0.4247 1
Mycobacterium tuberculosis Cytochrome P450 121 Cyp121 0.0026 0.0456 0.1037
Schistosoma mansoni hypothetical protein 0.0037 0.0726 0.0726
Loa Loa (eye worm) inositol-1 0.0038 0.0742 0.0968
Echinococcus granulosus retinoic acid receptor rxr beta a 0.001 0.0074 0.0074
Leishmania major myo-inositol-1(or 4)-monophosphatase 1, putative 0.0038 0.0742 0.5502
Entamoeba histolytica hypothetical protein 0.0037 0.0718 0.9077
Mycobacterium ulcerans cytochrome P450 124A1, Cyp124A1 0.0026 0.0456 0.0012
Mycobacterium tuberculosis Probable cytochrome P450 130 Cyp130 0.0026 0.0456 0.1037
Echinococcus granulosus geminin 0.0175 0.4039 0.4039
Brugia malayi Nuclear hormone receptor family member nhr-49 0.001 0.0074 0.0075
Mycobacterium leprae Conserved hypothetical protein 0.0026 0.0456 0.0012
Toxoplasma gondii inositol(myo)-1(or 4)-monophosphatase 2, putative 0.0038 0.0742 0.5502
Schistosoma mansoni inositol monophosphatase 0.0038 0.0742 0.0742
Brugia malayi exodeoxyribonuclease III family protein 0.004 0.0789 0.1031
Loa Loa (eye worm) MH2 domain-containing protein 0.0131 0.2986 0.3969
Echinococcus granulosus COUP TF:Svp nuclear hormone receptor 0.001 0.0074 0.0074
Loa Loa (eye worm) MH1 domain-containing protein 0.0009 0.0038 0.0027
Echinococcus multilocularis aldehyde dehydrogenase, mitochondrial 0.0063 0.1333 0.1333
Loa Loa (eye worm) nuclear hormone receptor family member nhr-14 0.001 0.0074 0.0075
Loa Loa (eye worm) hypothetical protein 0.0028 0.049 0.0632
Loa Loa (eye worm) STAT protein 0.0163 0.375 0.4989
Echinococcus granulosus TGF beta signal transducer SmadC 0.0009 0.0038 0.0038
Brugia malayi Nuclear hormone receptor family member nhr-3 0.001 0.0074 0.0075
Schistosoma mansoni Smad4 0.0009 0.0038 0.0038
Schistosoma mansoni cytochrome P450 0.0026 0.0456 0.0456
Toxoplasma gondii LsmAD domain-containing protein 0.0028 0.049 0.3594
Brugia malayi Nuclear hormone receptor family member nhr-14 0.001 0.0074 0.0075
Plasmodium vivax mitochondrial import inner membrane translocase subunit TIM23, putative 0.0042 0.0831 1
Mycobacterium tuberculosis Probable cytochrome P450 136 Cyp136 0.0026 0.0456 0.1037
Echinococcus granulosus synaptojanin 1 0.0008 0.0018 0.0018
Echinococcus multilocularis hepatocyte nuclear factor 4 alpha 0.001 0.0074 0.0074
Brugia malayi MH1 domain containing protein 0.0009 0.0038 0.0027
Schistosoma mansoni ocrl type II inositol 5-phosphatase 0.0008 0.0018 0.0018
Echinococcus granulosus diuretic hormone 44 receptor GPRdih2 0.0017 0.024 0.024
Schistosoma mansoni hypothetical protein 0.0012 0.0122 0.0122
Schistosoma mansoni coup transcription factor 0.001 0.0074 0.0074
Loa Loa (eye worm) cytochrome P450 family protein 0.0087 0.1911 0.2531
Wolbachia endosymbiont of Brugia malayi exonuclease III 0.004 0.0789 1
Mycobacterium tuberculosis Probable acetylornithine aminotransferase ArgD 0.0026 0.0451 0.1026
Mycobacterium ulcerans cytochrome P450 123A3 Cyp123A3 0.0026 0.0456 0.0012
Loa Loa (eye worm) latrophilin receptor protein 2 0.0017 0.024 0.0298
Mycobacterium ulcerans cytochrome P450 143A3 Cyp143A3 0.0026 0.0456 0.0012
Echinococcus multilocularis neutral sphingomyelinase 0.0008 0.0018 0.0018
Loa Loa (eye worm) hypothetical protein 0.0042 0.0831 0.1087
Echinococcus granulosus cadherin EGF LAG seven pass G type receptor 0.0017 0.024 0.024
Brugia malayi MH2 domain containing protein 0.0009 0.0038 0.0027
Schistosoma mansoni cript-related 0.0008 0.0018 0.0018
Echinococcus multilocularis GPCR, family 2 0.0017 0.024 0.024
Toxoplasma gondii histone lysine methyltransferase SET1 0.0056 0.1176 0.8807
Brugia malayi Cytochrome P450 family protein 0.0045 0.0906 0.1188
Leishmania major cytochrome p450-like protein 0.0026 0.0456 0.3332
Plasmodium vivax ornithine aminotransferase, putative 0.0026 0.0451 0.5334
Chlamydia trachomatis glutamate-1-semialdehyde-2,1-aminomutase 0.0026 0.0451 0.5
Echinococcus multilocularis geminin 0.0175 0.4039 0.4039
Trypanosoma brucei cytochrome P450, putative 0.0045 0.0906 1
Schistosoma mansoni Tr4/Tr2 (homologue) 0.001 0.0074 0.0074
Loa Loa (eye worm) hypothetical protein 0.0017 0.024 0.0298
Echinococcus granulosus muscleblind protein 0.0318 0.7498 0.7498
Onchocerca volvulus Bile acid receptor homolog 0.001 0.0074 0.1085
Plasmodium falciparum AP endonuclease (DNA-[apurinic or apyrimidinic site] lyase), putative 0.004 0.0789 0.9481
Trypanosoma cruzi PAB1-binding protein , putative 0.0028 0.049 0.5321
Echinococcus granulosus FTZ F1 alpha 0.001 0.0074 0.0074
Leishmania major apurinic/apyrimidinic endonuclease-redox protein 0.004 0.0789 0.5862
Mycobacterium tuberculosis Adenosylmethionine-8-amino-7-oxononanoate aminotransferase BioA 0.0184 0.4247 1
Loa Loa (eye worm) hypothetical protein 0.0055 0.1144 0.1505
Toxoplasma gondii mitochondrial inner membrane translocase subunit TIM17, putative 0.0042 0.0831 0.6182
Loa Loa (eye worm) transcription factor SMAD2 0.0131 0.2986 0.3969
Loa Loa (eye worm) hypothetical protein 0.001 0.0074 0.0075
Echinococcus granulosus cpg binding protein 0.0031 0.0578 0.0578
Trypanosoma cruzi cytochrome p450-like protein, putative 0.0026 0.0456 0.4934
Echinococcus multilocularis synaptojanin 1 0.0008 0.0018 0.0018
Entamoeba histolytica hypothetical protein 0.0037 0.0718 0.9077
Mycobacterium leprae possible inositol monophosphatase SubH (IMPase) (inositol-1-phosphatase) (I-1-Pase ). 0.0034 0.0645 0.0511

Activities

Activity type Activity value Assay description Source Reference
AC50 (functional) 4.74 uM PubChem BioAssay. Mycobacterium tuberculosis BioA enzyme inhibitor Measured in Biochemical System Using Plate Reader - 2163-02_Inhibitor_Dose_CherryPick_Activity. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 18.526 uM PUBCHEM_BIOASSAY: Primary qHTS for delayed death inhibitors of the malarial parasite plastid, 48 hour incubation. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID488752, AID488774, AID504848, AID504850] ChEMBL. No reference
Potency (functional) 50.1187 uM PubChem BioAssay. qHTS for Agonist of gsp, the Etiologic Mutation Responsible for Fibrous Dysplasia/McCune-Albright Syndrome: qHTS. (Class of assay: confirmatory) ChEMBL. No reference

Phenotypes

Whole-cell/tissue/organism interactions

Species name Source Reference Is orphan
Plasmodium falciparum ChEMBL23

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

No literature references available for this target.

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