Detailed information for compound 1484156

Basic information

Technical information
  • TDR Targets ID: 1484156
  • Name: 1-(1-ethylpyrrolidin-2-yl)-N-[(3,4,5-trimetho xyphenyl)methyl]methanamine hydrochloride
  • MW: 344.877 | Formula: C17H29ClN2O3
  • H donors: 1 H acceptors: 0 LogP: 2.96 Rotable bonds: 8
    Rule of 5 violations (Lipinski): 1
  • SMILES: CCN1CCCC1CNCc1cc(OC)c(c(c1)OC)OC.Cl
  • InChi: 1S/C17H28N2O3.ClH/c1-5-19-8-6-7-14(19)12-18-11-13-9-15(20-2)17(22-4)16(10-13)21-3;/h9-10,14,18H,5-8,11-12H2,1-4H3;1H
  • InChiKey: NVSTWCZQQMEVLA-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

  • 1-(1-ethyl-2-pyrrolidinyl)-N-[(3,4,5-trimethoxyphenyl)methyl]methanamine hydrochloride
  • (1-ethylpyrrolidin-2-yl)methyl-(3,4,5-trimethoxybenzyl)amine hydrochloride
  • MLS000538935
  • SMR000144850
  • [(1-ethyl-2-pyrrolidinyl)methyl](3,4,5-trimethoxybenzyl)amine dihydrochloride

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
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
Trichomonas vaginalis set domain proteins, putative Get druggable targets OG5_131470 All targets in OG5_131470
Onchocerca volvulus Get druggable targets OG5_131470 All targets in OG5_131470
Brugia malayi Pre-SET motif family protein Get druggable targets OG5_131470 All targets in OG5_131470
Loa Loa (eye worm) pre-SET domain-containing protein family protein Get druggable targets OG5_131470 All targets in OG5_131470
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
Trichomonas vaginalis dihydrodiol dehydrogenase, putative 0.0957 1 1
Echinococcus granulosus aldo keto reductase family 1 member B4 0.0957 1 1
Toxoplasma gondii aldose reductase, putative 0.0957 1 1
Leishmania major 4-coumarate:coa ligase-like protein 0.0025 0.0201 0.0184
Echinococcus granulosus Protein patched homolog 1 0.0043 0.0396 0.0379
Echinococcus multilocularis protein patched 0.0043 0.0396 0.0379
Mycobacterium tuberculosis Probable fatty-acid-CoA ligase FadD3 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase) 0.0017 0.0125 0.0118
Echinococcus granulosus aldo keto reductase family 1 member B4 0.0957 1 1
Mycobacterium tuberculosis Probable fatty-acid-CoA ligase FadD2 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase) 0.0025 0.0201 0.0195
Echinococcus multilocularis aldo keto reductase family 1, member B4 0.0957 1 1
Brugia malayi AMP-binding enzyme family protein 0.0025 0.0201 0.0196
Echinococcus multilocularis expressed conserved protein 0.0095 0.0937 0.0921
Mycobacterium tuberculosis Probable fatty-acid-CoA ligase FadD35 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase) 0.0017 0.0125 0.0118
Trichomonas vaginalis aldo-keto reductase, putative 0.0957 1 1
Brugia malayi oxidoreductase, aldo/keto reductase family protein 0.0957 1 1
Mycobacterium ulcerans acyl-CoA synthetase 0.0025 0.0201 0.0184
Trichomonas vaginalis aldo-keto reductase, putative 0.0957 1 1
Trichomonas vaginalis set domain proteins, putative 0.0287 0.2954 0.2946
Schistosoma mansoni potassium channel beta 0.0277 0.2855 0.2855
Entamoeba histolytica alcohol dehydrogenase, putative 0.0277 0.2855 0.2842
Toxoplasma gondii AMP-binding enzyme domain-containing protein 0.0007 0.0017 0.0012
Trichomonas vaginalis conserved hypothetical protein 0.0043 0.0396 0.0384
Loa Loa (eye worm) GTP-binding regulatory protein Gs alpha-S chain 0.0048 0.0443 0.0438
Trypanosoma cruzi aldo-keto reductase 0.0957 1 1
Mycobacterium tuberculosis Probable peptide synthetase Nrp (peptide synthase) 0.0007 0.0017 0.0011
Plasmodium vivax acyl-CoA synthetase, putative 0.0019 0.0135 0.0457
Brugia malayi glutamate-cysteine ligase modifier subunit 0.0277 0.2855 0.2851
Trichomonas vaginalis aldo-keto reductase, putative 0.0957 1 1
Echinococcus granulosus geminin 0.0177 0.1801 0.1787
Echinococcus multilocularis aldo keto reductase family 1, member B4 0.0957 1 1
Mycobacterium leprae Possible oxidoreductase 0.0277 0.2855 0.2842
Loa Loa (eye worm) hypothetical protein 0.0158 0.16 0.1595
Echinococcus granulosus aldo keto reductase family 1 member B4 0.0957 1 1
Echinococcus multilocularis atpase aaa+ type core atpase aaa type core 0.0847 0.8842 0.884
Brugia malayi oxidoreductase, short chain dehydrogenase/reductase family protein 0.0007 0.0017 0.0012
Trypanosoma brucei prostaglandin f synthase 0.0957 1 1
Loa Loa (eye worm) oxidoreductase 0.0957 1 1
Schistosoma mansoni hypothetical protein 0.0177 0.1801 0.1801
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0037 0.0327 0.0327
Toxoplasma gondii histone lysine methyltransferase SET/SUV39 0.0037 0.0327 0.0322
Schistosoma mansoni hypothetical protein 0.0042 0.038 0.038
Schistosoma mansoni cpg binding protein 0.003 0.0256 0.0256
Brugia malayi hypothetical protein 0.0158 0.16 0.1595
Entamoeba histolytica aldose reductase, putative 0.0957 1 1
Schistosoma mansoni histone-lysine n-methyltransferase suv9 0.0037 0.0327 0.0327
Loa Loa (eye worm) hypothetical protein 0.0037 0.0327 0.0322
Leishmania major aldo-keto reductase-like protein 0.0957 1 1
Plasmodium vivax SET domain protein, putative 0.0037 0.0327 0.1128
Mycobacterium tuberculosis Conserved protein 0.0277 0.2855 0.285
Echinococcus granulosus aldo keto reductase family 1 member B4 0.0957 1 1
Loa Loa (eye worm) CXXC zinc finger family protein 0.003 0.0256 0.0251
Brugia malayi acetyl-Coenzyme A synthetase 2 0.0007 0.0017 0.0012
Echinococcus granulosus 5'partial|histone lysine N methyltransferase SETDB2 0.0035 0.0306 0.0289
Mycobacterium tuberculosis P-hydroxybenzoyl-AMP ligase FadD22 0.0007 0.0017 0.0011
Mycobacterium ulcerans fatty-acid-CoA ligase 0.0019 0.0135 0.0118
Echinococcus granulosus histone lysine methyltransferase setb 0.0037 0.0327 0.031
Trichomonas vaginalis aldo/keto reductase, putative 0.0957 1 1
Loa Loa (eye worm) glutamate-cysteine ligase modifier subunit 0.0277 0.2855 0.2851
Echinococcus multilocularis histone lysine N methyltransferase SETMAR 0.0037 0.0327 0.031
Trichomonas vaginalis antibiotic synthetase, putative 0.0007 0.0017 0.0005
Plasmodium vivax oxidoreductase, aldo/keto reductase domain containing protein 0.0277 0.2855 1
Echinococcus multilocularis aldo keto reductase family 1, member B4 0.0957 1 1
Mycobacterium ulcerans oxidoreductase 0.0957 1 1
Loa Loa (eye worm) hypothetical protein 0.0101 0.1001 0.0997
Schistosoma mansoni aldo-keto reductase 0.0957 1 1
Entamoeba histolytica acyl-CoA synthetase, putative 0.0025 0.0201 0.0184
Echinococcus granulosus aldo keto reductase 0.0957 1 1
Echinococcus granulosus Niemann Pick C1 protein 0.0144 0.1456 0.1442
Trichomonas vaginalis conserved hypothetical protein 0.0277 0.2855 0.2846
Toxoplasma gondii oxidoreductase, aldo/keto reductase family protein 0.0277 0.2855 0.2851
Loa Loa (eye worm) hypothetical protein 0.0019 0.0135 0.013
Onchocerca volvulus 0.0007 0.0017 0.0012
Mycobacterium tuberculosis Possible fatty-acid-CoA ligase FadD1 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase) 0.0007 0.0017 0.0011
Echinococcus granulosus expressed conserved protein 0.0095 0.0937 0.0921
Echinococcus multilocularis Niemann Pick C1 protein 0.0144 0.1456 0.1442
Brugia malayi CXXC zinc finger family protein 0.003 0.0256 0.0251
Trypanosoma cruzi aldo/keto reductase, putative 0.0277 0.2855 0.2842
Onchocerca volvulus 0.0007 0.0017 0.0012
Schistosoma mansoni pol-related 0.0957 1 1
Mycobacterium ulcerans fatty-acid-CoA ligase 0.0025 0.0201 0.0184
Plasmodium falciparum aldehyde reductase, putative 0.0277 0.2855 1
Schistosoma mansoni aldo-keto reductase 0.0957 1 1
Mycobacterium tuberculosis Peptide synthetase MbtE (peptide synthase) 0.0007 0.0017 0.0011
Onchocerca volvulus 0.0007 0.0017 0.0012
Trichomonas vaginalis aldo-keto reductase, putative 0.0957 1 1
Echinococcus granulosus aldo keto reductase family 1 member B4 0.0957 1 1
Trichomonas vaginalis aldo-keto reductase, putative 0.0957 1 1
Mycobacterium tuberculosis Probable fatty-acid-CoA ligase FadD8 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase) 0.0007 0.0017 0.0011
Echinococcus granulosus sterol regulatory element binding protein 0.0043 0.0396 0.0379
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0048 0.0443 0.0426
Onchocerca volvulus 0.0957 1 1
Loa Loa (eye worm) hypothetical protein 0.0025 0.0201 0.0196
Entamoeba histolytica Niemann-Pick C1 protein, putative 0.0101 0.1001 0.0986
Echinococcus granulosus cpg binding protein 0.0032 0.0274 0.0257
Trichomonas vaginalis aldo-keto reductase, putative 0.0957 1 1
Trichomonas vaginalis aldo-keto reductase, putative 0.0277 0.2855 0.2846
Loa Loa (eye worm) hypothetical protein 0.0007 0.0017 0.0012
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0048 0.0443 0.0443
Echinococcus granulosus dnaJ subfamily B 0.0427 0.4431 0.4421
Loa Loa (eye worm) hypothetical protein 0.0025 0.0201 0.0196
Schistosoma mansoni hypothetical protein 0.0042 0.038 0.038
Echinococcus granulosus aldo keto reductase family 1 member B4 0.0957 1 1
Schistosoma mansoni hypothetical protein 0.0042 0.038 0.038
Brugia malayi AMP-binding enzyme family protein 0.0025 0.0201 0.0196
Onchocerca volvulus 0.0957 1 1
Leishmania major aldo/keto reductase, putative,aldo/keto reductase family-like protein 0.0277 0.2855 0.2842
Toxoplasma gondii Acetyl-coenzyme A synthetase 2, putative 0.0007 0.0017 0.0012
Echinococcus multilocularis aldo keto reductase family 1, member B4 0.0957 1 1
Loa Loa (eye worm) hypothetical protein 0.0019 0.0135 0.013
Schistosoma mansoni patched 1 0.0043 0.0396 0.0396
Onchocerca volvulus 0.0007 0.0017 0.0012
Echinococcus multilocularis microtubule associated protein 2 0.0721 0.7516 0.7512
Trichomonas vaginalis aldo-keto reductase, putative 0.0957 1 1
Leishmania major prostaglandin f synthase, putative 0.0957 1 1
Schistosoma mansoni cpg binding protein 0.0032 0.0274 0.0274
Mycobacterium ulcerans acyl-CoA synthetase 0.0025 0.0201 0.0184
Loa Loa (eye worm) hypothetical protein 0.0957 1 1
Echinococcus multilocularis aldo keto reductase 0.0957 1 1
Echinococcus multilocularis aldo keto reductase family 1, member B4 0.0957 1 1
Mycobacterium tuberculosis Fatty-acid-CoA synthetase FadD17 (fatty-acid-CoA synthase) (fatty-acid-CoA ligase) 0.0007 0.0017 0.0011
Mycobacterium ulcerans hypothetical protein 0.0277 0.2855 0.2842
Echinococcus granulosus microtubule associated protein 2 0.0721 0.7516 0.7512
Mycobacterium tuberculosis Bifunctional enzyme MbtA: salicyl-AMP ligase (SAL-AMP ligase) + salicyl-S-ArCP synthetase 0.0007 0.0017 0.0011
Schistosoma mansoni hypothetical protein 0.0427 0.4431 0.4431
Echinococcus granulosus mixed lineage leukemia protein mll 0.0009 0.0033 0.0016
Giardia lamblia Aldose reductase 0.0957 1 0.5
Loa Loa (eye worm) hypothetical protein 0.0019 0.0135 0.013
Echinococcus multilocularis aldo keto reductase family 1, member B4 0.0957 1 1
Echinococcus granulosus aldo keto reductase family 1 member B4 0.0957 1 1
Schistosoma mansoni hypothetical protein 0.0177 0.1801 0.1801
Loa Loa (eye worm) oxidoreductase 0.0007 0.0017 0.0012
Mycobacterium leprae PROBABLE OXIDOREDUCTASE 0.0957 1 1
Echinococcus multilocularis protein dispatched 1 0.0049 0.046 0.0444
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0037 0.0327 0.0327
Brugia malayi Pre-SET motif family protein 0.0037 0.0327 0.0322
Onchocerca volvulus 0.0957 1 1
Trichomonas vaginalis antibiotic synthetase, putative 0.0007 0.0017 0.0005
Schistosoma mansoni hypothetical protein 0.0042 0.038 0.038
Loa Loa (eye worm) hypothetical protein 0.0019 0.0135 0.013
Trichomonas vaginalis aldo-keto reductase, putative 0.0957 1 1
Toxoplasma gondii aldo/keto reductase family oxidoreductase 0.0277 0.2855 0.2851
Echinococcus multilocularis aldo keto reductase family 1, member B4 0.0957 1 1
Schistosoma mansoni mixed-lineage leukemia protein mll 0.0065 0.0623 0.0623
Mycobacterium tuberculosis Phenyloxazoline synthase MbtB (phenyloxazoline synthetase) 0.0007 0.0017 0.0011
Mycobacterium tuberculosis Peptide synthetase MbtF (peptide synthase) 0.0007 0.0017 0.0011
Onchocerca volvulus 0.0025 0.0201 0.0196
Schistosoma mansoni microtubule-associated protein tau 0.0721 0.7516 0.7516
Entamoeba histolytica alcohol dehydrogenase, putative 0.0277 0.2855 0.2842
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0048 0.0443 0.0426
Echinococcus granulosus histone lysine N methyltransferase MLL3 0.0009 0.0033 0.0016
Brugia malayi NADH-dependent xylose reductase 0.0277 0.2855 0.2851
Mycobacterium leprae PROBABLE FATTY-ACID-CoA LIGASE FADD2 (FATTY-ACID-CoA SYNTHETASE) (FATTY-ACID-CoA SYNTHASE) 0.0025 0.0201 0.0184
Echinococcus granulosus aldo keto reductase family 1 member B4 0.0957 1 1
Trichomonas vaginalis aldo/keto reductase, putative 0.0957 1 1
Mycobacterium tuberculosis Fatty-acid-AMP ligase FadD30 (fatty-acid-AMP synthetase) (fatty-acid-AMP synthase) 0.0019 0.0135 0.0129
Echinococcus multilocularis aldehyde reductase 0.068 0.7086 0.7081
Brugia malayi AMP-binding enzyme family protein 0.0007 0.0017 0.0012
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0048 0.0443 0.0426
Toxoplasma gondii propionate-CoA ligase 0.0007 0.0017 0.0012
Plasmodium vivax acetyl-CoA synthetase, putative 0.0007 0.0017 0.0042
Onchocerca volvulus 0.0037 0.0327 0.0322
Brugia malayi AMP-binding enzyme family protein 0.0007 0.0017 0.0012
Echinococcus granulosus aldo keto reductase 0.0957 1 1
Mycobacterium ulcerans long-chain-fatty-acid-CoA ligase 0.0025 0.0201 0.0184
Entamoeba histolytica acyl-coA synthetase, putative 0.0025 0.0201 0.0184
Loa Loa (eye worm) hypothetical protein 0.0019 0.0135 0.013
Loa Loa (eye worm) hypothetical protein 0.0025 0.0201 0.0196
Loa Loa (eye worm) abnormal chemotaxis protein 14 0.0043 0.0396 0.0391
Trichomonas vaginalis aldo-keto reductase, putative 0.0957 1 1
Mycobacterium leprae PROBABLE FATTY-ACID-CoA LIGASE FADD7 (FATTY-ACID-CoA SYNTHETASE) (FATTY-ACID-CoA SYNTHASE) 0.0025 0.0201 0.0184
Echinococcus multilocularis aldo keto reductase family 1, member B4 0.0957 1 1
Echinococcus granulosus aldo keto reductase 0.0957 1 1
Giardia lamblia Aldose reductase 0.0957 1 0.5
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0048 0.0443 0.0443
Onchocerca volvulus 0.0158 0.16 0.1595
Loa Loa (eye worm) AMP-binding enzyme family protein 0.0007 0.0017 0.0012
Loa Loa (eye worm) oxidoreductase 0.0957 1 1
Echinococcus multilocularis histone lysine methyltransferase setb histone lysine methyltransferase eggless 0.0037 0.0327 0.031
Entamoeba histolytica aldose reductase, putative 0.0957 1 1
Echinococcus multilocularis aldo keto reductase family 1, member B4 0.0957 1 1
Trypanosoma brucei aldo-keto reductase, putative 0.0957 1 1
Schistosoma mansoni acetyl-CoA synthetase 0.0007 0.0017 0.0017
Brugia malayi CHE-14 protein 0.0043 0.0396 0.0391
Trichomonas vaginalis dihydrodiol dehydrogenase, putative 0.0957 1 1
Trypanosoma brucei aldo/keto reductase, putative 0.0277 0.2855 0.2842
Echinococcus multilocularis histone lysine N methyltransferase MLL3 0.0009 0.0033 0.0016
Trichomonas vaginalis aldo-keto reductase, putative 0.0277 0.2855 0.2846
Echinococcus granulosus aldehyde reductase 0.068 0.7086 0.7081
Leishmania major aldehyde reductase, putative,oxidoreductase, putative 0.0957 1 1
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0048 0.0443 0.0443
Trichomonas vaginalis alcohol dehydrogenase, putative 0.0277 0.2855 0.2846
Brugia malayi AMP-binding enzyme family protein 0.0025 0.0201 0.0196
Schistosoma mansoni mixed-lineage leukemia protein mll 0.0009 0.0033 0.0033
Loa Loa (eye worm) oxidoreductase 0.0957 1 1
Entamoeba histolytica acyl-CoA synthetase, putative 0.0025 0.0201 0.0184
Schistosoma mansoni niemann-pick C1 (NPC1) 0.0102 0.1018 0.1018
Plasmodium falciparum acetyl-CoA synthetase, putative 0.0007 0.0017 0.0042
Echinococcus granulosus Niemann Pick C1 protein 0.0101 0.1001 0.0986
Schistosoma mansoni cpg binding protein 0.0032 0.0274 0.0274
Echinococcus multilocularis aldo keto reductase 0.0957 1 1
Echinococcus multilocularis sterol regulatory element binding protein 0.0043 0.0396 0.0379
Mycobacterium tuberculosis Probable fatty-acid-CoA ligase FadD5 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase) 0.0017 0.0125 0.0118
Loa Loa (eye worm) hypothetical protein 0.0007 0.0017 0.0012
Plasmodium falciparum aldo-keto reductase, putative 0.0277 0.2855 1
Toxoplasma gondii aldo-keto reductase 0.0277 0.2855 0.2851
Echinococcus multilocularis histone lysine N methyltransferase MLL3 0.0011 0.0052 0.0035
Onchocerca volvulus 0.0957 1 1
Echinococcus multilocularis aldo keto reductase 0.0957 1 1
Brugia malayi F/Y-rich N-terminus family protein 0.001 0.0051 0.0046
Brugia malayi Pre-SET motif family protein 0.0252 0.2589 0.2585
Echinococcus multilocularis dnaJ subfamily B 0.0427 0.4431 0.4421
Leishmania major 4-coumarate:coa ligase-like protein 0.0025 0.0201 0.0184
Loa Loa (eye worm) oxidoreductase 0.0957 1 1
Trichomonas vaginalis aldo-keto reductase, putative 0.0957 1 1
Chlamydia trachomatis acylglycerophosphoethanolamine acyltransferase 0.0019 0.0135 0.5
Toxoplasma gondii histone lysine methyltransferase SET1 0.0058 0.0552 0.0547
Leishmania major 4-coumarate:coa ligase-like protein 0.0025 0.0201 0.0184
Onchocerca volvulus 0.003 0.0256 0.0251
Echinococcus multilocularis aldo keto reductase family 1, member B4 0.0957 1 1
Onchocerca volvulus 0.0957 1 1
Brugia malayi oxidoreductase, aldo/keto reductase family protein 0.0957 1 1
Entamoeba histolytica aldose reductase, putative 0.0957 1 1
Mycobacterium tuberculosis Probable medium chain fatty-acid-CoA ligase FadD14 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase) 0.0007 0.0017 0.0011
Echinococcus granulosus aldo keto reductase family 1 member B4 0.0957 1 1
Echinococcus multilocularis mixed lineage leukemia protein mll 0.0009 0.0033 0.0016
Mycobacterium ulcerans long-chain-fatty-acid--CoA ligase 0.0025 0.0201 0.0184
Loa Loa (eye worm) histone methyltransferase 0.0011 0.0052 0.0047
Brugia malayi GTP-binding regulatory protein Gs alpha-S chain, putative 0.0048 0.0443 0.0438
Brugia malayi AMP-binding enzyme family protein 0.0007 0.0017 0.0012
Brugia malayi Niemann-Pick C1 protein precursor 0.0101 0.1001 0.0997
Trichomonas vaginalis aldo-keto reductase, putative 0.0957 1 1
Mycobacterium tuberculosis Probable chain -fatty-acid-CoA ligase FadD13 (fatty-acyl-CoA synthetase) 0.0025 0.0201 0.0195
Plasmodium vivax aldehyde reductase, putative 0.0277 0.2855 1
Echinococcus granulosus aldo keto reductase family 1, member B4 0.0277 0.2855 0.2842
Echinococcus granulosus hypothetical protein 0.0957 1 1
Leishmania major prostaglandin f2-alpha synthase/D-arabinose dehydrogenase 0.0957 1 1
Echinococcus multilocularis aldo keto reductase 0.0957 1 1
Echinococcus granulosus histone lysine N methyltransferase MLL3 0.0011 0.0052 0.0035
Mycobacterium tuberculosis Possible fatty-acid-CoA ligase FadD10 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase) 0.0007 0.0017 0.0011
Mycobacterium tuberculosis Probable fatty-acid-CoA ligase FadD7 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase) 0.0017 0.0125 0.0118
Onchocerca volvulus 0.0957 1 1
Echinococcus multilocularis aldo keto reductase family 1, member B4 0.0957 1 1
Brugia malayi oxidoreductase, aldo/keto reductase family protein 0.0957 1 1
Echinococcus granulosus voltage gated potassium channel subunit 0.0277 0.2855 0.2842
Mycobacterium tuberculosis Probable oxidoreductase 0.0957 1 1
Trichomonas vaginalis dihydrodiol dehydrogenase, putative 0.0957 1 1
Brugia malayi AMP-binding enzyme family protein 0.0007 0.0017 0.0012
Mycobacterium ulcerans acyl-CoA synthetase 0.0025 0.0201 0.0184
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0048 0.0443 0.0426
Loa Loa (eye worm) hypothetical protein 0.0043 0.0396 0.0391
Trichomonas vaginalis aldo/keto reductase, putative 0.0957 1 1
Onchocerca volvulus 0.0287 0.2954 0.2951
Mycobacterium ulcerans hypothetical protein 0.0025 0.0201 0.0184
Loa Loa (eye worm) hypothetical protein 0.0053 0.0498 0.0493
Echinococcus multilocularis cpg binding protein 0.0032 0.0274 0.0257
Plasmodium falciparum acyl-CoA synthetase 0.0019 0.0135 0.0457
Echinococcus multilocularis voltage gated potassium channel subunit 0.0277 0.2855 0.2842
Echinococcus multilocularis Niemann Pick C1 protein 0.0101 0.1001 0.0986
Trichomonas vaginalis aldo-keto reductase, putative 0.0277 0.2855 0.2846
Mycobacterium ulcerans long-chain fatty-acid CoA ligase 0.0025 0.0201 0.0184
Loa Loa (eye worm) pre-SET domain-containing protein family protein 0.0252 0.2589 0.2585
Mycobacterium leprae Conserved hypothetical protein 0.068 0.7086 0.7081
Loa Loa (eye worm) AMP-binding enzyme family protein 0.0007 0.0017 0.0012
Onchocerca volvulus 0.0277 0.2855 0.2851
Trypanosoma cruzi aldo/keto reductase, putative 0.0957 1 1
Echinococcus multilocularis geminin 0.0177 0.1801 0.1787
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0037 0.0327 0.0327
Loa Loa (eye worm) oxidoreductase 0.0957 1 1
Trichomonas vaginalis aldo-keto reductase, putative 0.0957 1 1

Activities

Activity type Activity value Assay description Source Reference
Potency (functional) 10 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) 25.1189 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.
 
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External resources for this compound

Bibliographic References

No literature references available for this target.

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