Detailed information for compound 683311

Basic information

Technical information
  • TDR Targets ID: 683311
  • Name: methyl 3-[(3-chloro-4-methylphenyl)sulfamoyl] -4-phenylthiophene-2-carboxylate
  • MW: 421.918 | Formula: C19H16ClNO4S2
  • H donors: 1 H acceptors: 3 LogP: 4.93 Rotable bonds: 6
    Rule of 5 violations (Lipinski): 1
  • SMILES: COC(=O)c1scc(c1S(=O)(=O)Nc1ccc(c(c1)Cl)C)c1ccccc1
  • InChi: 1S/C19H16ClNO4S2/c1-12-8-9-14(10-16(12)20)21-27(23,24)18-15(13-6-4-3-5-7-13)11-26-17(18)19(22)25-2/h3-11,21H,1-2H3
  • InChiKey: ZRKCTFVZGHHAHC-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

  • methyl 3-[(3-chloro-4-methyl-phenyl)sulfamoyl]-4-phenyl-thiophene-2-carboxylate
  • 3-[(3-chloro-4-methylphenyl)sulfamoyl]-4-phenyl-2-thiophenecarboxylic acid methyl ester
  • 3-[(3-chloro-4-methyl-phenyl)sulfamoyl]-4-phenyl-thiophene-2-carboxylic acid methyl ester
  • G225-0181
  • NCGC00129592-01

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Homo sapiens ataxin 2 Starlite/ChEMBL No references
Equus caballus Ferritin light chain Starlite/ChEMBL No references
Homo sapiens glucagon-like peptide 1 receptor Starlite/ChEMBL No references
Escherichia coli penicillin-binding protein Starlite/ChEMBL No references

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Mycobacterium tuberculosis Possible penicillin-binding protein Get druggable targets OG5_149948 All targets in OG5_149948
By sequence similarity to non orthologous known druggable targets
Species Potential target Known druggable target Length Alignment span Identity
Echinococcus granulosus expressed protein Ferritin light chain   175 aa 146 aa 28.8 %
Loa Loa (eye worm) pigment dispersing factor receptor c glucagon-like peptide 1 receptor 463 aa 388 aa 25.8 %
Schistosoma mansoni apoferritin-2 Ferritin light chain   175 aa 146 aa 28.8 %
Schistosoma mansoni apoferritin-2 Ferritin light chain   175 aa 142 aa 29.6 %
Echinococcus multilocularis expressed protein Ferritin light chain   175 aa 146 aa 30.1 %
Schistosoma mansoni ferritin Ferritin light chain   175 aa 171 aa 44.4 %
Schistosoma japonicum Ferritin, putative Ferritin light chain   175 aa 144 aa 24.3 %
Schistosoma mansoni ferritin Ferritin light chain   175 aa 171 aa 43.9 %
Obtained from network model

Ranking Plot

Putative Targets List

Species Potential target Raw Global Species
Mycobacterium ulcerans lipase LipD 0.0043 0.032 0.1261
Plasmodium vivax dihydrolipoyl dehydrogenase, apicoplast, putative 0.0033 0.0189 0.0185
Loa Loa (eye worm) hypothetical protein 0.0022 0.0033 0.0075
Trypanosoma cruzi dihydrolipoamide dehydrogenase, putative 0.0033 0.0189 0.0676
Trypanosoma cruzi importin beta-1 subunit, putative 0.0027 0.0098 0.0271
Loa Loa (eye worm) hypothetical protein 0.0094 0.0981 0.2268
Trypanosoma brucei polo-like protein kinase 0.0107 0.1154 0.4981
Echinococcus granulosus SUMO activating enzyme subunit 1 0.0055 0.0467 0.0467
Trypanosoma brucei dihydrolipoamide dehydrogenase 0.0033 0.0189 0.0676
Trypanosoma brucei importin beta-1 subunit, putative 0.0033 0.0179 0.0632
Loa Loa (eye worm) PAN domain-containing protein 0.0022 0.0033 0.0075
Mycobacterium ulcerans hypothetical protein 0.0043 0.032 0.1261
Loa Loa (eye worm) PLK/PLK1 protein kinase 0.0107 0.1154 0.2669
Trypanosoma brucei trypanothione reductase 0.0097 0.1015 0.4362
Echinococcus granulosus phosphoglycerate kinase 1 0.0193 0.2278 0.2278
Brugia malayi PAN domain containing protein 0.0022 0.0033 0.0115
Mycobacterium tuberculosis Probable NADH dehydrogenase Ndh 0.022 0.2634 0.775
Brugia malayi Hypothetical 52.5 kDa protein ZK945.1 in chromosome II, putative 0.0043 0.032 0.1126
Plasmodium falciparum importin beta, putative 0.0033 0.0179 0.0139
Brugia malayi beta-lactamase family protein 0.0043 0.032 0.1126
Schistosoma mansoni phosphoglycerate kinase 0.0193 0.2278 0.2278
Mycobacterium tuberculosis Conserved protein 0.0043 0.032 0.0844
Loa Loa (eye worm) hypothetical protein 0.0022 0.0033 0.0075
Plasmodium falciparum thioredoxin reductase 0.0033 0.0189 0.0185
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0054 0.0453 0.0453
Trypanosoma cruzi dihydrolipoamide dehydrogenase, putative 0.0033 0.0189 0.0676
Plasmodium falciparum SUMO-activating enzyme subunit 1 0.0055 0.0467 0.1491
Echinococcus granulosus thioredoxin glutathione reductase 0.0097 0.1022 0.1022
Schistosoma mansoni DNA polymerase eta 0.0051 0.0416 0.0416
Trypanosoma cruzi PAS-domain containing phosphoglycerate kinase, putative 0.0071 0.0678 0.2861
Brugia malayi Apoptosis regulator proteins, Bcl-2 family protein 0.0094 0.0981 0.345
Wolbachia endosymbiont of Brugia malayi phosphoglycerate kinase 0.0193 0.2278 1
Brugia malayi ThiF family protein 0.0036 0.0222 0.078
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0034 0.0194 0.0194
Echinococcus granulosus sumo-activating enzyme subunit 2 0.0036 0.0222 0.0222
Leishmania major phosphoglycerate kinase B, cytosolic 0.0193 0.2278 1
Echinococcus multilocularis phosphoglycerate kinase 1 0.0193 0.2278 0.2278
Schistosoma mansoni bcl-2 homologous antagonist/killer (bak) 0.0094 0.0981 0.0981
Trichomonas vaginalis CAMK family protein kinase 0.0107 0.1154 0.3454
Schistosoma mansoni family S12 unassigned peptidase (S12 family) 0.0043 0.032 0.032
Schistosoma mansoni family S12 unassigned peptidase (S12 family) 0.0043 0.032 0.032
Trypanosoma cruzi 3-phosphoglycerate kinase, glycosomal 0.0071 0.0678 0.2861
Echinococcus multilocularis EGFP:Bcl2 fusion protein 0.0094 0.0981 0.0981
Brugia malayi latrophilin 2 splice variant baaae 0.0041 0.0289 0.1019
Echinococcus multilocularis terminal deoxycytidyl transferase rev1 0.0022 0.0037 0.0037
Giardia lamblia Kinase, PLK 0.0107 0.1154 0.4981
Brugia malayi alpha keto acid dehydrogenase complex, E3 component, lipoamide dehydrogenase 0.0025 0.0072 0.0255
Trichomonas vaginalis set domain proteins, putative 0.0269 0.3269 1
Trypanosoma cruzi dihydrolipoamide dehydrogenase, putative 0.0033 0.0189 0.0676
Leishmania major dihydrolipoamide dehydrogenase, putative 0.0033 0.0189 0.0676
Echinococcus multilocularis histone lysine N methyltransferase SETMAR 0.0034 0.0194 0.0194
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.006 0.0539 0.1896
Brugia malayi Importin beta-1 subunit 0.0033 0.0179 0.0629
Trypanosoma brucei phosphoglycerate kinase 0.0071 0.0678 0.2861
Echinococcus granulosus importin subunit beta 1 0.0033 0.0179 0.0179
Trypanosoma cruzi DNA polymerase eta, putative 0.0036 0.0218 0.0806
Trichomonas vaginalis CAMK family protein kinase 0.0107 0.1154 0.3454
Onchocerca volvulus 0.0269 0.3269 1
Trypanosoma brucei dihydrolipoamide dehydrogenase, point mutation 0.0033 0.0189 0.0676
Brugia malayi Phosphoglycerate kinase 0.0193 0.2278 0.8018
Mycobacterium tuberculosis Probable lipase LipE 0.0043 0.032 0.0844
Plasmodium falciparum SUMO-activating enzyme subunit 2 0.0036 0.0222 0.0341
Trichomonas vaginalis glutathione reductase, putative 0.0033 0.0189 0.0469
Schistosoma mansoni phosphoglycerate kinase 0.0193 0.2278 0.2278
Trypanosoma cruzi phosphoglycerate kinase, putative 0.0193 0.2278 1
Trichomonas vaginalis D-aminoacylase, putative 0.0043 0.032 0.0875
Echinococcus granulosus dna polymerase kappa 0.0022 0.0037 0.0037
Schistosoma mansoni hypothetical protein 0.0041 0.0289 0.0289
Loa Loa (eye worm) hypothetical protein 0.0043 0.032 0.074
Trichomonas vaginalis penicillin-binding protein, putative 0.0043 0.032 0.0875
Loa Loa (eye worm) hypothetical protein 0.0193 0.2278 0.5271
Mycobacterium tuberculosis Conserved protein 0.0043 0.032 0.0844
Entamoeba histolytica serine/threonine protein kinase, putative 0.0107 0.1154 0.4981
Leishmania major importin beta-1 subunit, putative 0.0027 0.0098 0.0271
Loa Loa (eye worm) transcription factor SMAD2 0.014 0.1584 0.3664
Brugia malayi MH2 domain containing protein 0.014 0.1584 0.5573
Schistosoma mansoni sumo-1-activating enzyme E1a 0.0055 0.0467 0.0467
Echinococcus multilocularis dihydrolipoamide dehydrogenase 0.0033 0.0189 0.0189
Echinococcus granulosus 5'partial|histone lysine N methyltransferase SETDB2 0.0033 0.0178 0.0178
Trichomonas vaginalis D-aminoacylase, putative 0.0043 0.032 0.0875
Echinococcus multilocularis histone lysine methyltransferase setb histone lysine methyltransferase eggless 0.0034 0.0194 0.0194
Schistosoma mansoni microtubule-associated protein tau 0.0783 1 1
Brugia malayi PAN domain containing protein 0.0022 0.0033 0.0115
Leishmania major dihydrolipoamide dehydrogenase, putative 0.0033 0.0189 0.0676
Leishmania major hypothetical protein, conserved 0.003 0.0149 0.05
Brugia malayi PAN domain containing protein 0.0022 0.0033 0.0115
Loa Loa (eye worm) hypothetical protein 0.0055 0.0467 0.1079
Loa Loa (eye worm) GTP-binding regulatory protein Gs alpha-S chain 0.0054 0.0453 0.1048
Loa Loa (eye worm) pre-SET domain-containing protein family protein 0.0236 0.2842 0.6574
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0054 0.0453 0.0453
Trypanosoma cruzi polo-like protein kinase, putative 0.0107 0.1154 0.4981
Mycobacterium ulcerans phosphoglycerate kinase 0.0193 0.2278 1
Brugia malayi Pre-SET motif family protein 0.0034 0.0194 0.0682
Brugia malayi PAN domain containing protein 0.0022 0.0033 0.0115
Toxoplasma gondii ImpB/MucB/SamB family protein 0.0036 0.0218 0.0452
Toxoplasma gondii histone lysine methyltransferase SET/SUV39 0.0034 0.0194 0.0394
Entamoeba histolytica hypothetical protein 0.0027 0.0098 0.0271
Mycobacterium tuberculosis Probable dehydrogenase 0.022 0.2634 0.775
Echinococcus granulosus dihydrolipoamide dehydrogenase 0.0033 0.0189 0.0189
Trichomonas vaginalis D-aminoacylase, putative 0.0043 0.032 0.0875
Mycobacterium tuberculosis Conserved protein 0.0043 0.032 0.0844
Mycobacterium tuberculosis Probable nitrite reductase [NAD(P)H] large subunit [FAD flavoprotein] NirB 0.022 0.2634 0.775
Echinococcus multilocularis thioredoxin glutathione reductase 0.0097 0.1022 0.1022
Brugia malayi beta-lactamase family protein 0.0043 0.032 0.1126
Plasmodium falciparum thioredoxin reductase 0.0097 0.1015 0.4065
Brugia malayi Calcitonin receptor-like protein seb-1 0.006 0.0539 0.1896
Trypanosoma cruzi trypanothione reductase, putative 0.0033 0.0189 0.0676
Trypanosoma brucei DNA polymerase eta, putative 0.0051 0.0416 0.1688
Trypanosoma cruzi ubiquitin-activating enzyme, putative 0.0036 0.0222 0.0823
Loa Loa (eye worm) hypothetical protein 0.003 0.0149 0.0345
Mycobacterium tuberculosis Probable lipase LipD 0.0043 0.032 0.0844
Brugia malayi GTP-binding regulatory protein Gs alpha-S chain, putative 0.0054 0.0453 0.1594
Loa Loa (eye worm) nucleolar RNA-associated protein alpha 0.0349 0.4323 1
Brugia malayi ImpB/MucB/SamB family protein 0.0051 0.0416 0.1462
Brugia malayi glutathione reductase 0.0097 0.1015 0.3571
Onchocerca volvulus 0.0043 0.032 0.0888
Mycobacterium ulcerans beta-lactamase 0.0043 0.032 0.1261
Treponema pallidum phosphoglycerate kinase 0.0193 0.2278 1
Schistosoma mansoni kinase 0.0054 0.0464 0.0464
Loa Loa (eye worm) hypothetical protein 0.0022 0.0033 0.0075
Leishmania major DNA polymerase eta, putative 0.0036 0.0218 0.0806
Plasmodium falciparum glutathione reductase 0.0097 0.1015 0.4065
Onchocerca volvulus Serine\/threonine kinase homolog 0.0107 0.1154 0.3464
Trypanosoma cruzi PAB1-binding protein , putative 0.003 0.0149 0.05
Trichomonas vaginalis importin beta-1, putative 0.0027 0.0098 0.0188
Plasmodium vivax ubiquitin activating enzyme, putative 0.0055 0.0467 0.1491
Schistosoma mansoni importin beta-1 0.0033 0.0179 0.0179
Toxoplasma gondii HEAT repeat-containing protein 0.0033 0.0179 0.0357
Mycobacterium tuberculosis Probable membrane NADH dehydrogenase NdhA 0.022 0.2634 0.775
Schistosoma mansoni sumo-1-activating enzyme E1a 0.005 0.0401 0.0401
Toxoplasma gondii phosphoglycerate kinase PGKII 0.0193 0.2278 0.5478
Trypanosoma cruzi PAB1-binding protein , putative 0.003 0.0149 0.05
Toxoplasma gondii PAN domain-containing protein 0.0335 0.4132 1
Toxoplasma gondii pyruvate dehydrogenase complex subunit PDH-E3II 0.0033 0.0189 0.0381
Brugia malayi serine/threonine-protein kinase plk-2 0.0107 0.1154 0.4059
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0054 0.0453 0.0453
Plasmodium vivax importin-beta 2, putative 0.0033 0.0179 0.0139
Schistosoma mansoni hypothetical protein 0.0349 0.4323 0.4323
Echinococcus multilocularis SUMO activating enzyme subunit 2 0.0036 0.0222 0.0222
Echinococcus granulosus beta LACTamase domain containing family member 0.0043 0.032 0.032
Trichomonas vaginalis Importin beta-1 subunit, putative 0.0027 0.0098 0.0188
Trichomonas vaginalis CAMK family protein kinase 0.0107 0.1154 0.3454
Echinococcus multilocularis dna polymerase kappa 0.0022 0.0037 0.0037
Trypanosoma cruzi phosphoglycerate kinase, putative 0.0193 0.2278 1
Loa Loa (eye worm) hypothetical protein 0.0043 0.032 0.074
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0034 0.0194 0.0194
Trypanosoma brucei dihydrolipoyl dehydrogenase 0.0033 0.0189 0.0676
Loa Loa (eye worm) hypothetical protein 0.0043 0.032 0.074
Loa Loa (eye worm) hypothetical protein 0.0051 0.0416 0.0961
Mycobacterium tuberculosis Probable oxidoreductase 0.0245 0.2956 0.871
Trichomonas vaginalis CAMK family protein kinase 0.0107 0.1154 0.3454
Schistosoma mansoni rab geranylgeranyl transferase alpha subunit 0.0022 0.0037 0.0037
Trypanosoma cruzi dihydrolipoamide dehydrogenase, putative 0.0033 0.0189 0.0676
Loa Loa (eye worm) apoptosis regulator protein 0.0094 0.0981 0.2268
Loa Loa (eye worm) beta-lactamase 0.0043 0.032 0.074
Leishmania major 2-oxoglutarate dehydrogenase, e3 component, lipoamidedehydrogenase-like protein 0.0033 0.0189 0.0676
Brugia malayi PAN domain containing protein 0.0022 0.0033 0.0115
Brugia malayi PAN domain containing protein 0.0022 0.0033 0.0115
Schistosoma mansoni dihydrolipoamide dehydrogenase 0.0033 0.0189 0.0189
Loa Loa (eye worm) hypothetical protein 0.0043 0.032 0.074
Leishmania major protein kinase, putative,polo-like protein kinase, putative 0.0107 0.1154 0.4981
Giardia lamblia Phosphoglycerate kinase 0.0193 0.2278 1
Toxoplasma gondii ABC1 family protein 0.0043 0.032 0.0701
Toxoplasma gondii LsmAD domain-containing protein 0.003 0.0149 0.0284
Loa Loa (eye worm) hypothetical protein 0.0043 0.032 0.074
Echinococcus multilocularis microtubule associated protein 2 0.0783 1 1
Loa Loa (eye worm) hypothetical protein 0.0022 0.0033 0.0075
Trichomonas vaginalis CAMK family protein kinase 0.0053 0.0445 0.1262
Toxoplasma gondii ThiF family protein 0.0036 0.0222 0.0461
Leishmania major ubiquitin-activating enzyme-like protein 0.0036 0.0222 0.0823
Loa Loa (eye worm) thioredoxin reductase 0.0097 0.1015 0.2347
Loa Loa (eye worm) hypothetical protein 0.0022 0.0033 0.0075
Trypanosoma cruzi polo-like protein kinase, putative 0.0107 0.1154 0.4981
Trypanosoma cruzi hypothetical protein, conserved 0.0043 0.032 0.1261
Brugia malayi Pyridine nucleotide-disulphide oxidoreductase, dimerisation domain containing protein 0.0025 0.0072 0.0255
Brugia malayi RNA, U transporter 1 0.0093 0.0968 0.3408
Mycobacterium ulcerans fusion of enoyl-CoA hydratase, EchA21 and lipase, LipE 0.0043 0.032 0.1261
Loa Loa (eye worm) PAN domain-containing protein 0.0022 0.0033 0.0075
Toxoplasma gondii PAN domain-containing protein 0.0335 0.4132 1
Leishmania major PAS-domain containing phosphoglycerate kinase, putative 0.0071 0.0678 0.2861
Schistosoma mansoni histone-lysine n-methyltransferase suv9 0.0034 0.0194 0.0194
Loa Loa (eye worm) ThiF family protein 0.0036 0.0222 0.0513
Trypanosoma cruzi dihydrolipoamide dehydrogenase, putative 0.0033 0.0189 0.0676
Loa Loa (eye worm) PAN domain-containing protein 0.0022 0.0033 0.0075
Onchocerca volvulus 0.0034 0.0194 0.0499
Brugia malayi ImpB/MucB/SamB family protein 0.0022 0.0037 0.0131
Onchocerca volvulus 0.0043 0.032 0.0888
Schistosoma mansoni ubiquitin-activating enzyme E1b 0.0036 0.0222 0.0222
Trypanosoma brucei phosphoglycerate kinase 0.0193 0.2278 1
Mycobacterium tuberculosis NADPH-dependent mycothiol reductase Mtr 0.0097 0.1015 0.2917
Trichomonas vaginalis mercuric reductase, putative 0.0033 0.0189 0.0469
Plasmodium vivax dihydrolipoyl dehydrogenase, mitochondrial, putative 0.0033 0.0189 0.0185
Loa Loa (eye worm) hypothetical protein 0.0041 0.0289 0.067
Mycobacterium leprae PROBABLE NADH DEHYDROGENASE NDH 0.022 0.2634 0.8779
Trypanosoma cruzi dihydrolipoyl dehydrogenase, putative 0.0033 0.0189 0.0676
Brugia malayi hypothetical protein 0.002 0.0008 0.0028
Mycobacterium tuberculosis Possible penicillin-binding protein 0.0278 0.3388 1
Mycobacterium ulcerans dihydrolipoamide dehydrogenase 0.0033 0.0189 0.0676
Mycobacterium leprae DIHYDROLIPOAMIDE DEHYDROGENASE LPD (LIPOAMIDE REDUCTASE (NADH)) (LIPOYL DEHYDROGENASE) (DIHYDROLIPOYL DEHYDROGENASE) (DIAPHORASE 0.0245 0.2956 1
Echinococcus granulosus terminal deoxycytidyl transferase rev1 0.0022 0.0037 0.0037
Toxoplasma gondii hypothetical protein 0.0055 0.0467 0.1058
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0054 0.0453 0.0453
Mycobacterium ulcerans esterase/lipase LipP 0.0043 0.032 0.1261
Loa Loa (eye worm) hypothetical protein 0.0033 0.0179 0.0414
Leishmania major hypothetical protein, conserved 0.0043 0.032 0.1261
Plasmodium vivax glutathione reductase, putative 0.0097 0.1015 0.4065
Schistosoma mansoni hypothetical protein 0.0094 0.0981 0.0981
Trypanosoma brucei hypothetical protein, conserved 0.0043 0.032 0.1261
Mycobacterium tuberculosis Probable reductase 0.022 0.2634 0.775
Plasmodium falciparum dihydrolipoyl dehydrogenase, mitochondrial 0.0033 0.0189 0.0185
Trypanosoma brucei dihydrolipoamide dehydrogenase 0.0033 0.0189 0.0676
Plasmodium falciparum phosphoglycerate kinase 0.0193 0.2278 1
Onchocerca volvulus 0.0043 0.032 0.0888
Trichomonas vaginalis phosphoglycerate kinase, putative 0.0193 0.2278 0.6935
Toxoplasma gondii phosphoglycerate kinase PGKI 0.0193 0.2278 0.5478
Leishmania major DNA polymerase eta, putative 0.0051 0.0416 0.1688
Schistosoma mansoni apoptosis regulator bax 0.0094 0.0981 0.0981
Plasmodium vivax hypothetical protein, conserved 0.0043 0.032 0.0802
Mycobacterium tuberculosis NAD(P)H quinone reductase LpdA 0.0245 0.2956 0.871
Echinococcus multilocularis dna polymerase eta 0.0051 0.0416 0.0416
Trypanosoma cruzi trypanothione reductase, putative 0.0097 0.1015 0.4362
Brugia malayi beta-lactamase 0.0043 0.032 0.1126
Echinococcus granulosus serine:threonine protein kinase PLK1 0.0107 0.1154 0.1154
Brugia malayi Thioredoxin reductase 0.0097 0.1015 0.3571
Mycobacterium tuberculosis Probable soluble pyridine nucleotide transhydrogenase SthA (STH) (NAD(P)(+) transhydrogenase [B-specific]) (nicotinamide nucleot 0.0033 0.0189 0.0452
Echinococcus multilocularis snurportin 1 0.0349 0.4323 0.4323
Loa Loa (eye worm) hypothetical protein 0.0022 0.0033 0.0075
Schistosoma mansoni hypothetical protein 0.0094 0.0981 0.0981
Mycobacterium tuberculosis Possible conserved lipoprotein LpqK 0.0043 0.032 0.0844
Loa Loa (eye worm) PAN domain-containing protein 0.0022 0.0033 0.0075
Trichomonas vaginalis CAMK family protein kinase 0.0107 0.1154 0.3454
Brugia malayi hypothetical protein 0.003 0.0149 0.0525
Mycobacterium tuberculosis Probable hydrolase 0.0043 0.032 0.0844
Plasmodium vivax SET domain protein, putative 0.0034 0.0194 0.021
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0054 0.0453 0.0453
Trypanosoma brucei PAB1-binding protein , putative 0.003 0.0149 0.05
Mycobacterium ulcerans flavoprotein disulfide reductase 0.0033 0.0189 0.0676
Giardia lamblia NADH oxidase lateral transfer candidate 0.0033 0.0189 0.0676
Loa Loa (eye worm) glutathione reductase 0.0097 0.1015 0.2347
Brugia malayi dihydrolipoyl dehydrogenase, mitochondrial precursor, putative 0.0033 0.0189 0.0664
Echinococcus multilocularis serine:threonine protein kinase PLK1 0.0107 0.1154 0.1154
Loa Loa (eye worm) MH2 domain-containing protein 0.014 0.1584 0.3664
Echinococcus multilocularis importin subunit beta 1 0.0033 0.0179 0.0179
Trypanosoma brucei importin beta-1 subunit, putative 0.0033 0.0179 0.0632
Brugia malayi ThiF family protein 0.0055 0.0467 0.1642
Brugia malayi Phosphoglycerate kinase 0.0071 0.0678 0.2388
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0034 0.0194 0.0194
Plasmodium vivax phosphoglycerate kinase, putative 0.0193 0.2278 1
Trypanosoma brucei phosphoglycerate kinase 0.0193 0.2278 1
Trypanosoma cruzi dihydrolipoyl dehydrogenase, putative 0.0033 0.0189 0.0676
Mycobacterium tuberculosis Probable esterase/lipase LipP 0.0043 0.032 0.0844
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0054 0.0453 0.0453
Loa Loa (eye worm) hypothetical protein 0.006 0.0539 0.1247
Brugia malayi PAN domain containing protein 0.0022 0.0033 0.0115
Loa Loa (eye worm) beta-LACTamase domain containing family member 0.0043 0.032 0.074
Echinococcus granulosus Bcl 2 ous antagonist:killer 0.0094 0.0981 0.0981
Chlamydia trachomatis phosphoglycerate kinase 0.0193 0.2278 1
Echinococcus granulosus EGFP:Bcl2 fusion protein 0.0094 0.0981 0.0981
Trypanosoma brucei ubiquitin-activating enzyme E1, putative 0.0036 0.0222 0.0823
Leishmania major acetoin dehydrogenase e3 component-like protein 0.0033 0.0189 0.0676
Trypanosoma cruzi ubiquitin-activating enzyme, putative 0.0031 0.0156 0.053
Trypanosoma brucei phosphoglycerate kinase, putative 0.0071 0.0678 0.2861
Plasmodium falciparum glutathione reductase 0.0033 0.0189 0.0185
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0054 0.0453 0.0453
Mycobacterium tuberculosis Probable conserved lipoprotein 0.0043 0.032 0.0844
Mycobacterium tuberculosis Dihydrolipoamide dehydrogenase LpdC (lipoamide reductase (NADH)) (lipoyl dehydrogenase) (dihydrolipoyl dehydrogenase) (diaphoras 0.0245 0.2956 0.871
Mycobacterium ulcerans dihydrolipoamide dehydrogenase, LpdB 0.0033 0.0189 0.0676
Trichomonas vaginalis phosphoglycerate kinase, putative 0.0193 0.2278 0.6935
Loa Loa (eye worm) PAN domain-containing protein 0.0022 0.0033 0.0075
Loa Loa (eye worm) hypothetical protein 0.0034 0.0194 0.0449
Mycobacterium tuberculosis Probable phosphoglycerate kinase Pgk 0.0193 0.2278 0.6688
Trypanosoma cruzi PAS-domain containing phosphoglycerate kinase, putative 0.0071 0.0678 0.2861
Leishmania major trypanothione reductase 0.0097 0.1015 0.4362
Trypanosoma cruzi phosphoglycerate kinase, putative 0.0071 0.0678 0.2861
Mycobacterium leprae Probable phosphoglycerate kinase Pgk 0.0193 0.2278 0.743
Leishmania major phosphoglycerate kinase C, glycosomal 0.0193 0.2278 1
Loa Loa (eye worm) ImpB/MucB/SamB family protein 0.0022 0.0037 0.0086
Toxoplasma gondii thioredoxin reductase 0.0097 0.1015 0.2396
Plasmodium vivax SUMO-activating enzyme subunit 2, putative 0.0036 0.0222 0.0341
Mycobacterium tuberculosis Probable esterase LipL 0.0043 0.032 0.0844
Mycobacterium tuberculosis Putative ferredoxin reductase 0.022 0.2634 0.775
Echinococcus multilocularis Bcl 2 ous antagonist:killer 0.0094 0.0981 0.0981
Trichomonas vaginalis penicillin-binding protein, putative 0.0043 0.032 0.0875
Loa Loa (eye worm) hypothetical protein 0.0043 0.032 0.074
Trypanosoma cruzi dihydrolipoamide dehydrogenase, putative 0.0033 0.0189 0.0676
Trypanosoma cruzi hypothetical protein, conserved 0.0043 0.032 0.1261
Brugia malayi Pre-SET motif family protein 0.0236 0.2842 1
Trypanosoma cruzi DNA polymerase eta, putative 0.0051 0.0416 0.1688
Trichomonas vaginalis CAMK family protein kinase 0.0107 0.1154 0.3454
Echinococcus granulosus dna polymerase eta 0.0051 0.0416 0.0416
Echinococcus granulosus snurportin 1 0.0349 0.4323 0.4323
Trichomonas vaginalis esterase, putative 0.0043 0.032 0.0875
Loa Loa (eye worm) pigment dispersing factor receptor c 0.006 0.0539 0.1247
Echinococcus multilocularis beta LACTamase domain containing family member 0.0043 0.032 0.032
Loa Loa (eye worm) hypothetical protein 0.0022 0.0033 0.0075
Plasmodium vivax thioredoxin reductase, putative 0.0097 0.1015 0.4065
Brugia malayi PAN domain containing protein 0.0022 0.0033 0.0115
Brugia malayi PAN domain containing protein 0.0022 0.0033 0.0115
Trichomonas vaginalis CAMK family protein kinase 0.0053 0.0445 0.1262
Plasmodium falciparum dihydrolipoyl dehydrogenase, apicoplast 0.0033 0.0189 0.0185
Trichomonas vaginalis Importin beta-1 subunit, putative 0.0027 0.0098 0.0188
Entamoeba histolytica phosphoglycerate kinase, putative 0.0193 0.2278 1
Trichomonas vaginalis CAMK family protein kinase 0.0107 0.1154 0.3454
Brugia malayi PAN domain containing protein 0.0022 0.0033 0.0115
Echinococcus multilocularis SUMO activating enzyme subunit 1 0.0055 0.0467 0.0467
Schistosoma mansoni terminal deoxycytidyl transferase 0.0022 0.0037 0.0037
Echinococcus granulosus histone lysine methyltransferase setb 0.0034 0.0194 0.0194
Schistosoma mansoni hypothetical protein 0.0094 0.0981 0.0981
Trypanosoma cruzi phosphoglycerate kinase, putative 0.0071 0.0678 0.2861
Schistosoma mansoni serine/threonine protein kinase 0.0107 0.1154 0.1154
Toxoplasma gondii NADPH-glutathione reductase 0.0033 0.0189 0.0381

Activities

Activity type Activity value Assay description Source Reference
Potency (functional) = 3.5481 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) 10 uM PubChem BioAssay. qHTS of GLP-1 Receptor Inverse Agonists (Inhibition Mode). (Class of assay: confirmatory) ChEMBL. No reference
Potency (binding) = 11.2202 um PUBCHEM_BIOASSAY: qHTS Assay for Identification of Novel General Anesthetics. In this assay, a GABAergic mimetic model system, apoferritin and a profluorescent 1-aminoanthracene ligand (1-AMA), was used to construct a competitive binding assay for identification of novel general anesthetics (Class of assay: confirmatory) [Related pubchem assays: 2385 (Probe Development Summary for Identification of Novel General Anesthetics), 2323 (Validation apoferritin assay run on SigmaAldrich LOPAC1280 collection)] ChEMBL. No reference
Potency (functional) 15.8489 uM PubChem BioAssay. qHTS for Inhibitors of ATXN expression. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 22.3872 uM PUBCHEM_BIOASSAY: qHTS for Inhibitors of TGF-b. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID588856, AID588860] ChEMBL. No reference
Potency (functional) 22.3872 uM PubChem BioAssay. qHTS of TDP-43 Inhibitors. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 35.4813 uM PUBCHEM_BIOASSAY: qHTS for Inhibitors of TGF-b: Cytotox Counterscreen. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID588855, AID588860] ChEMBL. No reference
Potency (functional) 39.8107 uM PubChem BioAssay. qHTS Assay to Find Inhibitors of Pin1. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) = 79.4328 um PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of DNA Polymerase Beta. (Class of assay: confirmatory) 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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