Detailed information for compound 1440651

Basic information

Technical information
  • TDR Targets ID: 1440651
  • Name: 2-(2-propan-2-ylsulfanylbenzimidazol-1-yl)ace tic acid
  • MW: 250.317 | Formula: C12H14N2O2S
  • H donors: 1 H acceptors: 3 LogP: 2.78 Rotable bonds: 4
    Rule of 5 violations (Lipinski): 1
  • SMILES: OC(=O)Cn1c(SC(C)C)nc2c1cccc2
  • InChi: 1S/C12H14N2O2S/c1-8(2)17-12-13-9-5-3-4-6-10(9)14(12)7-11(15)16/h3-6,8H,7H2,1-2H3,(H,15,16)
  • InChiKey: XQRVKCLCVBIXGE-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

  • 2-(2-isopropylsulfanylbenzimidazol-1-yl)acetic acid
  • 2-[2-(isopropylthio)-1-benzimidazolyl]acetic acid
  • 2-[2-(isopropylthio)benzimidazol-1-yl]acetic acid
  • 2-(2-propan-2-ylsulfanylbenzimidazol-1-yl)ethanoic acid
  • SMR000273320
  • Oprea1_034289
  • IFLab1_001141
  • SBB007440
  • (2-Isopropylsulfanyl-benzoimidazol-1-yl)-acetic acid
  • BAS 00385257
  • IDI1_009008
  • Oprea1_261166
  • MLS000713839

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Homo sapiens glutaminase Starlite/ChEMBL No references
Homo sapiens lysine (K)-specific methyltransferase 2A Starlite/ChEMBL No references
Homo sapiens multiple endocrine neoplasia I No references
Influenza A virus Nonstructural protein 1 Starlite/ChEMBL No references
Homo sapiens euchromatic histone-lysine N-methyltransferase 2 Starlite/ChEMBL No references

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Toxoplasma gondii histone lysine methyltransferase SET1 Get druggable targets OG5_130642 All targets in OG5_130642
Trichomonas vaginalis glutaminase, putative Get druggable targets OG5_129245 All targets in OG5_129245
Schistosoma mansoni hypothetical protein Get druggable targets OG5_133913 All targets in OG5_133913
Onchocerca volvulus Get druggable targets OG5_131470 All targets in OG5_131470
Neospora caninum Multidomain chromatinic protein with the following architecture: 3x PHD-bromo-3xPHD-SET domain and associated cysteine cluster a Get druggable targets OG5_130642 All targets in OG5_130642
Schistosoma mansoni glutaminase Get druggable targets OG5_129245 All targets in OG5_129245
Loa Loa (eye worm) glutaminase Get druggable targets OG5_129245 All targets in OG5_129245
Echinococcus multilocularis dnaJ subfamily B Get druggable targets OG5_133913 All targets in OG5_133913
Mycobacterium ulcerans glutaminase Get druggable targets OG5_129245 All targets in OG5_129245
Brugia malayi glutaminase DH11.1 Get druggable targets OG5_129245 All targets in OG5_129245
Echinococcus granulosus dnaJ subfamily B Get druggable targets OG5_133913 All targets in OG5_133913
Brugia malayi Pre-SET motif family protein Get druggable targets OG5_131470 All targets in OG5_131470
Schistosoma japonicum ko:K09188 myeloid/lymphoid or mixed-lineage leukemia protein 3, putative Get druggable targets OG5_130642 All targets in OG5_130642
Schistosoma japonicum Menin, putative Get druggable targets OG5_133913 All targets in OG5_133913
Schistosoma mansoni mixed-lineage leukemia protein mll Get druggable targets OG5_130642 All targets in OG5_130642
Loa Loa (eye worm) pre-SET domain-containing protein family protein Get druggable targets OG5_131470 All targets in OG5_131470
Trichomonas vaginalis set domain proteins, putative Get druggable targets OG5_131470 All targets in OG5_131470
Loa Loa (eye worm) glutaminase 2 Get druggable targets OG5_129245 All targets in OG5_129245
By sequence similarity to non orthologous known druggable targets
Species Potential target Known druggable target Length Alignment span Identity
Mycobacterium tuberculosis Hypothetical protein Nonstructural protein 1   230 aa 202 aa 23.8 %
Obtained from network model

Ranking Plot

Putative Targets List

Species Potential target Raw Global Species
Echinococcus granulosus importin subunit beta 1 0.0034 0.0155 0.0559
Echinococcus granulosus cytoplasmic intermediate filament protein 0.0015 0.005 0.0181
Onchocerca volvulus 0.0031 0.0143 0.0837
Plasmodium falciparum acetyl-CoA synthetase, putative 0.0008 0.001 0.0645
Echinococcus granulosus 5'partial|histone lysine N methyltransferase SETDB2 0.0035 0.0162 0.0582
Trichomonas vaginalis ran, putative 0.0025 0.0105 0.0568
Loa Loa (eye worm) glutaminase 0.033 0.1841 0.1841
Loa Loa (eye worm) hypothetical protein 0.0021 0.0082 0.0081
Loa Loa (eye worm) AMP-binding enzyme family protein 0.0008 0.001 0.001
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0053 0.0267 0.0963
Plasmodium vivax acetyl-CoA synthetase, putative 0.0008 0.001 0.0577
Trichomonas vaginalis antibiotic synthetase, putative 0.0008 0.001 0.0054
Trypanosoma cruzi importin beta-1 subunit, putative 0.0027 0.0119 1
Mycobacterium ulcerans long-chain fatty-acid CoA ligase 0.0028 0.0121 0.0606
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0037 0.0173 0.0626
Mycobacterium tuberculosis Possible fatty-acid-CoA ligase FadD1 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase) 0.0008 0.001 0.0546
Loa Loa (eye worm) oxidoreductase 0.0008 0.001 0.001
Mycobacterium tuberculosis Fatty-acid-AMP ligase FadD30 (fatty-acid-AMP synthetase) (fatty-acid-AMP synthase) 0.0021 0.0082 0.6617
Loa Loa (eye worm) hypothetical protein 0.0021 0.0082 0.0081
Echinococcus multilocularis lamin 0.0031 0.0143 0.0514
Loa Loa (eye worm) hypothetical protein 0.0031 0.014 0.0139
Trichomonas vaginalis chromodomain helicase DNA binding protein, putative 0.0008 0.0009 0.0046
Mycobacterium tuberculosis Probable fatty-acid-CoA ligase FadD3 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase) 0.002 0.0075 0.6071
Mycobacterium tuberculosis Probable fatty-acid-CoA ligase FadD2 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase) 0.0028 0.0121 1
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0037 0.0173 0.0626
Onchocerca volvulus 0.0031 0.0143 0.0837
Toxoplasma gondii propionate-CoA ligase 0.0008 0.001 0.001
Mycobacterium tuberculosis Probable fatty-acid-CoA ligase FadD35 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase) 0.002 0.0075 0.6071
Echinococcus multilocularis acetyl coenzyme A synthetase, cytoplasmic 0.0008 0.001 0.0036
Mycobacterium ulcerans acyl-CoA synthetase 0.0028 0.0121 0.0606
Echinococcus multilocularis cytoplasmic intermediate filament protein 0.0015 0.005 0.0181
Loa Loa (eye worm) intermediate filament protein 0.0031 0.0143 0.0143
Brugia malayi AMP-binding enzyme family protein 0.0028 0.0121 0.0657
Trichomonas vaginalis conserved hypothetical protein 0.0008 0.0009 0.0046
Brugia malayi AMP-binding enzyme family protein 0.0028 0.0121 0.0657
Schistosoma mansoni hypothetical protein 0.0494 0.2773 1
Trichomonas vaginalis glutaminase, putative 0.033 0.1841 1
Leishmania major acetyl-CoA synthetase, putative 0.0008 0.001 0.0826
Mycobacterium leprae PROBABLE FATTY-ACID-CoA LIGASE FADD7 (FATTY-ACID-CoA SYNTHETASE) (FATTY-ACID-CoA SYNTHASE) 0.0028 0.0121 1
Trichomonas vaginalis chromodomain helicase DNA binding protein, putative 0.0008 0.0009 0.0046
Onchocerca volvulus 0.0035 0.0161 0.0953
Loa Loa (eye worm) hypothetical protein 0.0015 0.0047 0.0047
Plasmodium falciparum acyl-CoA synthetase 0.0021 0.0082 0.5244
Trichomonas vaginalis importin beta-1, putative 0.0027 0.0119 0.0646
Brugia malayi F/Y-rich N-terminus family protein 0.0012 0.0032 0.0172
Loa Loa (eye worm) GTP-binding regulatory protein Gs alpha-S chain 0.0053 0.0267 0.0267
Mycobacterium ulcerans acyl-CoA synthetase 0.0028 0.0121 0.0606
Leishmania major acetyl-CoA synthetase, putative 0.0008 0.001 0.0826
Echinococcus multilocularis musashi 0.0031 0.0143 0.0514
Brugia malayi CXXC zinc finger family protein 0.0035 0.0161 0.0875
Leishmania major long-chain-fatty-acid-CoA ligase, putative 0.0008 0.001 0.0826
Onchocerca volvulus 0.0037 0.0173 0.1029
Loa Loa (eye worm) hypothetical protein 0.0028 0.0121 0.0121
Trichomonas vaginalis Importin beta-1 subunit, putative 0.0027 0.0119 0.0646
Giardia lamblia GTP-binding nuclear protein RAN/TC4 0.0025 0.0105 0.5
Loa Loa (eye worm) glutaminase 2 0.033 0.1841 0.1841
Trichomonas vaginalis chromodomain helicase DNA binding protein, putative 0.0008 0.0009 0.0046
Brugia malayi oxidoreductase, short chain dehydrogenase/reductase family protein 0.0008 0.001 0.0054
Echinococcus multilocularis histone lysine N methyltransferase SETMAR 0.0037 0.0173 0.0624
Mycobacterium ulcerans fatty-acid-CoA ligase 0.0028 0.0121 0.0606
Mycobacterium tuberculosis Peptide synthetase MbtE (peptide synthase) 0.0008 0.001 0.0546
Trypanosoma brucei acetyl-CoA synthetase, putative 0.0008 0.001 0.0645
Trichomonas vaginalis conserved hypothetical protein 0.0008 0.0009 0.0046
Loa Loa (eye worm) GTP-binding nuclear protein RAN/TC4 0.0025 0.0105 0.0105
Echinococcus multilocularis mixed lineage leukemia protein mll 0.001 0.0021 0.0074
Schistosoma mansoni ran 0.0025 0.0105 0.0378
Loa Loa (eye worm) nucleolar RNA-associated protein alpha 0.0359 0.2005 0.2004
Loa Loa (eye worm) hypothetical protein 0.0021 0.0082 0.0081
Mycobacterium tuberculosis Probable chain -fatty-acid-CoA ligase FadD13 (fatty-acyl-CoA synthetase) 0.0028 0.0121 1
Toxoplasma gondii GTP-binding nuclear protein ran/tc4 0.0025 0.0105 0.0105
Schistosoma mansoni histone-lysine n-methyltransferase suv9 0.0037 0.0173 0.0626
Trichomonas vaginalis Importin beta-1 subunit, putative 0.0027 0.0119 0.0646
Loa Loa (eye worm) cytoplasmic intermediate filament protein 0.0017 0.006 0.006
Echinococcus multilocularis histone lysine N methyltransferase MLL3 0.0012 0.0033 0.0117
Brugia malayi Intermediate filament tail domain containing protein 0.0031 0.0143 0.0775
Schistosoma mansoni acetyl-CoA synthetase 0.0008 0.001 0.0037
Loa Loa (eye worm) hypothetical protein 0.0015 0.0047 0.0047
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0053 0.0267 0.0964
Loa Loa (eye worm) hypothetical protein 0.0008 0.001 0.001
Loa Loa (eye worm) CXXC zinc finger family protein 0.0035 0.0161 0.0161
Loa Loa (eye worm) hypothetical protein 0.0028 0.0121 0.0121
Trichomonas vaginalis helicase, putative 0.0008 0.0009 0.0046
Brugia malayi AMP-binding enzyme family protein 0.0008 0.001 0.0054
Leishmania major importin beta-1 subunit, putative 0.0027 0.0119 0.9821
Brugia malayi cytoplasmic intermediate filament protein 0.0017 0.006 0.0324
Mycobacterium tuberculosis Phenyloxazoline synthase MbtB (phenyloxazoline synthetase) 0.0008 0.001 0.0546
Echinococcus granulosus intermediate filament protein 0.0031 0.0143 0.0514
Plasmodium vivax importin-beta 2, putative 0.0034 0.0155 0.8952
Toxoplasma gondii AMP-binding enzyme domain-containing protein 0.0008 0.001 0.001
Mycobacterium tuberculosis Probable medium chain fatty-acid-CoA ligase FadD14 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase) 0.0008 0.001 0.0546
Trichomonas vaginalis chromodomain-helicase-DNA-binding protein, putative 0.0008 0.0009 0.0046
Loa Loa (eye worm) hypothetical protein 0.0015 0.005 0.005
Trichomonas vaginalis conserved hypothetical protein 0.0008 0.0009 0.0046
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0053 0.0267 0.0963
Entamoeba histolytica hypothetical protein 0.0027 0.0119 0.9821
Leishmania major 4-coumarate:coa ligase-like protein 0.0028 0.0121 1
Brugia malayi GTP-binding nuclear protein RAN/TC4 0.0025 0.0105 0.0568
Entamoeba histolytica acyl-CoA synthetase, putative 0.0028 0.0121 1
Mycobacterium ulcerans glutaminase 0.033 0.1841 1
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0053 0.0267 0.0964
Entamoeba histolytica acyl-CoA synthetase, putative 0.0028 0.0121 1
Mycobacterium ulcerans hypothetical protein 0.0028 0.0121 0.0606
Brugia malayi glutaminase DH11.1 0.033 0.1841 1
Mycobacterium tuberculosis Probable peptide synthetase Nrp (peptide synthase) 0.0008 0.001 0.0546
Loa Loa (eye worm) AMP-binding enzyme family protein 0.0008 0.001 0.001
Schistosoma mansoni lamin 0.0031 0.0143 0.0516
Plasmodium falciparum importin beta, putative 0.0034 0.0155 1
Loa Loa (eye worm) hypothetical protein 0.1765 1 1
Trichomonas vaginalis conserved hypothetical protein 0.0008 0.0009 0.0046
Loa Loa (eye worm) hypothetical protein 0.0034 0.0155 0.0155
Toxoplasma gondii Acetyl-coenzyme A synthetase 2, putative 0.0008 0.001 0.001
Echinococcus granulosus snurportin 1 0.0359 0.2005 0.723
Toxoplasma gondii hypothetical protein 0.1765 1 1
Loa Loa (eye worm) histone methyltransferase 0.0012 0.0033 0.0032
Plasmodium falciparum GTP-binding nuclear protein RAN/TC4 0.0025 0.0105 0.6744
Trichomonas vaginalis conserved hypothetical protein 0.0008 0.0009 0.0046
Echinococcus multilocularis snurportin 1 0.0359 0.2005 0.723
Leishmania major 4-coumarate:coa ligase-like protein 0.0028 0.0121 1
Loa Loa (eye worm) hypothetical protein 0.0021 0.0082 0.0081
Plasmodium vivax GTP-binding nuclear protein RAN/TC4, putative 0.0025 0.0105 0.6037
Schistosoma mansoni glutaminase 0.033 0.1841 0.664
Mycobacterium tuberculosis Probable fatty-acid-CoA ligase FadD8 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase) 0.0008 0.001 0.0546
Loa Loa (eye worm) hypothetical protein 0.0028 0.0121 0.0121
Plasmodium vivax SET domain protein, putative 0.0037 0.0173 1
Echinococcus granulosus dnaJ subfamily B 0.0494 0.2773 1
Schistosoma mansoni cpg binding protein 0.0037 0.0173 0.0623
Brugia malayi AMP-binding enzyme family protein 0.0028 0.0121 0.0657
Echinococcus multilocularis importin subunit beta 1 0.0034 0.0155 0.0559
Brugia malayi acetyl-Coenzyme A synthetase 2 0.0008 0.001 0.0054
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0053 0.0267 0.0963
Mycobacterium tuberculosis Fatty-acid-CoA synthetase FadD17 (fatty-acid-CoA synthase) (fatty-acid-CoA ligase) 0.0008 0.001 0.0546
Entamoeba histolytica acyl-coA synthetase, putative 0.0028 0.0121 1
Toxoplasma gondii HEAT repeat-containing protein 0.0034 0.0155 0.0155
Mycobacterium tuberculosis Peptide synthetase MbtF (peptide synthase) 0.0008 0.001 0.0546
Echinococcus granulosus histone lysine methyltransferase setb 0.0037 0.0173 0.0624
Loa Loa (eye worm) hypothetical protein 0.1765 1 1
Brugia malayi Pre-SET motif family protein 0.0037 0.0173 0.094
Toxoplasma gondii histone lysine methyltransferase SET1 0.0067 0.0345 0.0345
Mycobacterium leprae PROBABLE FATTY-ACID-CoA LIGASE FADD2 (FATTY-ACID-CoA SYNTHETASE) (FATTY-ACID-CoA SYNTHASE) 0.0028 0.0121 1
Mycobacterium ulcerans long-chain-fatty-acid-CoA ligase 0.0028 0.0121 0.0606
Echinococcus multilocularis histone lysine N methyltransferase MLL3 0.001 0.0021 0.0074
Loa Loa (eye worm) pre-SET domain-containing protein family protein 0.0252 0.1397 0.1397
Schistosoma mansoni intermediate filament proteins 0.0031 0.0143 0.0516
Echinococcus multilocularis histone lysine methyltransferase setb histone lysine methyltransferase eggless 0.0037 0.0173 0.0624
Chlamydia trachomatis acylglycerophosphoethanolamine acyltransferase 0.0021 0.0082 0.5
Schistosoma mansoni hypothetical protein 0.0359 0.2005 0.723
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0053 0.0267 0.0964
Mycobacterium ulcerans fatty-acid-CoA ligase 0.0021 0.0082 0.0389
Entamoeba histolytica long-chain-fatty-acid--CoA ligase, putative 0.0008 0.001 0.0826
Trypanosoma brucei long-chain-fatty-acid-CoA ligase, putative 0.0008 0.001 0.0645
Onchocerca volvulus 0.0287 0.1595 1
Trichomonas vaginalis chromodomain helicase DNA binding protein, putative 0.0008 0.0009 0.0046
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0053 0.0267 0.0963
Schistosoma mansoni importin-beta 2 0.0006 0 0.0001
Schistosoma mansoni cpg binding protein 0.0035 0.0161 0.0582
Trichomonas vaginalis conserved hypothetical protein 0.0008 0.0009 0.0046
Mycobacterium tuberculosis P-hydroxybenzoyl-AMP ligase FadD22 0.0008 0.001 0.0546
Trichomonas vaginalis conserved hypothetical protein 0.0008 0.0009 0.0046
Loa Loa (eye worm) hypothetical protein 0.0008 0.001 0.001
Mycobacterium ulcerans acyl-CoA synthetase 0.0028 0.0121 0.0606
Trichomonas vaginalis conserved hypothetical protein 0.0008 0.0009 0.0046
Trichomonas vaginalis chromodomain helicase DNA binding protein, putative 0.0008 0.0009 0.0046
Trichomonas vaginalis chromodomain helicase DNA binding protein, putative 0.0008 0.0009 0.0046
Echinococcus granulosus acetyl coenzyme A synthetase cytoplasmic 0.0008 0.001 0.0036
Schistosoma mansoni ran 0.0025 0.0105 0.0378
Entamoeba histolytica Ran family GTPase 0.0025 0.0105 0.8638
Echinococcus multilocularis dnaJ subfamily B 0.0494 0.2773 1
Plasmodium vivax acyl-CoA synthetase, putative 0.0021 0.0082 0.4695
Leishmania major GTP-binding protein, putative 0.0025 0.0105 0.8638
Mycobacterium tuberculosis Probable fatty-acid-CoA ligase FadD5 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase) 0.002 0.0075 0.6071
Trichomonas vaginalis conserved hypothetical protein 0.0008 0.0009 0.0046
Schistosoma mansoni mixed-lineage leukemia protein mll 0.001 0.0021 0.0075
Echinococcus granulosus lamin dm0 0.0031 0.0143 0.0514
Echinococcus granulosus GTP binding nuclear protein Ran 0.0025 0.0105 0.0377
Trypanosoma brucei importin beta-1 subunit, putative 0.0034 0.0155 1
Brugia malayi Importin beta-1 subunit 0.0034 0.0155 0.0842
Trypanosoma brucei importin beta-1 subunit, putative 0.0034 0.0155 1
Brugia malayi AMP-binding enzyme family protein 0.0008 0.001 0.0054
Loa Loa (eye worm) hypothetical protein 0.0031 0.0143 0.0143
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0037 0.0173 0.0626
Mycobacterium tuberculosis Bifunctional enzyme MbtA: salicyl-AMP ligase (SAL-AMP ligase) + salicyl-S-ArCP synthetase 0.0008 0.001 0.0546
Trichomonas vaginalis set domain proteins, putative 0.0287 0.1595 0.8662
Echinococcus granulosus histone lysine N methyltransferase MLL3 0.0012 0.0033 0.0117
Echinococcus multilocularis lamin dm0 0.0031 0.0143 0.0514
Schistosoma mansoni mixed-lineage leukemia protein mll 0.0075 0.039 0.1407
Echinococcus multilocularis cpg binding protein 0.0037 0.0173 0.0621
Echinococcus granulosus mixed lineage leukemia protein mll 0.001 0.0021 0.0074
Loa Loa (eye worm) inward rectifying k channel family protein 1 0.1765 1 1
Schistosoma mansoni importin beta-1 0.0034 0.0155 0.056
Brugia malayi RNA, U transporter 1 0.0096 0.0508 0.2756
Trichomonas vaginalis chromodomain-helicase-DNA-binding protein, putative 0.0008 0.0009 0.0046
Mycobacterium tuberculosis Probable fatty-acid-CoA ligase FadD7 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase) 0.002 0.0075 0.6071
Brugia malayi Pre-SET motif family protein 0.0252 0.1397 0.759
Schistosoma mansoni cpg binding protein 0.0037 0.0173 0.0623
Toxoplasma gondii histone lysine methyltransferase SET/SUV39 0.0037 0.0173 0.0173
Schistosoma mansoni lamin 0.0031 0.0143 0.0516
Trypanosoma cruzi GTP-binding nuclear protein rtb2, putative 0.0025 0.0105 0.8685
Onchocerca volvulus 0.0028 0.0121 0.0701
Trypanosoma cruzi GTP-binding nuclear protein rtb2, putative 0.0025 0.0105 0.8685
Mycobacterium tuberculosis Possible fatty-acid-CoA ligase FadD10 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase) 0.0008 0.001 0.0546
Brugia malayi GTP-binding regulatory protein Gs alpha-S chain, putative 0.0053 0.0267 0.1451
Echinococcus granulosus cpg binding protein 0.0037 0.0173 0.0621
Brugia malayi intermediate filament protein 0.0031 0.0143 0.0775
Brugia malayi AMP-binding enzyme family protein 0.0008 0.001 0.0054
Brugia malayi AMP-binding enzyme family protein 0.0008 0.001 0.0054
Mycobacterium ulcerans long-chain-fatty-acid--CoA ligase 0.0028 0.0121 0.0606
Trypanosoma brucei GTP-binding nuclear protein rtb2, putative 0.0025 0.0105 0.6744
Echinococcus granulosus histone lysine N methyltransferase MLL3 0.001 0.0021 0.0074
Loa Loa (eye worm) intermediate filament tail domain-containing protein 0.0031 0.0143 0.0143
Echinococcus granulosus lamin 0.0031 0.0143 0.0514
Trichomonas vaginalis antibiotic synthetase, putative 0.0008 0.001 0.0054
Loa Loa (eye worm) hypothetical protein 0.0021 0.0082 0.0081
Echinococcus multilocularis GTP binding nuclear protein Ran 0.0025 0.0105 0.0377
Leishmania major 4-coumarate:coa ligase-like protein 0.0028 0.0121 1
Loa Loa (eye worm) hypothetical protein 0.0037 0.0173 0.0173

Activities

Activity type Activity value Assay description Source Reference
Potency (functional) 0.8913 uM PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of Histone Lysine Methyltransferase G9a. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID504404] ChEMBL. No reference
Potency (functional) = 3.9811 um PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of Influenza NS1 Protein Function. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 6.3096 uM PubChem BioAssay. qHTS for Inhibitors of Glutaminase (GLS). (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) = 8.9125 um PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors Targeting the Menin-MLL Interaction in MLL Related Leukemias: Competition With Texas Red Labeled MLL-derived Mutant Peptide. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) = 31.6228 um PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of Aldehyde Dehydrogenase 1 (ALDH1A1). (Class of assay: confirmatory) [Related pubchem assays: 1030 (qHTS Validation Assay for Inhibitors of aldehyde dehydrogenase 1 (ALDH1A1))] ChEMBL. No reference
Potency (functional) 39.8107 uM PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of GCN5L2. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID504398] ChEMBL. No reference
Potency (functional) 100 uM PUBCHEM_BIOASSAY: qHTS for Inhibitors of Polymerase Iota. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID588623] ChEMBL. No reference

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.
 
In any case, if you have information about papers containing relevant validation data for this target, please log in using your TDR Targets username and password and send them to us using the corresponding form in this page (only visible to registered users) or contact us.

External resources for this compound

Bibliographic References

No literature references available for this target.

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