Detailed information for compound 1398165

Basic information

Technical information
  • TDR Targets ID: 1398165
  • Name: 4-phenyldiazenylbenzenesulfonic acid
  • MW: 262.284 | Formula: C12H10N2O3S
  • H donors: 1 H acceptors: 3 LogP: 2.45 Rotable bonds: 3
    Rule of 5 violations (Lipinski): 1
  • SMILES: OS(=O)(=O)c1ccc(cc1)N=Nc1ccccc1
  • InChi: 1S/C12H10N2O3S/c15-18(16,17)12-8-6-11(7-9-12)14-13-10-4-2-1-3-5-10/h1-9H,(H,15,16,17)
  • InChiKey: AJMNDPOSKIBVGX-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

  • 4-phenylazobenzenesulfonic acid
  • 2484-88-0
  • NSC-1847
  • MLS000736488
  • 4-(phenyldiazenyl)benzenesulfonic acid
  • NCIStruc1_000068
  • NCI60_001537
  • SMR000528038
  • 4-(PHENYLAZO)BENZENESULFONIC ACID
  • Azobenzene-4-sulphonic acid
  • EINECS 219-624-1
  • NSC 1847
  • NCI1847
  • NCIStruc2_000318
  • P-phenylazobenzene sulfonic acid
  • Azobenzene-4-sulfonic acid
  • Benzenesulfonic acid, 4-(phenylazo)-
  • Benzenesulfonic acid, p-(phenylazo)-
  • NSC1847
  • p-(Phenylazo)benzenesulfonic acid
  • NCGC00013014

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Homo sapiens GNAS complex locus Starlite/ChEMBL No references
Homo sapiens muscleblind-like splicing regulator 1 Starlite/ChEMBL No references
Giardia intestinalis Putative fructose-1,6-bisphosphate aldolase Starlite/ChEMBL No references

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
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 Muscleblind-like protein Get druggable targets OG5_132352 All targets in OG5_132352
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
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 multilocularis muscleblind protein 1 Get druggable targets OG5_132352 All targets in OG5_132352
Trichomonas vaginalis fructose-bisphosphate aldolase, putative Get druggable targets OG5_129214 All targets in OG5_129214
Schistosoma japonicum ko:K04632 guanine nucleotide binding protein (G protein), alpha stimulating, putative Get druggable targets OG5_131088 All targets in OG5_131088
Loa Loa (eye worm) GTP-binding regulatory protein Gs alpha-S chain Get druggable targets OG5_131088 All targets in OG5_131088
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_132352 All targets in OG5_132352
Brugia malayi GTP-binding regulatory protein Gs alpha-S chain, putative Get druggable targets OG5_131088 All targets in OG5_131088
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_132352 All targets in OG5_132352
Echinococcus granulosus muscleblind protein Get druggable targets OG5_132352 All targets in OG5_132352
Echinococcus multilocularis muscleblind protein Get druggable targets OG5_132352 All targets in OG5_132352
Entamoeba histolytica fructose-1,6-bisphosphate aldolase, putative Get druggable targets OG5_129214 All targets in OG5_129214
Trichomonas vaginalis fructose-bisphosphate aldolase, putative Get druggable targets OG5_129214 All targets in OG5_129214
Giardia lamblia Fructose-bisphosphate aldolase Get druggable targets OG5_129214 All targets in OG5_129214
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
Trichomonas vaginalis fructose-bisphosphate aldolase, putative Get druggable targets OG5_129214 All targets in OG5_129214
Trichomonas vaginalis fructose-bisphosphate aldolase, putative Get druggable targets OG5_129214 All targets in OG5_129214
Entamoeba histolytica fructose-1,6-bisphosphate aldolase, putative Get druggable targets OG5_129214 All targets in OG5_129214
Treponema pallidum fructose-bisphosphate aldolase Get druggable targets OG5_129214 All targets in OG5_129214
Trichomonas vaginalis fructose-bisphosphate aldolase, putative Get druggable targets OG5_129214 All targets in OG5_129214
Trichomonas vaginalis fructose-bisphosphate aldolase, putative Get druggable targets OG5_129214 All targets in OG5_129214
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit Get druggable targets OG5_131088 All targets in OG5_131088
Trichomonas vaginalis fructose-bisphosphate aldolase, putative Get druggable targets OG5_129214 All targets in OG5_129214
Trichomonas vaginalis fructose-bisphosphate aldolase, putative Get druggable targets OG5_129214 All targets in OG5_129214
By sequence similarity to non orthologous known druggable targets
Species Potential target Known druggable target Length Alignment span Identity
Candida albicans fructose-bisphosphate aldolase Putative fructose-1,6-bisphosphate aldolase   323 aa 358 aa 22.6 %
Mycobacterium leprae Probable fructose bisphosphate aldolase Fba Putative fructose-1,6-bisphosphate aldolase   323 aa 361 aa 25.8 %
Mycobacterium tuberculosis Probable fructose-bisphosphate aldolase Fba Putative fructose-1,6-bisphosphate aldolase   323 aa 361 aa 25.5 %
Candida albicans fructose-bisphosphate aldolase Putative fructose-1,6-bisphosphate aldolase   323 aa 358 aa 22.6 %
Schistosoma mansoni GTP-binding protein alpha subunit gna GNAS complex locus 394 aa 450 aa 28.7 %
Mycobacterium ulcerans fructose-bisphosphate aldolase Putative fructose-1,6-bisphosphate aldolase   323 aa 361 aa 26.9 %
Obtained from network model

Ranking Plot

Putative Targets List

Species Potential target Raw Global Species
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.0353 0.2262 1
Giardia lamblia Fructose-bisphosphate aldolase 0.0353 0.2262 1
Mycobacterium ulcerans fructose-bisphosphate aldolase 0.0172 0.098 0.2815
Loa Loa (eye worm) hypothetical protein 0.0194 0.1133 0.2884
Schistosoma mansoni gabp alpha 0.0076 0.0298 0.0308
Loa Loa (eye worm) hypothetical protein 0.0072 0.0265 0.0674
Mycobacterium tuberculosis Probable pyruvate kinase PykA 0.0036 0.0011 0.001
Trichomonas vaginalis glucosylceramidase, putative 0.025 0.1533 0.6763
Trichomonas vaginalis D-aminoacylase, putative 0.0072 0.0265 0.1131
Echinococcus multilocularis pyruvate kinase 0.0036 0.0011 0.0011
Echinococcus multilocularis integrin alpha ps 0.0068 0.0235 0.0235
Trichomonas vaginalis glucosylceramidase, putative 0.0164 0.0922 0.4049
Trichomonas vaginalis set domain proteins, putative 0.0249 0.1524 0.6722
Mycobacterium leprae PROBABLE THIOESTERASE TESA 0.0293 0.1833 0.5283
Trichomonas vaginalis esterase, putative 0.0072 0.0265 0.1131
Onchocerca volvulus 0.0249 0.1524 0.3586
Onchocerca volvulus Pyruvate kinase homolog 0.0036 0.0011 0.0026
Loa Loa (eye worm) hypothetical protein 0.0047 0.0088 0.0223
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.0353 0.2262 1
Trichomonas vaginalis glucosylceramidase, putative 0.0164 0.0922 0.4049
Echinococcus granulosus geminin 0.0173 0.0983 0.0983
Plasmodium falciparum 3-oxoacyl-acyl-carrier protein synthase I/II 0.0088 0.0381 1
Schistosoma mansoni methyltransferase-related 0.0106 0.0507 0.0524
Toxoplasma gondii aldehyde dehydrogenase 0.0127 0.0656 0.2722
Loa Loa (eye worm) cytochrome P450 family protein 0.0057 0.0159 0.0403
Schistosoma mansoni acyl carrier protein 0.0035 0.0008 0.0008
Mycobacterium tuberculosis Conserved protein 0.0106 0.0507 0.1445
Toxoplasma gondii beta-ketoacyl synthase, N-terminal domain-containing protein 0.0228 0.1373 0.5727
Mycobacterium leprae PHENOLPTHIOCEROL SYNTHESIS TYPE-I POLYKETIDE SYNTHASE PPSB 0.028 0.1742 0.5022
Giardia lamblia Methyltransferase like 2 0.0106 0.0507 0.2204
Plasmodium vivax pyruvate kinase, putative 0.0036 0.0011 0.0091
Mycobacterium tuberculosis Polyketide synthetase MbtC (polyketide synthase) 0.0118 0.0594 0.1697
Echinococcus multilocularis Basic leucine zipper (bZIP) transcription 0.0038 0.0025 0.0025
Mycobacterium ulcerans fatty acid synthase Fas 0.011 0.0539 0.1538
Trichomonas vaginalis glucosylceramidase, putative 0.0164 0.0922 0.4049
Echinococcus multilocularis microtubule associated protein 2 0.1397 0.9673 0.9673
Loa Loa (eye worm) hypothetical protein 0.0137 0.0728 0.1852
Loa Loa (eye worm) hypothetical protein 0.0073 0.0276 0.0703
Mycobacterium leprae Probable polyketide synthase Pks1 0.037 0.2384 0.688
Loa Loa (eye worm) acyl carrier protein 0.0035 0.0008 0.0019
Leishmania major aldehyde dehydrogenase, mitochondrial precursor 0.0127 0.0656 1
Trypanosoma cruzi beta-ketoacyl synthase family protein, putative 0.0088 0.0381 1
Trichomonas vaginalis glucosylceramidase, putative 0.025 0.1533 0.6763
Entamoeba histolytica fructose-1,6-bisphosphate aldolase, putative 0.0353 0.2262 1
Mycobacterium ulcerans polyketide synthase Pks13 0.0522 0.3462 1
Onchocerca volvulus 0.0042 0.0056 0.0131
Brugia malayi follicle stimulating hormone receptor 0.0521 0.3456 0.7747
Trypanosoma cruzi beta-ketoacyl synthase family protein, putative 0.0088 0.0381 1
Schistosoma mansoni hypothetical protein 0.0035 0.0008 0.0008
Brugia malayi oxidoreductase, short chain dehydrogenase/reductase family protein 0.0042 0.0056 0.0125
Onchocerca volvulus Fatty acid synthase homolog 0.0633 0.4248 1
Trichomonas vaginalis glucosylceramidase, putative 0.025 0.1533 0.6763
Echinococcus granulosus GA binding protein alpha chain 0.0076 0.0298 0.0298
Trypanosoma brucei beta-ketoacyl-ACP synthase 0.0088 0.0381 1
Mycobacterium tuberculosis Probable polyketide synthase Pks15 0.0142 0.0764 0.2189
Mycobacterium tuberculosis Probable polyketide synthase Pks5 0.034 0.2172 0.6265
Mycobacterium ulcerans 3-oxoacyl-(acyl carrier protein) synthase II 0.0088 0.0381 0.1082
Mycobacterium tuberculosis Probable oxidoreductase 0.0219 0.1311 0.3772
Mycobacterium ulcerans phenolpthiocerol synthesis type-I polyketide synthase PpsE 0.023 0.1385 0.3988
Loa Loa (eye worm) hypothetical protein 0.018 0.1036 0.2637
Mycobacterium ulcerans acyl-CoA synthetase 0.0042 0.0056 0.014
Schistosoma mansoni hypothetical protein 0.0058 0.0166 0.0172
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0139 0.0746 0.0746
Schistosoma mansoni aldehyde dehydrogenase 0.0127 0.0656 0.0678
Trichomonas vaginalis penicillin-binding protein, putative 0.0072 0.0265 0.1131
Trichomonas vaginalis glucosylceramidase, putative 0.0173 0.0985 0.4328
Mycobacterium tuberculosis Probable NADH dehydrogenase Ndh 0.0197 0.1155 0.332
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.0353 0.2262 1
Trichomonas vaginalis glucosylceramidase, putative 0.0164 0.0922 0.4049
Loa Loa (eye worm) phosphopantetheine attachment site family protein 0.0035 0.0008 0.0019
Mycobacterium leprae PROBABLE POLYKETIDE BETA-KETOACYL SYNTHASE PKS4 0.0054 0.0138 0.0378
Chlamydia trachomatis 3-oxoacyl-ACP synthase 0.0088 0.0381 1
Mycobacterium ulcerans polyketide synthase 0.037 0.2384 0.688
Brugia malayi beta-lactamase family protein 0.0072 0.0265 0.0594
Plasmodium vivax thioredoxin reductase, putative 0.0086 0.0369 0.967
Onchocerca volvulus 0.0058 0.0166 0.0391
Onchocerca volvulus Pyruvate kinase homolog 0.0036 0.0011 0.0026
Schistosoma mansoni hypothetical protein 0.0047 0.0088 0.0091
Mycobacterium leprae PROBABLE NADH DEHYDROGENASE NDH 0.0197 0.1155 0.332
Loa Loa (eye worm) hypothetical protein 0.0101 0.0473 0.1203
Trichomonas vaginalis glucosylceramidase, putative 0.0164 0.0922 0.4049
Loa Loa (eye worm) hypothetical protein 0.0054 0.0138 0.0351
Loa Loa (eye worm) pigment dispersing factor receptor c 0.0148 0.0805 0.2048
Mycobacterium tuberculosis Phenolpthiocerol synthesis type-I polyketide synthase PpsB 0.0054 0.0138 0.0378
Mycobacterium ulcerans hypothetical protein 0.0072 0.0265 0.0745
Trypanosoma cruzi hypothetical protein, conserved 0.0072 0.0265 0.6885
Schistosoma mansoni hypothetical protein 0.0038 0.0025 0.0026
Toxoplasma gondii AMP-binding enzyme domain-containing protein 0.0178 0.1022 0.4257
Schistosoma mansoni microtubule-associated protein tau 0.1397 0.9673 1
Trypanosoma brucei hypothetical protein, conserved 0.0072 0.0265 0.6885
Loa Loa (eye worm) beta-ketoacyl synthase domain-containing protein 0.0088 0.0381 0.097
Echinococcus multilocularis ubiquitin specific protease 41 0.0036 0.001 0.001
Mycobacterium tuberculosis Probable polyketide synthase Pks7 0.037 0.2384 0.688
Mycobacterium ulcerans non-ribosomal peptide synthetase MbtE 0.0042 0.0056 0.014
Brugia malayi beta-lactamase family protein 0.0072 0.0265 0.0594
Schistosoma mansoni hypothetical protein 0.0047 0.0088 0.0091
Brugia malayi Ets-domain containing protein 0.0076 0.0298 0.0668
Mycobacterium tuberculosis Probable lipase LipE 0.0072 0.0265 0.0745
Brugia malayi Methyltransferase-like protein 4 0.0106 0.0507 0.1136
Trypanosoma cruzi hypothetical protein, conserved 0.0072 0.0265 0.6885
Entamoeba histolytica fructose-1,6-bisphosphate aldolase, putative 0.0353 0.2262 1
Brugia malayi latrophilin 2 splice variant baaae 0.0101 0.0473 0.106
Echinococcus multilocularis pyruvate kinase 0.0036 0.0011 0.0011
Echinococcus granulosus muscleblind protein 0.018 0.1036 0.1036
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.0353 0.2262 1
Mycobacterium tuberculosis Polyketide synthetase MbtD (polyketide synthase) 0.0108 0.0522 0.1489
Echinococcus multilocularis muscleblind protein 0.018 0.1036 0.1036
Mycobacterium tuberculosis Probable conserved lipoprotein 0.0072 0.0265 0.0745
Mycobacterium tuberculosis Probable fatty acid synthase Fas (fatty acid synthetase) 0.011 0.0539 0.1538
Schistosoma mansoni hypothetical protein 0.0047 0.0088 0.0091
Onchocerca volvulus Glucosylceramidase homolog 0.0164 0.0922 0.217
Toxoplasma gondii type I fatty acid synthase 0.0054 0.0138 0.0548
Brugia malayi hypothetical protein 0.0283 0.1767 0.3961
Brugia malayi Ubiquitin carboxyl-terminal hydrolase family protein 0.0036 0.001 0.0023
Echinococcus multilocularis NADH dehydrogenase 0.0035 0.0008 0.0008
Trichomonas vaginalis glucosylceramidase, putative 0.025 0.1533 0.6763
Leishmania major ubiquitin hydrolase, putative,cysteine peptidase, Clan CA, family C19, putative 0.0036 0.001 0.0044
Mycobacterium ulcerans aldehyde dehydrogenase 0.0127 0.0656 0.1878
Trichomonas vaginalis D-aminoacylase, putative 0.0072 0.0265 0.1131
Mycobacterium leprae PHENOLPTHIOCEROL SYNTHESIS TYPE-I POLYKETIDE SYNTHASE PPSC 0.037 0.2384 0.688
Echinococcus granulosus ubiquitin specific protease 41 0.0036 0.001 0.001
Trypanosoma cruzi trypanothione reductase, putative 0.0086 0.0369 0.967
Mycobacterium tuberculosis Polyketide synthase Pks2 0.034 0.2172 0.6265
Trypanosoma brucei pyruvate kinase 1 0.0036 0.0011 0.0091
Loa Loa (eye worm) hypothetical protein 0.0072 0.0265 0.0674
Mycobacterium leprae Probable pyruvate kinase PykA 0.0036 0.0011 0.001
Loa Loa (eye worm) hypothetical protein 0.0173 0.0986 0.251
Mycobacterium tuberculosis Phenolpthiocerol synthesis type-I polyketide synthase PpsA 0.0348 0.2229 0.6432
Mycobacterium tuberculosis Probable polyketide synthase Pks17 0.0086 0.0365 0.1034
Loa Loa (eye worm) hypothetical protein 0.0247 0.1507 0.3834
Onchocerca volvulus Pyruvate kinase homolog 0.0036 0.0011 0.0026
Mycobacterium ulcerans beta-lactamase 0.0072 0.0265 0.0745
Onchocerca volvulus Huntingtin homolog 0.0137 0.0728 0.1713
Mycobacterium ulcerans thioesterase TesA 0.0293 0.1833 0.5283
Onchocerca volvulus Acyl carrier protein, mitochondrial homolog 0.0035 0.0008 0.0018
Plasmodium falciparum thioredoxin reductase 0.0086 0.0369 0.967
Schistosoma mansoni hypothetical protein 0.0101 0.0473 0.0489
Toxoplasma gondii type I fatty acid synthase, putative 0.025 0.153 0.6387
Mycobacterium leprae Polyketide synthase Pks13 0.0522 0.3462 1
Trichomonas vaginalis D-aminoacylase, putative 0.0072 0.0265 0.1131
Onchocerca volvulus 0.0335 0.2133 0.502
Mycobacterium leprae Probable multifunctional mycocerosic acid synthase membrane associated enzyme Mas 0.037 0.2384 0.688
Onchocerca volvulus 0.0618 0.4142 0.9749
Echinococcus granulosus acyl carrier protein mitochondrial 0.0035 0.0008 0.0008
Entamoeba histolytica hypothetical protein 0.0038 0.0025 0.0066
Loa Loa (eye worm) glutathione reductase 0.0086 0.0369 0.0939
Mycobacterium tuberculosis Phenolpthiocerol synthesis type-I polyketide synthase PpsD 0.0348 0.2229 0.6432
Brugia malayi GTP-binding regulatory protein Gs alpha-S chain, putative 0.0139 0.0746 0.1672
Schistosoma mansoni aldehyde dehydrogenase 0.0127 0.0656 0.0678
Brugia malayi Iron-sulfur cluster assembly accessory protein 0.0058 0.0166 0.0372
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0139 0.0746 0.0746
Echinococcus multilocularis Peptidase C19, ubiquitin carboxyl terminal hydrolase 2 0.0036 0.001 0.001
Trypanosoma cruzi pyruvate kinase 2, putative 0.0036 0.0011 0.0091
Toxoplasma gondii ABC1 family protein 0.0072 0.0265 0.108
Loa Loa (eye worm) integrin alpha pat-2 0.0484 0.3194 0.8126
Mycobacterium tuberculosis Dihydrolipoamide dehydrogenase LpdC (lipoamide reductase (NADH)) (lipoyl dehydrogenase) (dihydrolipoyl dehydrogenase) (diaphoras 0.0219 0.1311 0.3772
Leishmania major hypothetical protein, conserved 0.0106 0.0507 0.7693
Brugia malayi Calcitonin receptor-like protein seb-1 0.0148 0.0805 0.1804
Echinococcus granulosus NADH dehydrogenase 0.0035 0.0008 0.0008
Plasmodium falciparum glutathione reductase 0.0086 0.0369 0.967
Echinococcus multilocularis aldehyde dehydrogenase, mitochondrial 0.0127 0.0656 0.0656
Mycobacterium leprae PHENOLPTHIOCEROL SYNTHESIS TYPE-I POLYKETIDE SYNTHASE PPSE 0.023 0.1385 0.3988
Loa Loa (eye worm) hypothetical protein 0.0072 0.0265 0.0674
Mycobacterium ulcerans polyketide synthase MbtD 0.0108 0.0522 0.1489
Loa Loa (eye worm) pyruvate kinase 0.0036 0.0011 0.0028
Schistosoma mansoni integrin alpha-ps 0.0141 0.0756 0.0781
Loa Loa (eye worm) O-glycosyl hydrolase family 30 protein 0.025 0.1533 0.39
Loa Loa (eye worm) hypothetical protein 0.0065 0.0219 0.0558
Mycobacterium tuberculosis Probable aldehyde dehydrogenase 0.0127 0.0656 0.1878
Toxoplasma gondii pyruvate kinase PyK1 0.0036 0.0011 0.0014
Mycobacterium ulcerans esterase/lipase LipP 0.0072 0.0265 0.0745
Mycobacterium ulcerans non-ribosomal peptide synthetase MbtF 0.0042 0.0056 0.014
Mycobacterium tuberculosis Probable polyketide synthase Pks8 0.0284 0.1775 0.5117
Mycobacterium leprae PROBABLE FATTY ACID SYNTHASE FAS (FATTY ACID SYNTHETASE) 0.011 0.0539 0.1538
Echinococcus multilocularis integrin alpha ps 0.0141 0.0756 0.0756
Mycobacterium ulcerans polyketide synthase 0.0348 0.2229 0.6432
Mycobacterium ulcerans fusion of enoyl-CoA hydratase, EchA21 and lipase, LipE 0.0072 0.0265 0.0745
Echinococcus multilocularis ubiquitin carboxyl terminal hydrolase 8 0.0036 0.001 0.001
Mycobacterium tuberculosis NAD(P)H quinone reductase LpdA 0.0219 0.1311 0.3772
Mycobacterium tuberculosis Probable polyketide beta-ketoacyl synthase Pks3 0.0054 0.0138 0.0378
Treponema pallidum fructose-bisphosphate aldolase 0.0353 0.2262 1
Loa Loa (eye worm) D-ets-4 DNA binding domain-containing protein 0.0076 0.0298 0.0758
Loa Loa (eye worm) GTP-binding regulatory protein Gs alpha-S chain 0.0139 0.0746 0.1898
Entamoeba histolytica hypothetical protein 0.0038 0.0025 0.0066
Mycobacterium tuberculosis Probable dehydrogenase 0.0197 0.1155 0.332
Echinococcus granulosus integrin alpha 3 0.0241 0.1466 0.1466
Schistosoma mansoni 3-oxoacyl-[ACP] synthase 0.0088 0.0381 0.0394
Mycobacterium tuberculosis Conserved protein 0.0072 0.0265 0.0745
Mycobacterium tuberculosis Probable esterase LipL 0.0072 0.0265 0.0745
Echinococcus multilocularis integrin alpha 3 0.0241 0.1466 0.1466
Brugia malayi Pre-SET motif family protein 0.0219 0.1309 0.2935
Loa Loa (eye worm) beta-lactamase 0.0072 0.0265 0.0674
Trypanosoma cruzi pyruvate kinase 2, putative 0.0036 0.0011 0.0091
Mycobacterium ulcerans Type I modular polyketide synthase 0.0348 0.2229 0.6432
Loa Loa (eye worm) hypothetical protein 0.0283 0.1767 0.4495
Mycobacterium tuberculosis NADPH-dependent mycothiol reductase Mtr 0.0086 0.0369 0.1046
Echinococcus multilocularis atpase aaa+ type core atpase aaa type core 0.0788 0.5353 0.5353
Mycobacterium tuberculosis Probable hydrolase 0.0072 0.0265 0.0745
Brugia malayi Pyruvate kinase, muscle isozyme 0.0036 0.0011 0.0025
Loa Loa (eye worm) fli-1 protein 0.0232 0.1402 0.3566
Loa Loa (eye worm) latrophilin receptor protein 2 0.0047 0.0088 0.0223
Echinococcus granulosus pyruvate kinase 0.0036 0.0011 0.0011
Entamoeba histolytica hypothetical protein 0.0038 0.0025 0.0066
Mycobacterium tuberculosis Probable fructose-bisphosphate aldolase Fba 0.0172 0.098 0.2815
Brugia malayi acyl carrier protein, mitochondrial precursor, putative 0.0035 0.0008 0.0017
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.0353 0.2262 1
Schistosoma mansoni survival motor neuron protein 0.0058 0.0166 0.0172
Loa Loa (eye worm) fatty acid synthase 0.0346 0.2215 0.5635
Mycobacterium tuberculosis P-hydroxybenzoyl-AMP ligase FadD22 0.0042 0.0056 0.014
Mycobacterium tuberculosis Conserved protein 0.0072 0.0265 0.0745
Brugia malayi oxidoreductase, zinc-binding dehydrogenase family protein 0.0663 0.4461 1
Mycobacterium ulcerans phenolpthiocerol synthesis type-I polyketide synthase PpsC 0.037 0.2384 0.688
Brugia malayi Beta-ketoacyl synthase, N-terminal domain containing protein 0.0348 0.2229 0.4998
Echinococcus granulosus 3 oxoacyl acyl carrier protein synthase 0.0088 0.0381 0.0381
Mycobacterium ulcerans aldehyde dehydrogenase 0.0127 0.0656 0.1878
Mycobacterium tuberculosis Polyketide synthase Pks13 0.0522 0.3462 1
Echinococcus multilocularis thioredoxin glutathione reductase 0.0087 0.0373 0.0373
Echinococcus granulosus GPCR family 2 0.0047 0.0088 0.0088
Leishmania major pyruvate kinase 0.0036 0.0011 0.0052
Schistosoma mansoni pyruvate kinase 0.0036 0.0011 0.0011
Brugia malayi Thioredoxin reductase 0.0086 0.0369 0.0827
Onchocerca volvulus 0.0072 0.0265 0.0624
Mycobacterium ulcerans thioesterase 0.0293 0.1833 0.5283
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0139 0.0746 0.0746
Trichomonas vaginalis glucosylceramidase, putative 0.0164 0.0922 0.4049
Mycobacterium ulcerans phenolpthiocerol synthesis type-I polyketide synthase PpsD 0.0348 0.2229 0.6432
Schistosoma mansoni hypothetical protein 0.0068 0.0235 0.0243
Mycobacterium tuberculosis Possible penicillin-binding protein 0.0458 0.3008 0.8687
Echinococcus granulosus integrin alpha ps 0.0068 0.0235 0.0235
Echinococcus granulosus aldehyde dehydrogenase mitochondrial 0.0127 0.0656 0.0656
Mycobacterium tuberculosis Putative ferredoxin reductase 0.0197 0.1155 0.332
Loa Loa (eye worm) AMP-binding enzyme family protein 0.0335 0.2133 0.5426
Trichomonas vaginalis pyruvate kinase, putative 0.0036 0.0011 0.0003
Brugia malayi hypothetical protein 0.0137 0.0728 0.1631
Echinococcus multilocularis beta LACTamase domain containing family member 0.0072 0.0265 0.0265
Plasmodium falciparum conserved Plasmodium protein, unknown function 0.005 0.0113 0.2822
Mycobacterium ulcerans phenolpthiocerol synthesis type-I polyketide synthase PpsB 0.028 0.1742 0.5022
Mycobacterium tuberculosis Probable multifunctional mycocerosic acid synthase membrane-associated Mas 0.037 0.2384 0.688
Leishmania major beta-ketoacyl synthase family protein, putative,3-oxoacyl-acyl carrier protein synthase ii, putative 0.0088 0.0381 0.5762
Schistosoma mansoni family S12 unassigned peptidase (S12 family) 0.0072 0.0265 0.0274
Mycobacterium tuberculosis Probable nitrite reductase [NAD(P)H] large subunit [FAD flavoprotein] NirB 0.0197 0.1155 0.332
Schistosoma mansoni transcription factor LCR-F1 0.0038 0.0025 0.0026
Loa Loa (eye worm) pyruvate kinase 0.0036 0.0011 0.0028
Giardia lamblia Pyruvate kinase 0.0036 0.0011 0.0003
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0139 0.0746 0.0771
Schistosoma mansoni hypothetical protein 0.0047 0.0088 0.0091
Brugia malayi Hypothetical 52.5 kDa protein ZK945.1 in chromosome II, putative 0.0072 0.0265 0.0594
Schistosoma mansoni pyruvate kinase 0.0036 0.0011 0.0011
Loa Loa (eye worm) hypothetical protein 0.0238 0.1443 0.3671
Plasmodium vivax glutathione reductase, putative 0.0086 0.0369 0.967
Mycobacterium tuberculosis Phenyloxazoline synthase MbtB (phenyloxazoline synthetase) 0.0335 0.2133 0.6152
Trypanosoma brucei ubiquitin carboxyl-terminal hydrolase, putative 0.0036 0.001 0.0076
Mycobacterium leprae Probable lipase LipE 0.0072 0.0265 0.0745
Mycobacterium ulcerans aldehyde dehydrogenase 0.0127 0.0656 0.1878
Onchocerca volvulus 0.0072 0.0265 0.0624
Trichomonas vaginalis penicillin-binding protein, putative 0.0072 0.0265 0.1131
Schistosoma mansoni ubiquitin-specific peptidase 8 (C19 family) 0.0036 0.001 0.0011
Wolbachia endosymbiont of Brugia malayi 3-oxoacyl-ACP synthase 0.0088 0.0381 1
Plasmodium vivax 3-oxoacyl-[acyl-carrier-protein] synthase i/ii, putative 0.0088 0.0381 1
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.0353 0.2262 1
Schistosoma mansoni integrin alpha-ps 0.0073 0.0276 0.0286
Mycobacterium ulcerans peptide synthetase Nrp (peptide synthase) 0.0042 0.0056 0.014
Onchocerca volvulus Huntingtin homolog 0.0137 0.0728 0.1713
Trichomonas vaginalis conserved hypothetical protein 0.0106 0.0507 0.2204
Mycobacterium leprae PHENOLPTHIOCEROL SYNTHESIS TYPE-I POLYKETIDE SYNTHASE PPSA 0.0348 0.2229 0.6432
Onchocerca volvulus 0.0072 0.0265 0.0624
Mycobacterium tuberculosis Peptide synthetase MbtE (peptide synthase) 0.0042 0.0056 0.014
Mycobacterium tuberculosis Phenolpthiocerol synthesis type-I polyketide synthase PpsC 0.0348 0.2229 0.6432
Loa Loa (eye worm) beta-LACTamase domain containing family member 0.0072 0.0265 0.0674
Schistosoma mansoni hypothetical protein 0.0173 0.0983 0.1016
Entamoeba histolytica hypothetical protein 0.0038 0.0025 0.0066
Mycobacterium ulcerans fatty-acid-CoA ligase FadD9 0.0036 0.0014 0.0019
Brugia malayi Muscleblind-like protein 0.018 0.1036 0.2324
Schistosoma mansoni hypothetical protein 0.0173 0.0983 0.1016
Echinococcus granulosus cadherin EGF LAG seven pass G type receptor 0.0047 0.0088 0.0088
Loa Loa (eye worm) hypothetical protein 0.0072 0.0265 0.0674
Echinococcus granulosus AMP dependent ligase 0.0036 0.0014 0.0014
Entamoeba histolytica acyl-CoA synthetase, putative 0.0036 0.0014 0.0017
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.0353 0.2262 1
Echinococcus multilocularis AMP dependent ligase 0.0036 0.0014 0.0014
Echinococcus multilocularis GPCR, family 2 0.0047 0.0088 0.0088
Mycobacterium tuberculosis Probable polyketide synthase Pks1 0.0252 0.1546 0.4454
Brugia malayi Fli-1 protein 0.0232 0.1402 0.3142
Mycobacterium leprae DIHYDROLIPOAMIDE DEHYDROGENASE LPD (LIPOAMIDE REDUCTASE (NADH)) (LIPOYL DEHYDROGENASE) (DIHYDROLIPOYL DEHYDROGENASE) (DIAPHORASE 0.0219 0.1311 0.3772
Mycobacterium leprae conserved hypothetical protein 0.0072 0.0265 0.0745
Mycobacterium tuberculosis Probable polyketide beta-ketoacyl synthase Pks4 0.0054 0.0138 0.0378
Echinococcus granulosus diuretic hormone 44 receptor GPRdih2 0.0047 0.0088 0.0088
Leishmania major pyruvate kinase 0.0036 0.0011 0.0052
Schistosoma mansoni ubiquitin-specific peptidase 2 (C19 family) 0.0036 0.001 0.0011
Mycobacterium tuberculosis Peptide synthetase MbtF (peptide synthase) 0.0042 0.0056 0.014
Loa Loa (eye worm) hypothetical protein 0.0036 0.001 0.0026
Mycobacterium ulcerans non-ribosomal peptide synthetase 0.0036 0.0014 0.0019
Brugia malayi beta-lactamase 0.0072 0.0265 0.0594
Brugia malayi Beta-ketoacyl synthase, N-terminal domain containing protein 0.0088 0.0381 0.0855
Echinococcus multilocularis muscleblind protein 1 0.018 0.1036 0.1036
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0139 0.0746 0.0771
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.0148 0.0805 0.1804
Mycobacterium tuberculosis Possible conserved lipoprotein LpqK 0.0072 0.0265 0.0745
Trichomonas vaginalis glucosylceramidase, putative 0.0164 0.0922 0.4049
Trypanosoma cruzi ubiquitin carboxyl-terminal hydrolase, putative 0.0036 0.001 0.0076
Leishmania major trypanothione reductase 0.0086 0.0369 0.5572
Mycobacterium tuberculosis Probable thioesterase TesA 0.0293 0.1833 0.5283
Mycobacterium tuberculosis Probable fatty-acid-CoA ligase FadD9 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase) 0.0036 0.0014 0.0019
Mycobacterium ulcerans pyruvate kinase 0.0036 0.0011 0.001
Loa Loa (eye worm) hypothetical protein 0.0036 0.0011 0.0028
Plasmodium vivax hypothetical protein, conserved 0.0072 0.0265 0.6885
Mycobacterium tuberculosis Polyketide synthase Pks12 0.037 0.2384 0.688
Brugia malayi Phosphopantetheine attachment site family protein 0.0035 0.0008 0.0017
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0139 0.0746 0.0771
Mycobacterium tuberculosis Conserved protein 0.0072 0.0265 0.0745
Echinococcus granulosus beta LACTamase domain containing family member 0.0072 0.0265 0.0265
Mycobacterium tuberculosis Probable lipase LipD 0.0072 0.0265 0.0745
Brugia malayi hypothetical protein 0.0038 0.0025 0.0056
Trypanosoma brucei trypanothione reductase 0.0086 0.0369 0.967
Echinococcus multilocularis diuretic hormone 44 receptor GPRdih2 0.0047 0.0088 0.0088
Mycobacterium ulcerans multifunctional mycocerosic acid synthase membrane-associated Mas 0.037 0.2384 0.688
Loa Loa (eye worm) hypothetical protein 0.0054 0.0138 0.0351
Echinococcus multilocularis geminin 0.0173 0.0983 0.0983
Mycobacterium tuberculosis Probable reductase 0.0197 0.1155 0.332
Toxoplasma gondii 3-oxoacyl-acyl-carrier protein synthase I/II, putative 0.0088 0.0381 0.1568
Loa Loa (eye worm) follicle stimulating hormone receptor 0.0521 0.3456 0.8792
Loa Loa (eye worm) acyl carrier protein 0.0161 0.0902 0.2294
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.0353 0.2262 1
Mycobacterium ulcerans phenolpthiocerol synthesis type-I polyketide synthase PpsA 0.028 0.1742 0.5022
Mycobacterium ulcerans phenyloxazoline synthase MbtB 0.0042 0.0056 0.014
Plasmodium vivax hypothetical protein, conserved 0.005 0.0113 0.2822
Brugia malayi calcium-independent alpha-latrotoxin receptor 2, putative 0.0047 0.0088 0.0197
Trichomonas vaginalis pyruvate kinase, putative 0.0036 0.0011 0.0003
Echinococcus multilocularis Acyl carrier protein, mitochondrial 0.0035 0.0008 0.0008
Trypanosoma brucei pyruvate kinase 1, putative 0.0036 0.0011 0.0091
Echinococcus granulosus microtubule associated protein 2 0.1397 0.9673 0.9673
Schistosoma mansoni integrin alpha 0.0314 0.1986 0.2053
Echinococcus multilocularis GA binding protein alpha chain 0.0076 0.0298 0.0298
Loa Loa (eye worm) thioredoxin reductase 0.0086 0.0369 0.0939
Schistosoma mansoni ets-related 0.0232 0.1402 0.1449
Mycobacterium ulcerans Type I modular polyketide synthase 0.0348 0.2229 0.6432
Trypanosoma cruzi ubiquitin carboxyl-terminal hydrolase, putative 0.0036 0.001 0.0076
Echinococcus multilocularis survival motor neuron protein 1 0.0283 0.1767 0.1767
Mycobacterium ulcerans polyketide synthase MbtC 0.0088 0.0381 0.1082
Echinococcus granulosus thioredoxin glutathione reductase 0.0087 0.0373 0.0373
Echinococcus multilocularis integrin alpha ps 0.0141 0.0756 0.0756
Schistosoma mansoni family S12 unassigned peptidase (S12 family) 0.0072 0.0265 0.0274
Toxoplasma gondii type I fatty acid synthase, putative 0.0371 0.2391 1
Echinococcus granulosus pyruvate kinase 0.0036 0.0011 0.0011
Brugia malayi Latrophilin receptor protein 2 0.0047 0.0088 0.0197
Loa Loa (eye worm) pyruvate kinase 0.0036 0.0011 0.0028
Brugia malayi O-Glycosyl hydrolase family 30 protein 0.025 0.1533 0.3436
Trichomonas vaginalis glucosylceramidase, putative 0.0173 0.0985 0.4328
Toxoplasma gondii thioredoxin reductase 0.0086 0.0369 0.1517
Brugia malayi Pyruvate kinase, M2 isozyme 0.0036 0.0011 0.0025
Mycobacterium tuberculosis Probable membrane NADH dehydrogenase NdhA 0.0197 0.1155 0.332
Loa Loa (eye worm) hypothetical protein 0.0148 0.0805 0.2048
Mycobacterium leprae Probable fatty-acid-CoA synthetase FadD22 (fatty-acid-CoA ligase) (fatty-acid-CoA synthase) 0.0042 0.0056 0.014
Brugia malayi glutathione reductase 0.0086 0.0369 0.0827
Mycobacterium tuberculosis Probable polyketide synthase Pks9 0.02 0.1173 0.3373
Loa Loa (eye worm) hypothetical protein 0.018 0.1036 0.2637
Mycobacterium ulcerans lipase LipD 0.0072 0.0265 0.0745
Loa Loa (eye worm) hypothetical protein 0.0068 0.0235 0.0598
Brugia malayi Integrin alpha cytoplasmic region family protein 0.0238 0.1443 0.3235
Chlamydia trachomatis pyruvate kinase 0.0036 0.0011 0.0091
Mycobacterium leprae Probable fructose bisphosphate aldolase Fba 0.0172 0.098 0.2815
Brugia malayi Cytochrome P450 family protein 0.0057 0.0159 0.0356
Trichomonas vaginalis glucosylceramidase, putative 0.025 0.1533 0.6763
Brugia malayi AMP-binding enzyme family protein 0.0335 0.2133 0.4781
Brugia malayi Integrin alpha pat-2 precursor 0.0314 0.1986 0.4453
Brugia malayi AMP-binding enzyme family protein 0.0109 0.0529 0.1185
Loa Loa (eye worm) pre-SET domain-containing protein family protein 0.0219 0.1309 0.333
Trichomonas vaginalis glucosylceramidase, putative 0.025 0.1533 0.6763
Echinococcus granulosus survival motor neuron protein 1 0.0283 0.1767 0.1767
Mycobacterium leprae PHENOLPTHIOCEROL SYNTHESIS TYPE-I POLYKETIDE SYNTHASE PPSD 0.0348 0.2229 0.6432
Brugia malayi Ets-domain containing protein 0.0076 0.0298 0.0668
Echinococcus granulosus Peptidase C19 ubiquitin carboxyl terminal hydrolase 2 0.0036 0.001 0.001
Echinococcus granulosus ubiquitin carboxyl terminal hydrolase 8 0.0036 0.001 0.001
Leishmania major hypothetical protein, conserved 0.0072 0.0265 0.3968
Loa Loa (eye worm) hypothetical protein 0.0072 0.0265 0.0674
Mycobacterium leprae Probable fatty-acid-CoA ligase FadD9 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase) 0.0036 0.0014 0.0019
Loa Loa (eye worm) hypothetical protein 0.0072 0.0265 0.0674
Mycobacterium tuberculosis Probable esterase/lipase LipP 0.0072 0.0265 0.0745
Mycobacterium tuberculosis Probable membrane bound polyketide synthase Pks6 0.0522 0.3462 1
Mycobacterium ulcerans Type I modular polyketide synthase 0.0348 0.2229 0.6432
Mycobacterium ulcerans polyketide synthase Pks9 0.023 0.1385 0.3988
Plasmodium falciparum pyruvate kinase 0.0036 0.0011 0.0091
Loa Loa (eye worm) hypothetical protein 0.0588 0.393 1
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0139 0.0746 0.0746
Loa Loa (eye worm) hypothetical protein 0.0137 0.0728 0.1852
Echinococcus granulosus Basic leucine zipper bZIP transcription 0.0038 0.0025 0.0025
Mycobacterium ulcerans 3-oxoacyl-(acyl carrier protein) synthase II 0.0088 0.0381 0.1082
Mycobacterium tuberculosis Probable peptide synthetase Nrp (peptide synthase) 0.0042 0.0056 0.014
Mycobacterium tuberculosis Hypothetical protein 0.0106 0.0507 0.1445
Echinococcus multilocularis cadherin EGF LAG seven pass G type receptor 0.0047 0.0088 0.0088
Mycobacterium tuberculosis Phenolpthiocerol synthesis type-I polyketide synthase PpsE 0.0054 0.0138 0.0378
Echinococcus granulosus integrin alpha ps 0.0141 0.0756 0.0756
Entamoeba histolytica acyl-CoA synthetase, putative 0.0059 0.0172 0.0718
Echinococcus multilocularis 3 oxoacyl (acyl carrier protein) synthase 0.0088 0.0381 0.0381

Activities

Activity type Activity value Assay description Source Reference
Potency (functional) 1.9953 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) 2.9362 uM PUBCHEM_BIOASSAY: Primary qHTS for delayed death inhibitors of the malarial parasite plastid, 48 hour incubation. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID488752, AID488774, AID504848, AID504850] ChEMBL. No reference
Potency (binding) 10 uM PubChem BioAssay. qHTS Assay for Inhibitors of MBNL1-poly(CUG) RNA binding. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) = 17.7407 um PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of Fructose-1,6-bisphosphate Aldolase from Giardia Lamblia. (Class of assay: confirmatory) [Related pubchem assays: 2472, 2464 ] ChEMBL. No reference
Potency (functional) 30.1313 uM PUBCHEM_BIOASSAY: qHTS profiling assay for firefly luciferase inhibitor/activator using purified enzyme and Km concentrations of substrates (counterscreen for miR-21 project). (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID2288, AID2289, AID2598, AID411] ChEMBL. No reference
Potency (functional) 79.4328 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) = 89.1251 um PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of DNA Polymerase Beta. (Class of assay: confirmatory) ChEMBL. No reference

Phenotypes

Whole-cell/tissue/organism interactions

Species name Source Reference Is orphan
Plasmodium falciparum ChEMBL23

Many chemical entities in TDR Targets come from high-throughput screenings with whole cells or tissue samples, and not all assayed compounds have been tested against a single a single target protein, probably because they get ruled out during screening process. Even if these compounds may have not been of interest in the original screening, they may come as interesting leads for other screening assays. Furthermore, we may be able to propose drug-target associations using chemical similarities and network patterns.

Annotated phenotypes:

We have no manually annotated phenotypes for this drug. What does this mean? / Care to help?
In TDR Targets, information about phenotypes that are caused by drugs, or by genetic manipulation of cells (e.g. gene knockouts or knockdowns) is manually curated from the literature. These descriptions help to describe the potential of the target for drug development. If no information is available for this gene or if the information is incomplete, this may mean that i) the papers containing this information either appeared after the curation effort for this organism was carried out or they were inadvertently missed by curators; or that ii) the curation effort for this organism has not yet started.
 
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External resources for this compound

Bibliographic References

No literature references available for this target.

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