Detailed information for compound 1413270

Basic information

Technical information
  • TDR Targets ID: 1413270
  • Name: [2-[ethyl-(4-fluorophenyl)amino]-2-oxoethyl] 1-methylindole-3-carboxylate
  • MW: 354.375 | Formula: C20H19FN2O3
  • H donors: 0 H acceptors: 2 LogP: 3.41 Rotable bonds: 7
    Rule of 5 violations (Lipinski): 1
  • SMILES: CCN(c1ccc(cc1)F)C(=O)COC(=O)c1cn(c2c1cccc2)C
  • InChi: 1S/C20H19FN2O3/c1-3-23(15-10-8-14(21)9-11-15)19(24)13-26-20(25)17-12-22(2)18-7-5-4-6-16(17)18/h4-12H,3,13H2,1-2H3
  • InChiKey: LDCJMJXYMCCQRX-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

  • [2-[ethyl-(4-fluorophenyl)amino]-2-oxo-ethyl] 1-methylindole-3-carboxylate
  • 1-methyl-3-indolecarboxylic acid [2-[ethyl-(4-fluorophenyl)amino]-2-oxoethyl] ester
  • 1-methylindole-3-carboxylic acid [2-[ethyl-(4-fluorophenyl)amino]-2-keto-ethyl] ester
  • T5512674

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Homo sapiens GNAS complex locus Starlite/ChEMBL No references
Homo sapiens ataxin 2 Starlite/ChEMBL No references
Escherichia coli penicillin-binding protein Starlite/ChEMBL No references
Homo sapiens glucagon-like peptide 1 receptor Starlite/ChEMBL No references

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Loa Loa (eye worm) GTP-binding regulatory protein Gs alpha-S chain Get druggable targets OG5_131088 All targets in OG5_131088
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) Get druggable targets OG5_131088 All targets in OG5_131088
Echinococcus granulosus guanine nucleotide binding protein Gs subunit Get druggable targets OG5_131088 All targets in OG5_131088
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit Get druggable targets OG5_131088 All targets in OG5_131088
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit Get druggable targets OG5_131088 All targets in OG5_131088
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) Get druggable targets OG5_131088 All targets in OG5_131088
Brugia malayi GTP-binding regulatory protein Gs alpha-S chain, putative Get druggable targets OG5_131088 All targets in OG5_131088
Schistosoma japonicum ko:K04632 guanine nucleotide binding protein (G protein), alpha stimulating, putative Get druggable targets OG5_131088 All targets in OG5_131088
Mycobacterium tuberculosis Possible penicillin-binding protein Get druggable targets OG5_149948 All targets in OG5_149948
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) Get druggable targets OG5_131088 All targets in OG5_131088
Echinococcus granulosus guanine nucleotide binding protein Gs subunit Get druggable targets OG5_131088 All targets in OG5_131088
By sequence similarity to non orthologous known druggable targets
Species Potential target Known druggable target Length Alignment span Identity
Schistosoma mansoni GTP-binding protein alpha subunit gna GNAS complex locus 394 aa 450 aa 28.7 %
Loa Loa (eye worm) pigment dispersing factor receptor c glucagon-like peptide 1 receptor 463 aa 388 aa 25.8 %
Obtained from network model

Ranking Plot

Putative Targets List

Species Potential target Raw Global Species
Trichomonas vaginalis beta lactamase domain, putative 0.0015 0.0118 0.0124
Schistosoma mansoni ets 0.001 0.003 0.0087
Trichomonas vaginalis conserved hypothetical protein 0.0015 0.0118 0.0124
Trichomonas vaginalis beta lactamase domain, putative 0.0015 0.0118 0.0124
Brugia malayi Hypothetical 52.5 kDa protein ZK945.1 in chromosome II, putative 0.0043 0.0586 0.0746
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0055 0.0782 0.2297
Schistosoma mansoni ferritin light chain 0.0017 0.0148 0.0434
Toxoplasma gondii hydroxyacylglutathione hydrolase 0.0015 0.0118 0.0031
Echinococcus multilocularis cadherin EGF LAG seven pass G type receptor 0.0019 0.0178 0.0199
Schistosoma mansoni apoferritin-2 0.0017 0.0148 0.0434
Entamoeba histolytica serine/threonine protein kinase, putative 0.0192 0.3065 1
Mycobacterium ulcerans lipoprotein LpqF 0.0191 0.3048 0.2965
Trichomonas vaginalis conserved hypothetical protein 0.0075 0.1115 0.3465
Echinococcus granulosus lysine specific demethylase 5A 0.006 0.0864 0.1119
Echinococcus multilocularis zinc phosphodiesterase 0.0015 0.0118 0.0119
Echinococcus granulosus Basic leucine zipper bZIP transcription 0.0073 0.1081 0.141
Schistosoma mansoni jumonji/arid domain-containing protein 0.006 0.0864 0.2538
Echinococcus multilocularis kelch ECH associated protein 1 0.0192 0.3064 0.407
Onchocerca volvulus 0.0146 0.2296 0.7393
Echinococcus multilocularis mixed lineage leukemia protein mll 0.0015 0.0102 0.0097
Schistosoma mansoni cpg binding protein 0.0058 0.0834 0.2451
Loa Loa (eye worm) PLK/PLK1 protein kinase 0.0192 0.3065 0.4071
Trypanosoma cruzi Vps23 core domain containing protein, putative 0.0045 0.0615 0.1699
Echinococcus granulosus muscleblind protein 0.0304 0.4928 0.657
Loa Loa (eye worm) beta-LACTamase domain containing family member 0.0043 0.0586 0.0746
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0055 0.0782 0.1009
Plasmodium vivax hydroxyacyl glutathione hydrolase, putative 0.0015 0.0118 0.0103
Trypanosoma cruzi hydroxyacylglutathione hydrolase, putative 0.0015 0.0118 0.0017
Trichomonas vaginalis A-type flavoprotein 0.0015 0.0118 0.0124
Onchocerca volvulus Huntingtin homolog 0.0118 0.1835 0.5828
Echinococcus granulosus geminin 0.0181 0.2877 0.3819
Loa Loa (eye worm) hypothetical protein 0.0043 0.0586 0.0746
Mycobacterium tuberculosis Probable esterase/lipase LipP 0.0043 0.0586 0.0473
Trypanosoma cruzi hydroxyacylglutathione hydrolase, putative 0.0015 0.0118 0.0017
Loa Loa (eye worm) transcription factor SMAD2 0.0115 0.1785 0.2355
Echinococcus multilocularis survival motor neuron protein 1 0.0457 0.7485 1
Schistosoma mansoni ets-related 0.001 0.003 0.0087
Schistosoma mansoni tsg101-related 0.0096 0.1465 0.4302
Mycobacterium ulcerans beta-lactamase 0.0043 0.0586 0.0473
Plasmodium vivax hypothetical protein, conserved 0.0043 0.0586 1
Trypanosoma cruzi UEV domain/Zinc finger, C3HC4 type (RING finger), putative 0.0024 0.0255 0.048
Mycobacterium ulcerans esterase/lipase LipP 0.0043 0.0586 0.0473
Mycobacterium ulcerans lipase LipD 0.0043 0.0586 0.0473
Trypanosoma brucei glyoxalase II 0.0015 0.0118 0.0017
Onchocerca volvulus Serine\/threonine kinase homolog 0.0192 0.3065 1
Schistosoma mansoni phd/f-box containing protein 0.0015 0.0113 0.0332
Loa Loa (eye worm) hypothetical protein 0.006 0.0858 0.1112
Trypanosoma brucei hypothetical protein, conserved 0.0043 0.0586 0.1602
Brugia malayi jmjC domain containing protein 0.006 0.0864 0.1119
Toxoplasma gondii histone lysine methyltransferase SET1 0.0111 0.1706 1
Echinococcus granulosus kelch ECH associated protein 1 0.0192 0.3064 0.407
Schistosoma mansoni hypothetical protein 0.0181 0.2877 0.8449
Echinococcus granulosus kelch ECH associated protein 1 like 0.0192 0.3064 0.407
Onchocerca volvulus 0.0058 0.0834 0.2432
Brugia malayi F/Y-rich N-terminus family protein 0.0018 0.0158 0.0172
Loa Loa (eye worm) histone methyltransferase 0.0018 0.0162 0.0177
Trypanosoma cruzi polo-like protein kinase, putative 0.0192 0.3065 1
Brugia malayi hypothetical protein 0.0073 0.1081 0.141
Echinococcus multilocularis Kelch repeat type 1 0.0193 0.3073 0.4082
Echinococcus granulosus Transcription factor JmjC domain containing protein 0.0057 0.0808 0.1045
Schistosoma mansoni survival motor neuron protein 0.0093 0.1415 0.4157
Brugia malayi beta-lactamase 0.0043 0.0586 0.0746
Schistosoma mansoni cpg binding protein 0.0062 0.089 0.2614
Mycobacterium tuberculosis Possible conserved lipoprotein LpqK 0.0043 0.0586 0.0473
Schistosoma mansoni ferritin 0.0017 0.0148 0.0434
Trichomonas vaginalis beta lactamase domain, putative 0.0015 0.0118 0.0124
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0055 0.0782 0.2297
Echinococcus granulosus GA binding protein alpha chain 0.007 0.1028 0.1339
Brugia malayi CXXC zinc finger family protein 0.0058 0.0834 0.108
Schistosoma mansoni ubiquitously transcribed sex (X/Y) chromosome tetratricopeptide repeat protein-related 0.0015 0.0113 0.0332
Schistosoma mansoni gabp alpha 0.007 0.1028 0.3019
Schistosoma mansoni hypothetical protein 0.001 0.003 0.0087
Loa Loa (eye worm) hypothetical protein 0.0043 0.0586 0.0746
Echinococcus granulosus cadherin EGF LAG seven pass G type receptor 0.0019 0.0178 0.0199
Mycobacterium tuberculosis Probable conserved lipoprotein 0.0043 0.0586 0.0473
Schistosoma mansoni serine/threonine protein kinase 0.0192 0.3065 0.9001
Trypanosoma cruzi ubiquitin carboxyl-terminal hydrolase, putative 0.0075 0.1115 0.3394
Trypanosoma cruzi hypothetical protein, conserved 0.0024 0.0255 0.048
Trypanosoma cruzi UEV domain/Zinc finger, C3HC4 type (RING finger), putative 0.0024 0.0255 0.048
Schistosoma mansoni mixed-lineage leukemia protein mll 0.0015 0.0102 0.03
Trichomonas vaginalis conserved hypothetical protein 0.0024 0.0255 0.0583
Entamoeba histolytica hypothetical protein 0.0024 0.0255 0.0464
Trypanosoma brucei ubiquitin carboxyl-terminal hydrolase, putative 0.0075 0.1115 0.3394
Echinococcus granulosus lysine specific demethylase 6a 0.0015 0.0113 0.0112
Echinococcus granulosus beta LACTamase domain containing family member 0.0043 0.0586 0.0746
Mycobacterium tuberculosis Bacterioferritin BfrB 0.0017 0.0148 0.003
Toxoplasma gondii ABC1 family protein 0.0043 0.0586 0.2968
Echinococcus multilocularis GPCR, family 2 0.0019 0.0178 0.0199
Trypanosoma cruzi metallo-beta-lactamase-like protein, putative 0.0015 0.0118 0.0017
Trichomonas vaginalis CAMK family protein kinase 0.0192 0.3065 1
Mycobacterium leprae conserved hypothetical protein 0.0043 0.0586 0.0473
Entamoeba histolytica ubiquitin carboxyl-terminal hydrolase domain containing protein 0.0075 0.1115 0.3383
Brugia malayi latrophilin 2 splice variant baaae 0.0041 0.0547 0.0694
Trichomonas vaginalis apoptosis inducing factor, putative 0.0015 0.0118 0.0124
Echinococcus granulosus histone lysine N methyltransferase MLL3 0.0018 0.0162 0.0177
Brugia malayi hypothetical protein 0.0457 0.7485 1
Trichomonas vaginalis D-aminoacylase, putative 0.0043 0.0586 0.1692
Brugia malayi Ets-domain containing protein 0.007 0.1028 0.1339
Mycobacterium tuberculosis Probable esterase LipL 0.0043 0.0586 0.0473
Plasmodium falciparum ataxin-2 like protein, putative 0.003 0.0368 1
Echinococcus multilocularis JmjC domain containing protein 4 0.0015 0.0113 0.0112
Trypanosoma cruzi UEV domain/Zinc finger, C3HC4 type (RING finger), putative 0.0024 0.0255 0.048
Loa Loa (eye worm) hypothetical protein 0.0015 0.0118 0.0119
Schistosoma mansoni ubiquitin-specific peptidase 2 (C19 family) 0.0075 0.1115 0.3274
Trypanosoma cruzi UEV domain/Zinc finger, C3HC4 type (RING finger), putative 0.0024 0.0255 0.048
Trypanosoma brucei hydroxyacylglutathione hydrolase, putative 0.0015 0.0118 0.0017
Mycobacterium tuberculosis Probable conserved lipoprotein LpqF 0.0191 0.3048 0.2965
Echinococcus granulosus ferritin 0.0017 0.0148 0.0159
Loa Loa (eye worm) D-ets-4 DNA binding domain-containing protein 0.007 0.1028 0.1339
Trichomonas vaginalis penicillin-binding protein, putative 0.0043 0.0586 0.1692
Brugia malayi Calcitonin receptor-like protein seb-1 0.006 0.0865 0.112
Echinococcus multilocularis beta LACTamase domain containing family member 0.0043 0.0586 0.0746
Echinococcus multilocularis muscleblind protein 0.0304 0.4928 0.657
Echinococcus multilocularis jumonji domain containing 1A 0.0015 0.0113 0.0112
Brugia malayi metallo-beta-lactamase superfamily protein 0.0015 0.0118 0.0119
Trypanosoma cruzi UEV domain/Zinc finger, C3HC4 type (RING finger), putative 0.0024 0.0255 0.048
Mycobacterium ulcerans bacterioferritin BfrB 0.0017 0.0148 0.003
Trypanosoma cruzi UEV domain/Zinc finger, C3HC4 type (RING finger), putative 0.0024 0.0255 0.048
Brugia malayi beta-lactamase family protein 0.0043 0.0586 0.0746
Loa Loa (eye worm) MH2 domain-containing protein 0.0115 0.1785 0.2355
Toxoplasma gondii LsmAD domain-containing protein 0.003 0.0368 0.1602
Trichomonas vaginalis beta lactamase domain, putative 0.0015 0.0118 0.0124
Loa Loa (eye worm) fli-1 protein 0.0212 0.3405 0.4527
Echinococcus multilocularis tumor susceptibility gene 101 protein 0.0141 0.2219 0.2937
Mycobacterium tuberculosis Probable lipase LipD 0.0043 0.0586 0.0473
Trypanosoma cruzi glyoxalase II 0.0015 0.0118 0.0017
Trypanosoma cruzi hypothetical protein, conserved 0.0043 0.0586 0.1602
Leishmania major metallo-beta-lactamase family protein-like protein 0.0015 0.0118 0.0017
Loa Loa (eye worm) jmjC domain-containing protein 0.0015 0.0113 0.0112
Schistosoma mansoni hypothetical protein 0.0019 0.0178 0.0523
Echinococcus multilocularis GA binding protein alpha chain 0.007 0.1028 0.1339
Brugia malayi jmjC domain containing protein 0.0015 0.0113 0.0112
Trichomonas vaginalis hypothetical protein 0.0069 0.1009 0.3111
Trichomonas vaginalis disulfide oxidoreductase, putative 0.0015 0.0118 0.0124
Mycobacterium tuberculosis UDP-galactopyranose mutase Glf (UDP-GALP mutase) (NAD+-flavin adenine dinucleotide-requiring enzyme) 0.0608 1 1
Giardia lamblia Ubiquitin carboxyl-terminal hydrolase 4 0.0075 0.1115 0.3383
Entamoeba histolytica hypothetical protein 0.0073 0.1081 0.3267
Trichomonas vaginalis CAMK family protein kinase 0.0192 0.3065 1
Schistosoma mansoni ferritin 0.0017 0.0148 0.0434
Mycobacterium ulcerans fusion of enoyl-CoA hydratase, EchA21 and lipase, LipE 0.0043 0.0586 0.0473
Loa Loa (eye worm) GTP-binding regulatory protein Gs alpha-S chain 0.0055 0.0782 0.1009
Trypanosoma brucei UEV domain/Zinc finger, C3HC4 type (RING finger), putative 0.0024 0.0255 0.048
Plasmodium vivax ataxin-2 like protein, putative 0.003 0.0368 0.5397
Schistosoma mansoni jumonji domain containing protein 0.0057 0.0808 0.2374
Trypanosoma brucei PAB1-binding protein , putative 0.003 0.0368 0.0864
Brugia malayi Ubiquitin carboxyl-terminal hydrolase family protein 0.0075 0.1115 0.1456
Echinococcus granulosus Ataxin 2 N terminaldomain containing protein 0.0014 0.0088 0.0078
Leishmania major hypothetical protein, conserved 0.0045 0.0615 0.1699
Leishmania major hypothetical protein, conserved 0.003 0.0368 0.0864
Trypanosoma cruzi UEV domain/Zinc finger, C3HC4 type (RING finger), putative 0.0024 0.0255 0.048
Plasmodium falciparum ataxin-2 like protein, putative 0.003 0.0368 1
Loa Loa (eye worm) hypothetical protein 0.0304 0.4928 0.657
Loa Loa (eye worm) hydroxyacylglutathione hydrolase 0.0015 0.0118 0.0119
Schistosoma mansoni hypothetical protein 0.0041 0.0547 0.1607
Trichomonas vaginalis CAMK family protein kinase 0.0192 0.3065 1
Loa Loa (eye worm) hypothetical protein 0.0304 0.4928 0.657
Mycobacterium tuberculosis Possible penicillin-binding protein 0.0278 0.4496 0.443
Trichomonas vaginalis beta lactamase domain, putative 0.0015 0.0118 0.0124
Mycobacterium leprae PROBABLE BACTERIOFERRITIN BFRA 0.0017 0.0148 0.003
Echinococcus multilocularis Peptidase C19, ubiquitin carboxyl terminal hydrolase 2 0.0075 0.1115 0.1456
Schistosoma mansoni tsg101-related 0.0118 0.1825 0.5359
Schistosoma mansoni hydroxyacylglutathione hydrolase (Glyoxalase II) (Glx II) 0.0015 0.0118 0.0347
Loa Loa (eye worm) jmjC domain-containing protein 0.006 0.0864 0.1119
Loa Loa (eye worm) hypothetical protein 0.0141 0.2219 0.2937
Leishmania major cleavage and polyadenylation specificity factor, putative 0.0015 0.0118 0.0017
Entamoeba histolytica hypothetical protein 0.0073 0.1081 0.3267
Trichomonas vaginalis conserved hypothetical protein 0.0015 0.0118 0.0124
Trichomonas vaginalis Clan CA, family C19, ubiquitin hydrolase-like cysteine peptidase 0.0075 0.1115 0.3465
Schistosoma mansoni elf1 0.001 0.003 0.0087
Onchocerca volvulus 0.0043 0.0586 0.1588
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.006 0.0865 0.112
Trypanosoma cruzi ubiquitin carboxyl-terminal hydrolase, putative 0.0075 0.1115 0.3394
Loa Loa (eye worm) hypothetical protein 0.0041 0.0547 0.0694
Echinococcus multilocularis cpg binding protein 0.0062 0.089 0.1154
Echinococcus granulosus survival motor neuron protein 1 0.0457 0.7485 1
Wolbachia endosymbiont of Brugia malayi bacterioferritin/cytochrome b1 0.0017 0.0148 1
Brugia malayi Ets-domain containing protein 0.007 0.1028 0.1339
Schistosoma mansoni hypothetical protein 0.0181 0.2877 0.8449
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0055 0.0782 0.2297
Echinococcus granulosus mixed lineage leukemia protein mll 0.0015 0.0102 0.0097
Schistosoma mansoni ferritin 0.0017 0.0148 0.0434
Trypanosoma cruzi hypothetical protein, conserved 0.0024 0.0255 0.048
Schistosoma mansoni zinc phosphodiesterase 0.0015 0.0118 0.0347
Echinococcus multilocularis muscleblind protein 1 0.0304 0.4928 0.657
Entamoeba histolytica hypothetical protein 0.0024 0.0255 0.0464
Loa Loa (eye worm) metallo-beta-lactamase superfamily protein 0.0015 0.0118 0.0119
Loa Loa (eye worm) jmjC domain-containing protein 0.0015 0.0113 0.0112
Loa Loa (eye worm) CXXC zinc finger family protein 0.0058 0.0834 0.108
Echinococcus multilocularis ubiquitin specific protease 41 0.0075 0.1115 0.1456
Trichomonas vaginalis conserved hypothetical protein 0.0015 0.0118 0.0124
Trichomonas vaginalis CAMK family protein kinase 0.0192 0.3065 1
Mycobacterium ulcerans bacterioferritin BfrA 0.0017 0.0148 0.003
Loa Loa (eye worm) hypothetical protein 0.0075 0.1115 0.1456
Trypanosoma cruzi hypothetical protein, conserved 0.0043 0.0586 0.1602
Onchocerca volvulus Huntingtin homolog 0.0118 0.1835 0.5828
Schistosoma mansoni ferritin 0.0017 0.0148 0.0434
Schistosoma mansoni transcription factor LCR-F1 0.0073 0.1081 0.3174
Loa Loa (eye worm) hypothetical protein 0.0043 0.0586 0.0746
Echinococcus multilocularis metallo beta lactamase domain containing protein 0.0015 0.0118 0.0119
Loa Loa (eye worm) beta-lactamase 0.0043 0.0586 0.0746
Echinococcus granulosus ubiquitin specific protease 41 0.0075 0.1115 0.1456
Brugia malayi hypothetical protein 0.0118 0.1835 0.2422
Schistosoma mansoni hypothetical protein 0.0073 0.1081 0.3174
Mycobacterium tuberculosis Conserved protein 0.0043 0.0586 0.0473
Trypanosoma cruzi glyoxalase II 0.0015 0.0118 0.0017
Brugia malayi hypothetical protein 0.0141 0.2219 0.2937
Trichomonas vaginalis conserved hypothetical protein 0.0024 0.0255 0.0583
Trypanosoma brucei cleavage and polyadenylation specificity factor subunit, putative 0.0015 0.0118 0.0017
Schistosoma mansoni hypothetical protein 0.0014 0.0088 0.0259
Echinococcus granulosus histone lysine N methyltransferase MLL3 0.0015 0.0102 0.0097
Mycobacterium leprae PROBABLE CONSERVED LIPOPROTEIN LPQF 0.0191 0.3048 0.2965
Schistosoma mansoni hypothetical protein 0.0019 0.0178 0.0523
Trichomonas vaginalis CAMK family protein kinase 0.0095 0.1446 0.4577
Loa Loa (eye worm) hypothetical protein 0.0043 0.0586 0.0746
Brugia malayi jmjC domain containing protein 0.0015 0.0113 0.0112
Chlamydia trachomatis ribonuclease Z 0.0015 0.0118 0.5
Mycobacterium ulcerans class a beta-lactamase, BlaC 0.0398 0.6501 0.646
Mycobacterium tuberculosis Probable hydrolase 0.0043 0.0586 0.0473
Trypanosoma cruzi metallo-beta-lactamase superfamily, putative 0.0015 0.0118 0.0017
Brugia malayi jmjC domain containing protein 0.0015 0.0113 0.0112
Schistosoma mansoni kinase 0.0098 0.1489 0.4373
Schistosoma mansoni family S12 unassigned peptidase (S12 family) 0.0043 0.0586 0.1721
Entamoeba histolytica tumor susceptibility gene 101 protein, putative 0.0096 0.1465 0.4571
Mycobacterium tuberculosis Conserved protein 0.0043 0.0586 0.0473
Giardia lamblia Kinase, PLK 0.0192 0.3065 1
Schistosoma mansoni hypothetical protein 0.0015 0.0118 0.0347
Echinococcus granulosus serine:threonine protein kinase PLK1 0.0192 0.3065 0.4071
Echinococcus multilocularis serine:threonine protein kinase PLK1 0.0192 0.3065 0.4071
Echinococcus granulosus jumonji domain containing 1A 0.0015 0.0113 0.0112
Trypanosoma cruzi UEV domain/Zinc finger, C3HC4 type (RING finger), putative 0.0024 0.0255 0.048
Echinococcus granulosus Peptidase C19 ubiquitin carboxyl terminal hydrolase 2 0.0075 0.1115 0.1456
Mycobacterium tuberculosis Class a beta-lactamase BlaC 0.0398 0.6501 0.646
Schistosoma mansoni hypothetical protein 0.0019 0.0178 0.0523
Loa Loa (eye worm) hypothetical protein 0.0118 0.1835 0.2422
Entamoeba histolytica hypothetical protein 0.0073 0.1081 0.3267
Loa Loa (eye worm) latrophilin receptor protein 2 0.0019 0.0178 0.0199
Echinococcus multilocularis metallo beta lactamase domain containing protein 0.0015 0.0118 0.0119
Leishmania major hypothetical protein, conserved 0.0043 0.0586 0.1602
Loa Loa (eye worm) hydroxyacylglutathione hydrolase cytoplasmic 0.0015 0.0118 0.0119
Schistosoma mansoni hypothetical protein 0.001 0.003 0.0087
Echinococcus granulosus ubiquitin carboxyl terminal hydrolase 8 0.0075 0.1115 0.1456
Trichomonas vaginalis penicillin-binding protein, putative 0.0043 0.0586 0.1692
Trichomonas vaginalis conserved hypothetical protein 0.0015 0.0118 0.0124
Trypanosoma cruzi metallo-beta-lactamase superfamily, putative 0.0015 0.0118 0.0017
Brugia malayi hypothetical protein 0.0146 0.2296 0.3041
Echinococcus granulosus metallo beta lactamase domain containing protein 0.0015 0.0118 0.0119
Echinococcus granulosus Jumonji AT rich interactive domain 1B 0.0018 0.0169 0.0187
Schistosoma mansoni ets-related 0.0212 0.3405 1
Trichomonas vaginalis CAMK family protein kinase 0.0192 0.3065 1
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0055 0.0782 0.1009
Echinococcus multilocularis ubiquitin carboxyl terminal hydrolase 8 0.0075 0.1115 0.1456
Plasmodium vivax unspecified product 0.0015 0.0118 0.0103
Leishmania major protein kinase, putative,polo-like protein kinase, putative 0.0192 0.3065 1
Loa Loa (eye worm) hypothetical protein 0.006 0.0865 0.112
Plasmodium falciparum cytosolic glyoxalase II 0.0015 0.0118 0.0191
Echinococcus granulosus kelch ECH associated protein 1 like 0.0192 0.3064 0.407
Trypanosoma cruzi PAB1-binding protein , putative 0.003 0.0368 0.0864
Loa Loa (eye worm) hypothetical protein 0.0457 0.7485 1
Brugia malayi GTP-binding regulatory protein Gs alpha-S chain, putative 0.0055 0.0782 0.1009
Schistosoma mansoni protein phosphatase 2C 0.0015 0.0113 0.0332
Brugia malayi hypothetical protein 0.003 0.0368 0.0454
Echinococcus multilocularis expressed protein 0.0017 0.0148 0.0159
Echinococcus multilocularis ferritin 0.0017 0.0148 0.0159
Echinococcus multilocularis histone lysine N methyltransferase MLL3 0.0018 0.0162 0.0177
Treponema pallidum bacterioferrin (TpF1) 0.0017 0.0148 1
Schistosoma mansoni zinc phosphodiesterase 0.0015 0.0118 0.0347
Echinococcus granulosus diuretic hormone 44 receptor GPRdih2 0.0019 0.0178 0.0199
Mycobacterium ulcerans hypothetical protein 0.0043 0.0586 0.0473
Toxoplasma gondii metallo-beta-lactamase domain-containing protein 0.0015 0.0118 0.0031
Leishmania major hypothetical protein, conserved 0.0015 0.0118 0.0017
Trichomonas vaginalis beta lactamase domain, putative 0.0015 0.0118 0.0124
Trichomonas vaginalis CAMK family protein kinase 0.0192 0.3065 1
Schistosoma mansoni mixed-lineage leukemia protein mll 0.0124 0.1927 0.5659
Echinococcus multilocularis lysine specific demethylase 5A 0.0057 0.0808 0.1045
Brugia malayi metallo-beta-lactamase superfamily protein 0.0015 0.0118 0.0119
Brugia malayi Iron-sulfur cluster assembly accessory protein 0.0093 0.1415 0.1859
Mycobacterium tuberculosis Conserved protein 0.0043 0.0586 0.0473
Brugia malayi Chain A, Human Glyoxalase Ii With Cacodylate And Acetate Ions Present In The Active Site. 0.0015 0.0118 0.0119
Loa Loa (eye worm) hypothetical protein 0.0043 0.0586 0.0746
Echinococcus multilocularis hydroxyacylglutathione hydrolase 0.0015 0.0118 0.0119
Trypanosoma cruzi metallo-beta-lactamase-like protein, putative 0.0015 0.0118 0.0017
Brugia malayi hypothetical protein 0.002 0.0188 0.0213
Echinococcus multilocularis diuretic hormone 44 receptor GPRdih2 0.0019 0.0178 0.0199
Loa Loa (eye worm) hypothetical protein 0.0015 0.0113 0.0112
Leishmania major metallo-beta-lactamase family-like protein 0.0015 0.0118 0.0017
Brugia malayi Latrophilin receptor protein 2 0.0019 0.0178 0.0199
Schistosoma mansoni polyomavirus enhancer activator 3 pea3 0.001 0.003 0.0087
Mycobacterium tuberculosis Probable bacterioferritin BfrA 0.0017 0.0148 0.003
Loa Loa (eye worm) jmjC domain-containing protein 0.0015 0.0113 0.0112
Brugia malayi Muscleblind-like protein 0.0304 0.4928 0.657
Echinococcus multilocularis geminin 0.0181 0.2877 0.3819
Schistosoma mansoni jumonji/arid domain-containing protein 0.006 0.0864 0.2538
Trypanosoma cruzi UEV domain/Zinc finger, C3HC4 type (RING finger), putative 0.0024 0.0255 0.048
Schistosoma mansoni cpg binding protein 0.0062 0.089 0.2614
Echinococcus multilocularis Ataxin 2, N terminal,domain containing protein 0.0014 0.0088 0.0078
Loa Loa (eye worm) hypothetical protein 0.0015 0.0113 0.0112
Trypanosoma cruzi polo-like protein kinase, putative 0.0192 0.3065 1
Schistosoma mansoni hypothetical protein 0.0015 0.0118 0.0347
Leishmania major ubiquitin hydrolase, putative,cysteine peptidase, Clan CA, family C19, putative 0.0075 0.1115 0.3394
Brugia malayi ethe1-prov protein 0.0015 0.0118 0.0119
Brugia malayi MH2 domain containing protein 0.0115 0.1785 0.2355
Loa Loa (eye worm) hypothetical protein 0.0118 0.1835 0.2422
Trypanosoma brucei beta lactamase 0.0191 0.3048 0.9944
Echinococcus multilocularis Jumonji, AT rich interactive domain 1B 0.0018 0.0169 0.0187
Echinococcus granulosus phd:f box containing protein 0.0015 0.0113 0.0112
Echinococcus granulosus expressed protein 0.0017 0.0148 0.0159
Echinococcus granulosus JmjC domain containing protein 4 0.0015 0.0113 0.0112
Trichomonas vaginalis CAMK family protein kinase 0.0095 0.1446 0.4577
Brugia malayi Fli-1 protein 0.0212 0.3405 0.4527
Loa Loa (eye worm) hypothetical protein 0.0043 0.0586 0.0746
Schistosoma mansoni hypothetical protein 0.0015 0.0118 0.0347
Echinococcus multilocularis Transcription factor, JmjC domain containing protein 0.0057 0.0808 0.1045
Trichomonas vaginalis conserved hypothetical protein 0.0015 0.0118 0.0124
Trichomonas vaginalis D-aminoacylase, putative 0.0043 0.0586 0.1692
Onchocerca volvulus 0.0093 0.1415 0.4403
Trichomonas vaginalis ferritin, putative 0.0017 0.0148 0.0224
Trichomonas vaginalis conserved hypothetical protein 0.0015 0.0118 0.0124
Schistosoma mansoni hypothetical protein 0.0093 0.1415 0.4157
Loa Loa (eye worm) hypothetical protein 0.0019 0.0178 0.0199
Schistosoma mansoni tsg101-related 0.0118 0.1825 0.5359
Trichomonas vaginalis D-aminoacylase, putative 0.0043 0.0586 0.1692
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0055 0.0782 0.1009
Schistosoma mansoni ubiquitin-specific peptidase 8 (C19 family) 0.0075 0.1115 0.3274
Echinococcus multilocularis phd:f box containing protein 0.0015 0.0113 0.0112
Echinococcus multilocularis ETHE1 protein 0.0015 0.0118 0.0119
Entamoeba histolytica hypothetical protein 0.0073 0.1081 0.3267
Trichomonas vaginalis CAMK family protein kinase 0.0192 0.3065 1
Mycobacterium tuberculosis Probable lipase LipE 0.0043 0.0586 0.0473
Schistosoma mansoni hypothetical protein 0.0019 0.0178 0.0523
Mycobacterium leprae Probable lipase LipE 0.0043 0.0586 0.0473
Trypanosoma cruzi UEV domain/Zinc finger, C3HC4 type (RING finger), putative 0.0024 0.0255 0.048
Onchocerca volvulus 0.0043 0.0586 0.1588
Echinococcus granulosus tumor susceptibility gene 101 protein 0.0141 0.2219 0.2937
Trypanosoma cruzi UEV domain/Zinc finger, C3HC4 type (RING finger), putative 0.0024 0.0255 0.048
Brugia malayi jmjC domain containing protein 0.0015 0.0113 0.0112
Echinococcus granulosus metallo beta lactamase domain containing protein 0.0015 0.0118 0.0119
Loa Loa (eye worm) hypothetical protein 0.003 0.0368 0.0454
Echinococcus multilocularis Basic leucine zipper (bZIP) transcription 0.0073 0.1081 0.141
Leishmania major hydroxyacylglutathione hydrolase, putative,glyoxalase II, putative 0.0015 0.0118 0.0017
Trypanosoma brucei Vps23 core domain containing protein, putative 0.0045 0.0615 0.1699
Brugia malayi serine/threonine-protein kinase plk-2 0.0192 0.3065 0.4071
Schistosoma mansoni family S12 unassigned peptidase (S12 family) 0.0043 0.0586 0.1721
Echinococcus multilocularis histone lysine N methyltransferase MLL3 0.0015 0.0102 0.0097
Loa Loa (eye worm) hypothetical protein 0.0015 0.0118 0.0119
Echinococcus multilocularis kelch ECH associated protein 1 0.0192 0.3064 0.407
Echinococcus granulosus ETHE1 protein 0.0015 0.0118 0.0119
Schistosoma mansoni jumonji domain containing protein 0.0015 0.0113 0.0332
Trypanosoma brucei polo-like protein kinase 0.0192 0.3065 1
Onchocerca volvulus 0.0043 0.0586 0.1588
Trichomonas vaginalis Clan CA, family C19, ubiquitin hydrolase-like cysteine peptidase 0.0075 0.1115 0.3465
Brugia malayi hypothetical protein 0.0015 0.0118 0.0119
Entamoeba histolytica hypothetical protein 0.0024 0.0255 0.0464
Brugia malayi beta-lactamase family protein 0.0043 0.0586 0.0746
Echinococcus granulosus GPCR family 2 0.0019 0.0178 0.0199
Echinococcus granulosus hydroxyacylglutathione hydrolase 0.0015 0.0118 0.0119
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0055 0.0782 0.1009
Trichomonas vaginalis esterase, putative 0.0043 0.0586 0.1692
Echinococcus multilocularis lysine specific demethylase 6a 0.0015 0.0113 0.0112
Loa Loa (eye worm) pigment dispersing factor receptor c 0.006 0.0865 0.112
Trypanosoma cruzi PAB1-binding protein , putative 0.003 0.0368 0.0864
Schistosoma mansoni hypothetical protein 0.0193 0.3073 0.9026
Loa Loa (eye worm) hypothetical protein 0.0015 0.0118 0.0119
Loa Loa (eye worm) hypothetical protein 0.0015 0.0118 0.0119
Echinococcus granulosus cpg binding protein 0.0062 0.089 0.1154
Brugia malayi calcium-independent alpha-latrotoxin receptor 2, putative 0.0019 0.0178 0.0199
Echinococcus granulosus zinc phosphodiesterase 0.0015 0.0118 0.0119
Schistosoma mansoni apoferritin-2 0.0017 0.0148 0.0434
Schistosoma mansoni ferritin light chain 0.0017 0.0148 0.0434
Mycobacterium ulcerans UDP-galactopyranose mutase Glf 0.0608 1 1
Brugia malayi jmjC domain containing protein 0.0057 0.0808 0.1045
Loa Loa (eye worm) hypothetical protein 0.0015 0.0113 0.0112
Trypanosoma cruzi glyoxalase II 0.0015 0.0118 0.0017
Entamoeba histolytica hypothetical protein 0.0024 0.0255 0.0464
Trypanosoma brucei metallo-beta-lactamase-like protein, putative 0.0015 0.0118 0.0017
Schistosoma mansoni phosphatidylserine receptor 0.0015 0.0113 0.0332
Loa Loa (eye worm) hypothetical protein 0.0146 0.2296 0.3041

Activities

Activity type Activity value Assay description Source Reference
Potency (functional) = 0.631 um PUBCHEM_BIOASSAY: qHTS Inhibitors of AmpC Beta-Lactamase (assay with detergent). (Class of assay: confirmatory) [Related pubchem assays: 1002 (Confirmation Concentration-Response Assay for Inhibitors of AmpC Beta-Lactamase (assay with detergent)), 585 (Promiscuous and Specific Inhibitors of AmpC Beta-Lactamase (assay without detergent) - a screen old NIH MLSMR collection), 584 (Promiscuous and Specific Inhibitors of AmpC Beta-Lactamase (assay with detergent) - a screen of the old NIH MLSMR collection), 1003 (Confirmation Cuvette-Based Assay for Inhibitors of AmpC Beta-Lactamase (assay with detergent))] ChEMBL. No reference
Potency (functional) 5.6234 uM PubChem BioAssay. qHTS for Inhibitors of ATXN expression. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 11.2202 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
Potency (functional) 13.1154 uM PUBCHEM_BIOASSAY: Primary qHTS for delayed death inhibitors of the malarial parasite plastid, 96 hour incubation. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID488745, AID488752, AID488774, AID504848, AID504850] ChEMBL. No reference
Potency (functional) 19.9526 uM PubChem BioAssay. qHTS of GLP-1 Receptor Inverse Agonists (Inhibition Mode). (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 22.3872 uM PUBCHEM_BIOASSAY: qHTS for Inhibitors of Polymerase Iota. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID588623] ChEMBL. No reference
Potency (functional) 89.1251 uM PubChem BioAssay. qHTS Assay to Find Inhibitors of Pin1. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 100 uM PUBCHEM_BIOASSAY: HTS for Inhibitors of HP1-beta Chromodomain Interactions with Methylated Histone Tails. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID488962] 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.
 
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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