Detailed information for compound 771610

Basic information

Technical information
  • TDR Targets ID: 771610
  • Name: 4-[[3-(carboxymethylsulfanyl)-4-hydroxynaphth alen-1-yl]sulfamoyl]benzoic acid
  • MW: 433.455 | Formula: C19H15NO7S2
  • H donors: 4 H acceptors: 7 LogP: 2.97 Rotable bonds: 7
    Rule of 5 violations (Lipinski): 1
  • SMILES: OC(=O)CSc1cc(NS(=O)(=O)c2ccc(cc2)C(=O)O)c2c(c1O)cccc2
  • InChi: 1S/C19H15NO7S2/c21-17(22)10-28-16-9-15(13-3-1-2-4-14(13)18(16)23)20-29(26,27)12-7-5-11(6-8-12)19(24)25/h1-9,20,23H,10H2,(H,21,22)(H,24,25)
  • InChiKey: CIERPRDYPKVDJO-UHFFFAOYSA-N  

Network

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Synonyms

  • 4-[[3-(carboxymethylsulfanyl)-4-hydroxy-1-naphthyl]sulfamoyl]benzoic acid
  • 4-[[3-(carboxymethylthio)-4-hydroxy-1-naphthyl]sulfamoyl]benzoic acid
  • 4-[[3-(carboxymethylsulfanyl)-4-hydroxy-naphthalen-1-yl]sulfamoyl]benzoic acid

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Saccharomyces cerevisiae histone acetyltransferase GCN5 Starlite/ChEMBL References
Saccharomyces cerevisiae Rtt109p Starlite/ChEMBL References
Homo sapiens E1A binding protein p300 Starlite/ChEMBL References

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Schistosoma mansoni gcn5proteinral control of amino-acid synthesis 5-like 2 gcnl2 Get druggable targets OG5_127781 All targets in OG5_127781
Plasmodium vivax histone acetyltransferase GCN5, putative Get druggable targets OG5_127781 All targets in OG5_127781
Echinococcus granulosus CREB binding protein Get druggable targets OG5_129174 All targets in OG5_129174
Brugia malayi TAZ zinc finger family protein Get druggable targets OG5_129174 All targets in OG5_129174
Schistosoma japonicum CREB-binding protein, putative Get druggable targets OG5_129174 All targets in OG5_129174
Trichomonas vaginalis bromodomain-containing protein, putative Get druggable targets OG5_127781 All targets in OG5_127781
Schistosoma mansoni CREB-binding protein 1 (SmCBP1) Get druggable targets OG5_129174 All targets in OG5_129174
Candida albicans bromodomain protein similar to S. cerevisiae GCN5 (YGR252W) histone acetyltransferase Get druggable targets OG5_127781 All targets in OG5_127781
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_129174 All targets in OG5_129174
Echinococcus multilocularis CREB binding protein Get druggable targets OG5_129174 All targets in OG5_129174
Toxoplasma gondii histone lysine acetyltransferase GCN5-A Get druggable targets OG5_127781 All targets in OG5_127781
Loa Loa (eye worm) acetyltransferase Get druggable targets OG5_127781 All targets in OG5_127781
Plasmodium yoelii histone acetyltransferase GCN5-related Get druggable targets OG5_127781 All targets in OG5_127781
Echinococcus multilocularis CREB binding protein Get druggable targets OG5_129174 All targets in OG5_129174
Schistosoma japonicum ko:K06062 p300/CBP-associated factor, putative Get druggable targets OG5_127781 All targets in OG5_127781
Echinococcus multilocularis CREB binding protein Get druggable targets OG5_129174 All targets in OG5_129174
Babesia bovis histone acetyltransferase Get druggable targets OG5_127781 All targets in OG5_127781
Plasmodium falciparum histone acetyltransferase GCN5 Get druggable targets OG5_127781 All targets in OG5_127781
Echinococcus granulosus CREB binding protein Get druggable targets OG5_129174 All targets in OG5_129174
Schistosoma japonicum Protein cbp-1, putative Get druggable targets OG5_129174 All targets in OG5_129174
Toxoplasma gondii histone lysine acetyltransferase GCN5-B Get druggable targets OG5_127781 All targets in OG5_127781
Loa Loa (eye worm) CBP-B Get druggable targets OG5_129174 All targets in OG5_129174
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_129174 All targets in OG5_129174
Giardia lamblia Histone acetyltransferase GCN5 Get druggable targets OG5_127781 All targets in OG5_127781
Candida albicans bromodomain protein similar to S. cerevisiae GCN5 (YGR252W) histone acetyltransferase Get druggable targets OG5_127781 All targets in OG5_127781
Echinococcus multilocularis gcn5proteinral control of amino acid synthesis Get druggable targets OG5_127781 All targets in OG5_127781
Echinococcus granulosus histone acetyltransferase KAT2B Get druggable targets OG5_127781 All targets in OG5_127781
Schistosoma mansoni CREB-binding protein 2 Get druggable targets OG5_129174 All targets in OG5_129174
Candida albicans Regulation of mitochondrial network Get druggable targets OG5_136567 All targets in OG5_136567
Cryptosporidium hominis histone acetyltransferase Get druggable targets OG5_127781 All targets in OG5_127781
Neospora caninum hypothetical protein Get druggable targets OG5_127781 All targets in OG5_127781
Plasmodium knowlesi histone acetyltransferase GCN5, putative Get druggable targets OG5_127781 All targets in OG5_127781
Echinococcus multilocularis CREB binding protein Get druggable targets OG5_129174 All targets in OG5_129174
Trichomonas vaginalis cat eye syndrome critical region protein 2, cscr2, putative Get druggable targets OG5_127781 All targets in OG5_127781
Schistosoma japonicum ko:K04498 E1A/CREB-binding protein, putative Get druggable targets OG5_129174 All targets in OG5_129174
Echinococcus granulosus CREB binding protein Get druggable targets OG5_129174 All targets in OG5_129174
Brugia malayi acetyltransferase, GNAT family protein Get druggable targets OG5_127781 All targets in OG5_127781
Cryptosporidium parvum GCN5 like acetylase + bromodomain Get druggable targets OG5_127781 All targets in OG5_127781
Neospora caninum Bromodomain containing protein, related Get druggable targets OG5_127781 All targets in OG5_127781
Plasmodium berghei histone acetyltransferase GCN5, putative Get druggable targets OG5_127781 All targets in OG5_127781
Schistosoma japonicum IPR011071,Polysaccharide lyase family 8-like, C-terminal,domain-containing Get druggable targets OG5_129174 All targets in OG5_129174
Theileria parva histone acetyltransferase Gcn5, putative Get druggable targets OG5_127781 All targets in OG5_127781
Echinococcus granulosus CREB binding protein Get druggable targets OG5_129174 All targets in OG5_129174
Echinococcus granulosus histone acetyltransferase KAT2B Get druggable targets OG5_127781 All targets in OG5_127781
Entamoeba histolytica acetyltransferase, GNAT family Get druggable targets OG5_127781 All targets in OG5_127781

By sequence similarity to non orthologous known druggable targets
No druggable targets predicted by sequence similarity

Obtained from network model

Ranking Plot


Putative Targets List


Species Potential target Raw Global Species
Onchocerca volvulus 0.0213 0.3885 1
Trypanosoma cruzi PAB1-binding protein , putative 0.0027 0.0273 0.544
Brugia malayi gamma-aminobutyric-acid receptor beta subunit precursor 0.0379 0.7122 1
Chlamydia trachomatis lysine--tRNA ligase 0.0024 0.0209 0.5
Echinococcus granulosus nicotinic acetylcholine receptor alpha subunit 0.0213 0.3885 0.8964
Brugia malayi Acetylcholine receptor protein, alpha-like chain 1 precursor 0.0098 0.1654 0.2282
Schistosoma mansoni glucose transport protein 0.0107 0.1827 0.4171
Plasmodium vivax calcium-dependent protein kinase 4, putative 0.0033 0.0382 0.0404
Trypanosoma brucei THT1 - hexose transporter, putative 0.0033 0.039 0.8107
Loa Loa (eye worm) acetylcholine receptor protein 0.0098 0.1654 0.1654
Loa Loa (eye worm) hypothetical protein 0.0015 0.0036 0.0036
Loa Loa (eye worm) hypothetical protein 0.0027 0.0273 0.0273
Loa Loa (eye worm) hypothetical protein 0.0213 0.3885 0.3885
Loa Loa (eye worm) cytochrome P450 family protein 0.0029 0.0315 0.0315
Giardia lamblia Lysyl-tRNA synthetase 0.0024 0.0209 0.1846
Echinococcus multilocularis gcn5proteinral control of amino acid synthesis 0.0071 0.1122 0.282
Trypanosoma cruzi hexose transporter, putative 0.0018 0.0097 0.1383
Brugia malayi Neurotransmitter-gated ion-channel transmembrane region family protein 0.0213 0.3885 0.5431
Loa Loa (eye worm) hypothetical protein 0.0015 0.0036 0.0036
Plasmodium vivax hexose transporter 0.0107 0.1827 0.2094
Echinococcus multilocularis CREB binding protein 0.002 0.0134 0.0254
Loa Loa (eye worm) hypothetical protein 0.0057 0.0862 0.0862
Loa Loa (eye worm) hypothetical protein 0.0015 0.0036 0.0036
Trichomonas vaginalis glucose transporter, putative 0.0033 0.039 0.1973
Loa Loa (eye worm) hypothetical protein 0.0098 0.1654 0.1654
Brugia malayi Neurotransmitter-gated ion-channel transmembrane region family protein 0.0115 0.1974 0.2735
Loa Loa (eye worm) RNA recognition domain-containing protein domain-containing protein 0.0071 0.1128 0.1128
Loa Loa (eye worm) hypothetical protein 0.0115 0.1974 0.1974
Echinococcus granulosus glutamyl tRNA synthetase cytoplasmic 0.0032 0.0369 0.0774
Brugia malayi nicotinic acetylcholine receptor beta-1 chain precursor 0.0213 0.3885 0.5431
Loa Loa (eye worm) hypothetical protein 0.0098 0.1654 0.1654
Trypanosoma cruzi flap endonuclease-1 (FEN-1), putative 0.0028 0.0291 0.5843
Echinococcus multilocularis nicotinic acetylcholine receptor subunit type 0.0098 0.1654 0.4203
Schistosoma mansoni nAChR subunit 0.0098 0.1654 0.3767
Brugia malayi TAZ zinc finger family protein 0.0235 0.4329 0.6059
Brugia malayi Hypothetical glycine receptor like protein T20B12.9 in chromosome III 0.0213 0.3885 0.5431
Trichomonas vaginalis glucose transporter, putative 0.0033 0.039 0.1973
Loa Loa (eye worm) hypothetical protein 0.0213 0.3885 0.3885
Echinococcus multilocularis nicotinic acetylcholine receptor beta 1 subunit 0.0213 0.3885 1
Toxoplasma gondii protein kinase, putative 0.0302 0.5631 1
Schistosoma mansoni neurotransmitter gated ion channel 0.0098 0.1654 0.3767
Plasmodium falciparum calcium-dependent protein kinase 1 0.0033 0.0382 0.0404
Schistosoma mansoni nAChR subunit 0.0213 0.3885 0.8964
Loa Loa (eye worm) ACC-1 protein 0.0213 0.3885 0.3885
Schistosoma mansoni nAChR subunit (ShAR1-beta-like) 0.0213 0.3885 0.8964
Echinococcus granulosus solute carrier family 2 facilitated glucose 0.0107 0.1827 0.4171
Schistosoma mansoni serine/threonine protein kinase 0.0033 0.0381 0.0804
Loa Loa (eye worm) GABA receptor subunit 0.0115 0.1974 0.1974
Schistosoma mansoni nicotinic acetylcholine receptor alpha 0.0115 0.1974 0.4514
Echinococcus granulosus CREB binding protein 0.002 0.0134 0.0228
Echinococcus granulosus flap endonuclease 1 0.0028 0.0291 0.0593
Loa Loa (eye worm) hypothetical protein 0.0015 0.0036 0.0036
Loa Loa (eye worm) hypothetical protein 0.0213 0.3885 0.3885
Trypanosoma cruzi lysyl-tRNA synthetase, putative 0.0024 0.0209 0.395
Plasmodium falciparum calcium-dependent protein kinase 2 0.0033 0.0382 0.0404
Loa Loa (eye worm) hypothetical protein 0.0213 0.3885 0.3885
Schistosoma mansoni protein kinase 0.0033 0.0381 0.0804
Wolbachia endosymbiont of Brugia malayi major facilitator superfamily permease 0.0015 0.0036 0.5
Brugia malayi acetyltransferase, GNAT family protein 0.0071 0.1122 0.1532
Loa Loa (eye worm) neuronal acetylcholine receptor protein 0.0098 0.1654 0.1654
Loa Loa (eye worm) hypothetical protein 0.0098 0.1654 0.1654
Loa Loa (eye worm) hypothetical protein 0.0379 0.7122 0.7122
Plasmodium falciparum ataxin-2 like protein, putative 0.0027 0.0273 0.0277
Echinococcus granulosus histone acetyltransferase KAT2B 0.0071 0.1122 0.2528
Echinococcus granulosus glycine receptor subunit beta 0.0213 0.3885 0.8964
Echinococcus granulosus nicotinic acetylcholine receptor subunit alpha 8 0.0213 0.3885 0.8964
Onchocerca volvulus Putative nachr subunit 0.0213 0.3885 1
Trypanosoma cruzi hexose transporter, putative 0.0033 0.039 0.8107
Echinococcus granulosus solute carrier family 2 facilitated glucose 0.0107 0.1827 0.4171
Echinococcus multilocularis gamma aminobutyric acid receptor subunit 0.0098 0.1654 0.4203
Loa Loa (eye worm) hypothetical protein 0.0015 0.0036 0.0036
Echinococcus multilocularis glycine receptor subunit alpha 1 0.0213 0.3885 1
Trypanosoma brucei glucose transporter, putative 0.0033 0.039 0.8107
Brugia malayi hypothetical protein 0.0027 0.0273 0.0335
Trypanosoma brucei glucose transporter 1E 0.0033 0.039 0.8107
Brugia malayi Neurotransmitter-gated ion-channel ligand binding domain containing protein 0.0213 0.3885 0.5431
Entamoeba histolytica hypothetical protein 0.0039 0.05 0.165
Loa Loa (eye worm) hypothetical protein 0.0213 0.3885 0.3885
Plasmodium vivax lysine--tRNA ligase, putative 0.0024 0.0209 0.0201
Trypanosoma brucei glucose transporter, putative 0.0033 0.039 0.8107
Loa Loa (eye worm) hypothetical protein 0.0098 0.1654 0.1654
Trypanosoma brucei lysyl-tRNA synthetase, putative 0.0024 0.0209 0.395
Echinococcus multilocularis solute carrier family 2 facilitated glucose 0.0107 0.1827 0.4654
Plasmodium falciparum protein kinase 7 0.0302 0.5631 0.6542
Schistosoma mansoni hypothetical protein 0.0039 0.05 0.108
Mycobacterium ulcerans lysyl-tRNA synthetase 0.0024 0.0209 1
Toxoplasma gondii histone lysine acetyltransferase GCN5-B 0.0071 0.1122 0.194
Loa Loa (eye worm) glutamate-gated chloride channel alpha3A subunit 0.0098 0.1654 0.1654
Loa Loa (eye worm) hypothetical protein 0.0098 0.1654 0.1654
Echinococcus granulosus calcium dependent protein kinase 0.0031 0.0342 0.0712
Leishmania major hypothetical protein, conserved 0.0027 0.0273 0.544
Trichomonas vaginalis lysyl-tRNA synthetase, putative 0.0021 0.0151 0.0641
Loa Loa (eye worm) hypothetical protein 0.0024 0.0209 0.0209
Plasmodium falciparum histone acetyltransferase GCN5 0.0063 0.0969 0.109
Entamoeba histolytica hypothetical protein 0.0039 0.05 0.165
Trypanosoma cruzi prolyl-tRNA synthetase, putative 0.0037 0.0472 1
Brugia malayi Cytochrome P450 family protein 0.0029 0.0315 0.0393
Loa Loa (eye worm) ligand-Gated ion Channel family member 0.0213 0.3885 0.3885
Plasmodium falciparum flap endonuclease 1 0.0028 0.0291 0.0298
Schistosoma mansoni acetylcholine receptor-related 0.0098 0.1654 0.3767
Loa Loa (eye worm) hypothetical protein 0.0015 0.0036 0.0036
Loa Loa (eye worm) hypothetical protein 0.0213 0.3885 0.3885
Loa Loa (eye worm) CAMK/CAMK2 protein kinase 0.0033 0.0381 0.0381
Schistosoma mansoni lysyl-tRNA synthetase 0.0024 0.0209 0.0401
Onchocerca volvulus 0.0213 0.3885 1
Brugia malayi Neurotransmitter-gated ion-channel ligand binding domain containing protein 0.0213 0.3885 0.5431
Trypanosoma brucei glucose transporter, putative 0.0033 0.039 0.8107
Echinococcus multilocularis glutamyl tRNA synthetase cytoplasmic 0.0032 0.0369 0.0863
Loa Loa (eye worm) hypothetical protein 0.0032 0.0369 0.0369
Echinococcus multilocularis nicotinic acetylcholine receptor a11 subunit 0.0213 0.3885 1
Loa Loa (eye worm) hypothetical protein 0.0098 0.1654 0.1654
Loa Loa (eye worm) glutamate-gated chloride channel alpha3A subunit 0.0213 0.3885 0.3885
Schistosoma mansoni nAChR subunit 0.0213 0.3885 0.8964
Loa Loa (eye worm) hypothetical protein 0.0015 0.0036 0.0036
Trichomonas vaginalis bromodomain-containing protein, putative 0.0071 0.1122 0.606
Plasmodium falciparum protein kinase 6 0.0454 0.8588 1
Loa Loa (eye worm) hypothetical protein 0.0098 0.1654 0.1654
Echinococcus granulosus histone acetyltransferase KAT2B 0.0062 0.0952 0.2134
Brugia malayi nicotinic acetylcholine receptor alpha subunit, putative 0.0213 0.3885 0.5431
Schistosoma mansoni gcn5proteinral control of amino-acid synthesis 5-like 2 gcnl2 0.0071 0.1122 0.2528
Loa Loa (eye worm) ACC-1 protein 0.0213 0.3885 0.3885
Trypanosoma cruzi hexose transporter 0.0033 0.039 0.8107
Trypanosoma brucei bifunctional aminoacyl-tRNA synthetase, putative 0.0037 0.0472 1
Trypanosoma brucei THT1 - hexose transporter, putative 0.0033 0.039 0.8107
Loa Loa (eye worm) hypothetical protein 0.0115 0.1974 0.1974
Echinococcus granulosus CREB binding protein 0.0189 0.3416 0.7872
Loa Loa (eye worm) sugar transporter 0.0015 0.0036 0.0036
Trypanosoma cruzi hexose transporter, putative 0.0033 0.039 0.8107
Toxoplasma gondii histone lysine acetyltransferase GCN5-A 0.0071 0.1122 0.194
Trypanosoma brucei calcium/calmodulin-dependent protein kinase, putative 0.0033 0.0381 0.7919
Schistosoma mansoni protein kinase 0.0033 0.0381 0.0804
Leishmania major protein kinase, putative 0.0033 0.0381 0.7919
Brugia malayi lysyl-tRNA synthetase 0.0024 0.0209 0.0243
Schistosoma mansoni CREB-binding protein 2 0.0235 0.4329 1
Trichomonas vaginalis lysyl-tRNA synthetase, putative 0.0024 0.0209 0.0961
Loa Loa (eye worm) hypothetical protein 0.0015 0.0036 0.0036
Echinococcus granulosus lysyl tRNA synthetase 0.0024 0.0209 0.0401
Echinococcus multilocularis CREB binding protein 0.002 0.0134 0.0254
Brugia malayi Sugar transporter family protein 0.0107 0.1827 0.2527
Leishmania major lysyl-tRNA synthetase, putative 0.0024 0.0209 0.395
Plasmodium falciparum proline--tRNA ligase 0.0037 0.0472 0.051
Entamoeba histolytica hypothetical protein 0.0115 0.1974 1
Echinococcus multilocularis tar DNA binding protein 0.0071 0.1128 0.2837
Plasmodium vivax flap endonuclease 1, putative 0.0028 0.0291 0.0298
Trypanosoma brucei glucose transporter, putative 0.0033 0.039 0.8107
Brugia malayi TAR-binding protein 0.0071 0.1128 0.1541
Trichomonas vaginalis conserved hypothetical protein 0.0107 0.1827 1
Schistosoma mansoni nAChR subunit (ShAR1-beta2-like) 0.0213 0.3885 0.8964
Brugia malayi Neurotransmitter-gated ion-channel ligand binding domain containing protein 0.0098 0.1654 0.2282
Loa Loa (eye worm) major facilitator superfamily transporter 0.0015 0.0036 0.0036
Echinococcus granulosus glycine receptor subunit beta 0.0213 0.3885 0.8964
Trichomonas vaginalis conserved hypothetical protein 0.0033 0.039 0.1973
Loa Loa (eye worm) hypothetical protein 0.0098 0.1654 0.1654
Echinococcus granulosus glycine receptor subunit alpha 1 0.0213 0.3885 0.8964
Schistosoma mansoni tar DNA-binding protein 0.0071 0.1128 0.2543
Loa Loa (eye worm) hypothetical protein 0.0098 0.1654 0.1654
Echinococcus granulosus Basic leucine zipper bZIP transcription 0.0039 0.05 0.108
Echinococcus multilocularis glycine receptor subunit alpha 1 0.0213 0.3885 1
Loa Loa (eye worm) hypothetical protein 0.0115 0.1974 0.1974
Loa Loa (eye worm) hypothetical protein 0.0115 0.1974 0.1974
Echinococcus multilocularis nAChR subunit 0.0213 0.3885 1
Trichomonas vaginalis sugar transporter, putative 0.0033 0.039 0.1973
Trichomonas vaginalis conserved hypothetical protein 0.0033 0.039 0.1973
Brugia malayi Neuronal acetylcholine receptor protein, alpha-2 chain precursor 0.0098 0.1654 0.2282
Echinococcus multilocularis glycine receptor subunit beta 0.0213 0.3885 1
Echinococcus multilocularis nicotinic acetylcholine receptor alpha subunit 0.0213 0.3885 1
Echinococcus granulosus nAChR subunit 0.0115 0.1974 0.4514
Brugia malayi Neurotransmitter-gated ion-channel ligand binding domain containing protein 0.0213 0.3885 0.5431
Loa Loa (eye worm) RNA binding protein 0.0071 0.1128 0.1128
Echinococcus granulosus solute carrier family 2 facilitated glucose 0.0107 0.1827 0.4171
Brugia malayi Neurotransmitter-gated ion-channel transmembrane region family protein 0.0213 0.3885 0.5431
Schistosoma mansoni tar DNA-binding protein 0.0071 0.1128 0.2543
Brugia malayi acetylcholine receptor protein, alpha-like chain, putative 0.0213 0.3885 0.5431
Mycobacterium tuberculosis Lysyl-tRNA synthetase 1 LysS (lysine--tRNA ligase 1) (LysRS 1) (lysine translase) 0.002 0.0138 1
Loa Loa (eye worm) calcium/calmodulin-dependent protein kinase ID 0.0033 0.0381 0.0381
Giardia lamblia Histone acetyltransferase GCN5 0.0063 0.0969 1
Brugia malayi Neurotransmitter-gated ion-channel ligand binding domain containing protein 0.0213 0.3885 0.5431
Plasmodium falciparum calcium-dependent protein kinase 4 0.0033 0.0382 0.0404
Plasmodium vivax calcium-dependent protein kinase 3, putative 0.0033 0.0382 0.0404
Echinococcus multilocularis Cys loop ligand gated ion channel subunit 0.0098 0.1654 0.4203
Onchocerca volvulus 0.0213 0.3885 1
Brugia malayi Neurotransmitter-gated ion-channel ligand binding domain containing protein 0.0098 0.1654 0.2282
Loa Loa (eye worm) nicotinic acetylcholine receptor non-alpha subunit 0.0213 0.3885 0.3885
Echinococcus multilocularis Cys loop ligand gated ion channel subunit 0.0213 0.3885 1
Onchocerca volvulus 0.0213 0.3885 1
Giardia lamblia Flap structure-specific endonuclease 0.0028 0.0291 0.2731
Brugia malayi RNA binding protein 0.0071 0.1128 0.1541
Schistosoma mansoni nAChR subunit 0.0098 0.1654 0.3767
Brugia malayi excitatory GABA receptor EXP-1A 0.0213 0.3885 0.5431
Schistosoma mansoni protein kinase 0.0033 0.0381 0.0804
Onchocerca volvulus 0.0115 0.1974 0.5036
Plasmodium vivax proline--tRNA ligase, putative 0.0037 0.0472 0.051
Toxoplasma gondii calcium-dependent protein kinase CDPK2B 0.0033 0.0382 0.0617
Loa Loa (eye worm) hypothetical protein 0.0098 0.1654 0.1654
Loa Loa (eye worm) sugar transporter 0.0107 0.1827 0.1827
Loa Loa (eye worm) excitatory GABA receptor EXP-1A 0.0213 0.3885 0.3885
Leishmania major prolyl-tRNA synthetase, putative,bifunctional aminoacyl-tRNA synthetase, putative 0.0037 0.0472 1
Echinococcus multilocularis neuronal acetylcholine receptor subunit alpha 4 0.0213 0.3885 1
Echinococcus multilocularis General substrate transporter 0.0092 0.1534 0.3892
Echinococcus multilocularis solute carrier family 2, facilitated glucose 0.0107 0.1827 0.4654
Loa Loa (eye worm) nicotinic acetylcholine receptor alpha subunit 0.0213 0.3885 0.3885
Echinococcus granulosus Cys loop ligand gated ion channel subunit 0.0213 0.3885 0.8964
Loa Loa (eye worm) hypothetical protein 0.0015 0.0036 0.0036
Onchocerca volvulus 0.0098 0.1654 0.4203
Leishmania major glucose transporter, lmgt1 0.0033 0.039 0.8107
Echinococcus multilocularis calcium:calmodulin dependent protein kinase type 0.0033 0.0381 0.0897
Loa Loa (eye worm) hypothetical protein 0.0213 0.3885 0.3885
Toxoplasma gondii cell-cycle-associated protein kinase MAPK, putative 0.0173 0.3111 0.5495
Plasmodium falciparum lysine--tRNA ligase 0.0024 0.0209 0.0201
Echinococcus granulosus nAChR subunit 0.0213 0.3885 0.8964
Brugia malayi hypothetical protein 0.0098 0.1654 0.2282
Loa Loa (eye worm) flap endonuclease-1 0.0028 0.0291 0.0291
Echinococcus granulosus calcium:calmodulin dependent protein kinase type 0.0033 0.0381 0.0804
Trypanosoma brucei glucose transporter, putative 0.0033 0.039 0.8107
Brugia malayi hypothetical protein 0.0039 0.05 0.0654
Loa Loa (eye worm) hypothetical protein 0.0213 0.3885 0.3885
Echinococcus multilocularis CREB binding protein 0.002 0.0134 0.0254
Echinococcus multilocularis solute carrier family 2 facilitated glucose 0.0107 0.1827 0.4654
Schistosoma mansoni lysyl-tRNA synthetase 0.0024 0.0209 0.0401
Trypanosoma brucei glucose transporter 2A 0.0033 0.039 0.8107
Loa Loa (eye worm) hypothetical protein 0.0026 0.0251 0.0251
Loa Loa (eye worm) hypothetical protein 0.0213 0.3885 0.3885
Echinococcus granulosus General substrate transporter 0.0092 0.1534 0.3489
Echinococcus granulosus calcium:calmodulin dependent protein kinase type 0.0033 0.0381 0.0804
Brugia malayi Bifunctional aminoacyl-tRNA synthetase 0.0032 0.0369 0.0469
Brugia malayi Neurotransmitter-gated ion-channel ligand binding domain containing protein 0.0213 0.3885 0.5431
Echinococcus granulosus CREB binding protein 0.0235 0.4329 1
Schistosoma mansoni glutamyl-tRNA synthetase cytoplasmic (glutamate--tRNA ligase) (glurs) 0.0032 0.0369 0.0774
Echinococcus granulosus nicotinic acetylcholine receptor a11 subunit 0.0213 0.3885 0.8964
Schistosoma mansoni nAChR subunit 0.0213 0.3885 0.8964
Loa Loa (eye worm) acetyltransferase 0.0071 0.1122 0.1122
Toxoplasma gondii LsmAD domain-containing protein 0.0027 0.0273 0.0424
Schistosoma mansoni tar DNA-binding protein 0.0071 0.1128 0.2543
Echinococcus granulosus neuronal acetylcholine receptor subunit alpha 4 0.0213 0.3885 0.8964
Plasmodium vivax ataxin-2 like protein, putative 0.0027 0.0273 0.0277
Schistosoma mansoni nAChR subunit 0.0213 0.3885 0.8964
Echinococcus granulosus nicotinic acetylcholine receptor subunit type 0.0213 0.3885 0.8964
Schistosoma mansoni CREB-binding protein 1 (SmCBP1) 0.0235 0.4329 1
Plasmodium vivax CDK-related protein kinase 6, putative 0.0454 0.8588 1
Loa Loa (eye worm) hypothetical protein 0.0213 0.3885 0.3885
Loa Loa (eye worm) hypothetical protein 0.0015 0.0036 0.0036
Plasmodium vivax mitogen-activated protein kinase 2, putative 0.0173 0.3111 0.3595
Brugia malayi acetylcholine receptor alpha subunit precursor, putative 0.0213 0.3885 0.5431
Loa Loa (eye worm) hypothetical protein 0.0213 0.3885 0.3885
Schistosoma mansoni nAChR subunit 0.0213 0.3885 0.8964
Brugia malayi Cation transporter family protein 0.0213 0.3885 0.5431
Loa Loa (eye worm) hypothetical protein 0.0213 0.3885 0.3885
Echinococcus multilocularis nAChR subunit 0.0115 0.1974 0.5036
Schistosoma mansoni glutamyl-tRNA synthetase cytoplasmic (glutamate--tRNA ligase) (glurs) 0.0032 0.0369 0.0774
Loa Loa (eye worm) hypothetical protein 0.0213 0.3885 0.3885
Mycobacterium ulcerans lysyl-tRNA synthetase 0.0024 0.0209 1
Schistosoma mansoni tar DNA-binding protein 0.0071 0.1128 0.2543
Trichomonas vaginalis sugar transporter, putative 0.0033 0.039 0.1973
Brugia malayi hypothetical protein 0.0098 0.1654 0.2282
Toxoplasma gondii prolyl-tRNA synthetase (ProRS) 0.0037 0.0472 0.0779
Echinococcus multilocularis lysyl tRNA synthetase 0.0024 0.0209 0.0447
Schistosoma mansoni glucose transport protein 0.0107 0.1827 0.4171
Echinococcus granulosus CREB binding protein 0.002 0.0134 0.0228
Brugia malayi Cation transporter family protein 0.0213 0.3885 0.5431
Echinococcus multilocularis glycine receptor subunit alpha 1 0.0213 0.3885 1
Leishmania major flap endonuclease-1 (FEN-1), putative 0.0028 0.0291 0.5843
Schistosoma mansoni flap endonuclease-1 0.0025 0.0238 0.0471
Brugia malayi Neurotransmitter-gated ion-channel transmembrane region family protein 0.0213 0.3885 0.5431
Loa Loa (eye worm) hypothetical protein 0.0015 0.0036 0.0036
Echinococcus multilocularis nicotinic acetylcholine receptor subunit alpha 8 0.0213 0.3885 1
Loa Loa (eye worm) hypothetical protein 0.0213 0.3885 0.3885
Trichomonas vaginalis CAMK family protein kinase 0.0033 0.0381 0.1927
Echinococcus multilocularis calcium:calmodulin dependent protein kinase type 0.0033 0.0381 0.0897
Trichomonas vaginalis prolyl-tRNA synthetase, putative 0.0032 0.0369 0.1855
Loa Loa (eye worm) hypothetical protein 0.0213 0.3885 0.3885
Brugia malayi Flap endonuclease-1 0.0028 0.0291 0.0359
Brugia malayi Hypothetical glycine receptor like protein T20B12.9 in chromosome III 0.0115 0.1974 0.2735
Onchocerca volvulus 0.0098 0.1654 0.4203
Echinococcus granulosus glycine receptor subunit alpha 1 0.0213 0.3885 0.8964
Trypanosoma brucei flap endonuclease-1 (FEN-1), putative 0.0028 0.0291 0.5843
Loa Loa (eye worm) hypothetical protein 0.0115 0.1974 0.1974
Loa Loa (eye worm) hypothetical protein 0.0115 0.1974 0.1974
Echinococcus multilocularis calcium:calmodulin dependent protein kinase type 0.0033 0.0381 0.0897
Trypanosoma cruzi PAB1-binding protein , putative 0.0027 0.0273 0.544
Brugia malayi Neurotransmitter-gated ion-channel ligand binding domain containing protein 0.0098 0.1654 0.2282
Loa Loa (eye worm) hypothetical protein 0.0015 0.0036 0.0036
Loa Loa (eye worm) hypothetical protein 0.0015 0.0036 0.0036
Plasmodium falciparum calcium-dependent protein kinase 3 0.0033 0.0382 0.0404
Brugia malayi Calcium/calmodulin-dependent protein kinase type II alpha chain 0.0033 0.0381 0.0487
Onchocerca volvulus 0.0098 0.1654 0.4203
Trypanosoma brucei THT1 - hexose transporter, putative 0.0033 0.039 0.8107
Brugia malayi Neurotransmitter-gated ion-channel ligand binding domain containing protein 0.0213 0.3885 0.5431
Mycobacterium leprae Possible lysyl-tRNA synthetase 2 LysX 0.0024 0.0209 0.3046
Toxoplasma gondii lysine-tRNA ligase 0.0024 0.0209 0.0308
Schistosoma mansoni Cys-loop ligand gated ion channel subunit 0.0213 0.3885 0.8964
Loa Loa (eye worm) hypothetical protein 0.0281 0.5212 0.5212
Leishmania major glucose transporter/membrane transporter D2, putative 0.0033 0.039 0.8107
Leishmania major prolyl-tRNA synthetase, putative,bifunctional aminoacyl-tRNA synthetase, putative 0.0037 0.0472 1
Schistosoma mansoni neurotransmitter gated ion channel 0.0098 0.1654 0.3767
Loa Loa (eye worm) LGC-31 protein 0.0213 0.3885 0.3885
Trypanosoma brucei glucose transporter, putative 0.0033 0.039 0.8107
Brugia malayi RNA recognition motif domain containing protein 0.0071 0.1128 0.1541
Entamoeba histolytica prolyl-tRNA synthetase, putative 0.0032 0.0369 0.0906
Trypanosoma brucei glucose transporter, putative 0.0033 0.039 0.8107
Schistosoma mansoni acetylcholine receptor subunit beta 0.0098 0.1654 0.3767
Trypanosoma brucei glucose transporter, putative 0.0033 0.039 0.8107
Plasmodium falciparum hexose transporter 0.0107 0.1827 0.2094
Leishmania major glucose transporter, lmgt2 0.0033 0.039 0.8107
Toxoplasma gondii calcium-dependent protein kinase CDPK3 0.0033 0.0382 0.0617
Schistosoma mansoni nAChR subunit 0.0213 0.3885 0.8964
Plasmodium vivax calcium-dependent protein kinase 1, putative 0.0033 0.0382 0.0404
Echinococcus granulosus tar DNA binding protein 0.0071 0.1128 0.2543
Onchocerca volvulus 0.0213 0.3885 1
Echinococcus multilocularis Basic leucine zipper (bZIP) transcription 0.0039 0.05 0.1205
Loa Loa (eye worm) hypothetical protein 0.0098 0.1654 0.1654
Echinococcus multilocularis solute carrier family 2 facilitated glucose 0.0107 0.1827 0.4654
Echinococcus granulosus calcium:calmodulin dependent protein kinase type 0.0033 0.0381 0.0804
Loa Loa (eye worm) hypothetical protein 0.0098 0.1654 0.1654
Loa Loa (eye worm) hypothetical protein 0.0098 0.1654 0.1654
Trypanosoma brucei PAB1-binding protein , putative 0.0027 0.0273 0.544
Brugia malayi acetylcholine receptor, alpha-type subunit unc-38 precursor 0.0213 0.3885 0.5431
Mycobacterium tuberculosis Lysyl-tRNA synthetase 2 LysX 0.002 0.0138 1
Schistosoma mansoni nAChR subunit 0.0213 0.3885 0.8964
Schistosoma mansoni Cys-loop ligand gated ion channel subunit 0.0213 0.3885 0.8964
Onchocerca volvulus 0.0115 0.1974 0.5036
Giardia lamblia Prolyl-tRNA synthetase 0.0032 0.0369 0.3563
Schistosoma mansoni Cys-loop ligand gated ion channel subunit 0.0213 0.3885 0.8964
Brugia malayi hypothetical protein 0.0098 0.1654 0.2282
Brugia malayi glutamate-gated chloride channel alpha3A subunit, putative 0.0098 0.1654 0.2282
Plasmodium vivax histone acetyltransferase GCN5, putative 0.0071 0.1122 0.1269
Echinococcus granulosus nicotinic acetylcholine receptor beta 1 subunit 0.0213 0.3885 0.8964
Loa Loa (eye worm) hypothetical protein 0.0115 0.1974 0.1974
Brugia malayi Cam kinase protein 1 0.0033 0.0381 0.0487
Entamoeba histolytica Flap nuclease, putative 0.0028 0.0291 0.0467
Plasmodium falciparum calcium-dependent protein kinase 5 0.0033 0.0382 0.0404
Trypanosoma cruzi hexose transporter, putative 0.0033 0.039 0.8107
Schistosoma mansoni Cys-loop ligand gated ion channel subunit 0.0115 0.1974 0.4514
Schistosoma mansoni tar DNA-binding protein 0.0071 0.1128 0.2543
Echinococcus multilocularis acetylcholine receptor subunit beta 1 0.0213 0.3885 1
Echinococcus granulosus acetylcholine receptor subunit beta 1 0.0213 0.3885 0.8964
Brugia malayi glutamate-gated chloride channel alpha3A subunit, putative 0.0115 0.1974 0.2735
Mycobacterium leprae Probable prolyl tRNA synthetase ProS 0.0032 0.0369 1
Loa Loa (eye worm) hypothetical protein 0.0015 0.0036 0.0036
Plasmodium falciparum ataxin-2 like protein, putative 0.0027 0.0273 0.0277
Loa Loa (eye worm) hypothetical protein 0.0033 0.0381 0.0381
Loa Loa (eye worm) hypothetical protein 0.0115 0.1974 0.1974
Entamoeba histolytica protein kinase, putative 0.0033 0.0381 0.0979
Loa Loa (eye worm) acetylcholine receptor alpha subunit 0.0213 0.3885 0.3885
Entamoeba histolytica hypothetical protein 0.0039 0.05 0.165
Echinococcus granulosus calcium:calmodulin dependent protein kinase type 1 0.0033 0.0381 0.0804
Echinococcus granulosus Cys loop ligand gated ion channel subunit 0.0098 0.1654 0.3767
Toxoplasma gondii flap structure-specific endonuclease 1, putative 0.0028 0.0291 0.0455
Echinococcus multilocularis flap endonuclease 1 0.0028 0.0291 0.0662
Schistosoma mansoni nAChR subunit (ShAR1-alpha-like) 0.0213 0.3885 0.8964
Toxoplasma gondii calcium-dependent protein kinase CDPK2A 0.0033 0.0382 0.0617
Loa Loa (eye worm) hypothetical protein 0.0098 0.1654 0.1654
Echinococcus granulosus glycine receptor subunit alpha 1 0.0213 0.3885 0.8964
Plasmodium vivax calcium-dependent protein kinase, putative 0.0033 0.0382 0.0404
Loa Loa (eye worm) major facilitator superfamily transporter 0.0015 0.0036 0.0036
Loa Loa (eye worm) TAR-binding protein 0.0071 0.1128 0.1128
Entamoeba histolytica acetyltransferase, GNAT family 0.0063 0.0969 0.4304
Entamoeba histolytica protein kinase, putative 0.0033 0.0381 0.0979
Loa Loa (eye worm) hypothetical protein 0.0213 0.3885 0.3885
Loa Loa (eye worm) CBP-B 0.0198 0.3601 0.3601
Trichomonas vaginalis sugar transporter, putative 0.0033 0.039 0.1973
Trichomonas vaginalis cat eye syndrome critical region protein 2, cscr2, putative 0.0071 0.1122 0.606
Entamoeba histolytica hypothetical protein 0.0039 0.05 0.165
Echinococcus granulosus gamma aminobutyric acid receptor subunit 0.0098 0.1654 0.3767
Schistosoma mansoni glucose transport protein 0.0107 0.1827 0.4171
Brugia malayi hypothetical protein 0.0098 0.1654 0.2282
Echinococcus multilocularis glycine receptor subunit beta 0.0213 0.3885 1
Onchocerca volvulus 0.0213 0.3885 1
Loa Loa (eye worm) hypothetical protein 0.0213 0.3885 0.3885
Loa Loa (eye worm) hypothetical protein 0.0098 0.1654 0.1654
Trypanosoma cruzi prolyl-tRNA synthetase, putative 0.0037 0.0472 1
Brugia malayi bifunctional aminoacyl-tRNA synthetase 0.0032 0.0369 0.0469
Echinococcus granulosus solute carrier family 2 facilitated glucose 0.0107 0.1827 0.4171
Schistosoma mansoni neurotransmitter gated ion channel 0.0115 0.1974 0.4514
Brugia malayi hypothetical protein 0.0098 0.1654 0.2282
Brugia malayi Cation transporter family protein 0.0213 0.3885 0.5431
Loa Loa (eye worm) hypothetical protein 0.0015 0.0036 0.0036
Plasmodium falciparum mitogen-activated protein kinase 2 0.0173 0.3111 0.3595
Echinococcus multilocularis calcium:calmodulin dependent protein kinase type 0.0033 0.0381 0.0897
Trichomonas vaginalis flap endonuclease-1, putative 0.0028 0.0291 0.1422
Brugia malayi Neurotransmitter-gated ion-channel transmembrane region family protein 0.0115 0.1974 0.2735
Schistosoma mansoni hypothetical protein 0.0107 0.1827 0.4171
Brugia malayi hypothetical protein 0.0018 0.0086 0.0069
Loa Loa (eye worm) hypothetical protein 0.0032 0.0369 0.0369
Echinococcus multilocularis calcium dependent protein kinase 0.0031 0.0342 0.0794
Toxoplasma gondii facilitative glucose transporter GT1 0.0107 0.1827 0.3201
Schistosoma mansoni transcription factor LCR-F1 0.0039 0.05 0.108
Echinococcus multilocularis CREB binding protein 0.0197 0.358 0.921
Leishmania major glucose transporter, lmgt3 0.0033 0.039 0.8107

Activities

Activity type Activity value Assay description Source Reference
Activity (binding) Inhibition of Vps75-stimulated recombinant Saccharomyces cerevisiae histone acetyltransferase Rtt109 assessed as H3K56 acetylated product at 125 uM after 45 mins by Slot bolt inhibiton assay ChEMBL. 25634295
Activity (binding) Inhibition of Vps75-stimulated recombinant Saccharomyces cerevisiae histone acetyltransferase Rtt109 using [3H]-acetyl-CoA assessed as acetate incorporation after 30 mins by liquid scintillation counting in presence of 1 mM DTT ChEMBL. 25634295
Activity (binding) Inhibition of yeast histone acetyltransferase Gcn5-Ada2-Ada3 complex using tetramer and [3H]-acetyl-CoA assessed as acetate incorporation after 30 mins by liquid scintillation counting in presence of 1 mM DTT ChEMBL. 25634295
Activity (binding) Inhibition of Vps75-stimulated recombinant Saccharomyces cerevisiae histone acetyltransferase Rtt109 assessed as H3K27 acetylated product at 125 uM after 45 mins by Slot bolt inhibiton assay ChEMBL. 25634295
GI50 (functional) = 4.4 uM Growth inhibition of human HT-29 cells after 2 days by MTT assay ChEMBL. 22309208
IC50 (binding) Inhibition of human Kif5C ATPase activity by pyruvate kinase/lactate dehydrogenase-linked assay ChEMBL. 22309208
IC50 (binding) Inhibition of Eg5 ATPase activity by pyruvate kinase/lactate dehydrogenase-linked assay ChEMBL. 22309208
IC50 (binding) Inhibition of Vps75-stimulated recombinant Saccharomyces cerevisiae histone acetyltransferase Rtt109 using Asf1-dH3-H4 as substrate assessed as coenzyme A production after 45 mins by CoA-based HTS counter screen assay ChEMBL. 25634295
IC50 (binding) Inhibition of human Kif5A ATPase activity by pyruvate kinase/lactate dehydrogenase-linked assay ChEMBL. 22309208
IC50 (binding) Inhibition of Vps75-stimulated recombinant Saccharomyces cerevisiae histone acetyltransferase Rtt109 using Asf1-dH3-H4 as substrate assessed as coenzyme A production after 45 mins by CPM based HTS assay ChEMBL. 25634295
IC50 (binding) = 0.15 uM Inhibition of Vps75-stimulated recombinant Saccharomyces cerevisiae histone acetyltransferase Rtt109 using [3H]-acetyl-CoA assessed as acetate incorporation after 30 mins by liquid scintillation counting ChEMBL. 25634295
IC50 (binding) = 0.66 uM Inhibition of recombinant histone acetyltransferase p300 (unknown origin) using dH3-H4 tetramer and [3H]-acetyl-CoA assessed as acetate incorporation after 30 mins by liquid scintillation counting ChEMBL. 25634295
IC50 (binding) = 1.3 uM Inhibition of yeast histone acetyltransferase Gcn5-Ada2-Ada3 complex using tetramer and [3H]-acetyl-CoA assessed as acetate incorporation after 30 mins by liquid scintillation counting ChEMBL. 25634295
IC50 (binding) = 20 uM Inhibition of recombinant STAT3 assessed as inhibition of STAT3-phosphododecapeptide interaction by SPR analysis ChEMBL. 22650325
IC50 (binding) = 73 uM Inhibition of IL6-mediated STAT3 phosphorylation in human HepG2 cells preincubated for 1 hr prior to IL6 challenge measured after 30 mins by immunoblot analysis ChEMBL. 22650325

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

3 literature references were collected for this gene.

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