Detailed information for compound 1417445

Basic information

Technical information
  • TDR Targets ID: 1417445
  • Name: [2-[4-(furan-2-carbonyl)piperazin-1-yl]-2-oxo ethyl] 4-amino-3-nitrobenzoate
  • MW: 402.358 | Formula: C18H18N4O7
  • H donors: 1 H acceptors: 5 LogP: 1.33 Rotable bonds: 8
    Rule of 5 violations (Lipinski): 1
  • SMILES: O=C(N1CCN(CC1)C(=O)c1ccco1)COC(=O)c1ccc(c(c1)[N+](=O)[O-])N
  • InChi: 1S/C18H18N4O7/c19-13-4-3-12(10-14(13)22(26)27)18(25)29-11-16(23)20-5-7-21(8-6-20)17(24)15-2-1-9-28-15/h1-4,9-10H,5-8,11,19H2
  • InChiKey: WXUHDBCJFSDGOO-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

  • [2-[4-(furan-2-carbonyl)piperazin-1-yl]-2-oxo-ethyl] 4-amino-3-nitro-benzoate
  • 4-amino-3-nitrobenzoic acid [2-[4-(2-furyl-oxomethyl)-1-piperazinyl]-2-oxoethyl] ester
  • 4-amino-3-nitro-benzoic acid [2-[4-(furan-2-carbonyl)piperazin-1-yl]-2-keto-ethyl] ester
  • [2-(4-furan-2-ylcarbonylpiperazin-1-yl)-2-oxo-ethyl] 4-amino-3-nitro-benzoate
  • MLS000392545
  • SMR000261442
  • Oprea1_526657
  • T0514-3993

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Homo sapiens K(lysine) acetyltransferase 2A Starlite/ChEMBL No references
Homo sapiens thyroid hormone receptor, beta Starlite/ChEMBL No references
Homo sapiens muscleblind-like splicing regulator 1 Starlite/ChEMBL No references
Homo sapiens GNAS complex locus Starlite/ChEMBL No references

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Schistosoma japonicum ko:K04632 guanine nucleotide binding protein (G protein), alpha stimulating, putative Get druggable targets OG5_131088 All targets in OG5_131088
Babesia bovis histone acetyltransferase Get druggable targets OG5_127781 All targets in OG5_127781
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit Get druggable targets OG5_131088 All targets in OG5_131088
Schistosoma japonicum Thyroid hormone receptor alpha, putative Get druggable targets OG5_134830 All targets in OG5_134830
Brugia malayi GTP-binding regulatory protein Gs alpha-S chain, putative Get druggable targets OG5_131088 All targets in OG5_131088
Echinococcus granulosus muscleblind protein Get druggable targets OG5_132352 All targets in OG5_132352
Theileria parva histone acetyltransferase Gcn5, putative 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
Schistosoma japonicum expressed protein Get druggable targets OG5_134830 All targets in OG5_134830
Schistosoma mansoni thyroid hormone receptor Get druggable targets OG5_134830 All targets in OG5_134830
Echinococcus granulosus guanine nucleotide binding protein Gs subunit Get druggable targets OG5_131088 All targets in OG5_131088
Schistosoma japonicum Thyroid hormone receptor alpha, putative Get druggable targets OG5_134830 All targets in OG5_134830
Echinococcus multilocularis muscleblind protein Get druggable targets OG5_132352 All targets in OG5_132352
Trichomonas vaginalis bromodomain-containing protein, putative Get druggable targets OG5_127781 All targets in OG5_127781
Neospora caninum hypothetical protein Get druggable targets OG5_127781 All targets in OG5_127781
Schistosoma mansoni thyroid hormone receptor Get druggable targets OG5_134830 All targets in OG5_134830
Candida albicans bromodomain protein similar to S. cerevisiae GCN5 (YGR252W) histone acetyltransferase Get druggable targets OG5_127781 All targets in OG5_127781
Echinococcus multilocularis muscleblind protein 1 Get druggable targets OG5_132352 All targets in OG5_132352
Schistosoma japonicum ko:K08362 nuclear receptor, subfamily 1, group A, member 2, putative Get druggable targets OG5_134830 All targets in OG5_134830
Schistosoma mansoni gcn5proteinral control of amino-acid synthesis 5-like 2 gcnl2 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
Plasmodium vivax histone acetyltransferase GCN5, putative 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
Schistosoma japonicum ko:K06062 p300/CBP-associated factor, putative Get druggable targets OG5_127781 All targets in OG5_127781
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_132352 All targets in OG5_132352
Loa Loa (eye worm) 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 multilocularis guanine nucleotide binding protein G(s) subunit Get druggable targets OG5_131088 All targets in OG5_131088
Plasmodium knowlesi histone acetyltransferase GCN5, putative Get druggable targets OG5_127781 All targets in OG5_127781
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
Cryptosporidium parvum GCN5 like acetylase + bromodomain 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
Echinococcus multilocularis thyroid hormone receptor alpha Get druggable targets OG5_134830 All targets in OG5_134830
Toxoplasma gondii histone lysine acetyltransferase GCN5-A 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
Brugia malayi acetyltransferase, GNAT family protein Get druggable targets OG5_127781 All targets in OG5_127781
Toxoplasma gondii histone lysine acetyltransferase GCN5-B 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 granulosus guanine nucleotide binding protein Gs subunit 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
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
Plasmodium yoelii histone acetyltransferase GCN5-related Get druggable targets OG5_127781 All targets in OG5_127781
Trichomonas vaginalis cat eye syndrome critical region protein 2, cscr2, putative Get druggable targets OG5_127781 All targets in OG5_127781
Giardia lamblia Histone acetyltransferase GCN5 Get druggable targets OG5_127781 All targets in OG5_127781
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_132352 All targets in OG5_132352
Schistosoma mansoni hypothetical protein Get druggable targets OG5_134830 All targets in OG5_134830
Echinococcus multilocularis Mitotic checkpoint protein PRCC, C terminal Get druggable targets OG5_134830 All targets in OG5_134830
Cryptosporidium hominis histone acetyltransferase 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
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
Loa Loa (eye worm) GTP-binding regulatory protein Gs alpha-S chain Get druggable targets OG5_131088 All targets in OG5_131088
Echinococcus granulosus Mitotic checkpoint protein PRCC C terminal Get druggable targets OG5_134830 All targets in OG5_134830
By sequence similarity to non orthologous known druggable targets
Species Potential target Known druggable target Length Alignment span Identity
Brugia malayi photoreceptor-specific nuclear receptor thyroid hormone receptor, beta 461 aa 414 aa 24.6 %
Schistosoma mansoni GTP-binding protein alpha subunit gna GNAS complex locus 394 aa 450 aa 28.7 %
Obtained from network model

Ranking Plot

Putative Targets List

Species Potential target Raw Global Species
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0187 0.2488 0.9643
Loa Loa (eye worm) methionyl-tRNA synthetase 0.0056 0.0624 0.0864
Entamoeba histolytica acetyltransferase, GNAT family 0.0047 0.0498 1
Plasmodium falciparum methionine--tRNA ligase 0.0056 0.0624 0.6174
Trypanosoma cruzi PAB1-binding protein , putative 0.008 0.0958 0.6546
Schistosoma mansoni hypothetical protein 0.0164 0.2167 0.4437
Trypanosoma cruzi methionyl-tRNA synthetase, putative 0.0056 0.0624 0.4042
Echinococcus granulosus Mitotic checkpoint protein PRCC C terminal 0.0152 0.199 0.7714
Trichomonas vaginalis penicillin-binding protein, putative 0.0112 0.1419 1
Trichomonas vaginalis esterase, putative 0.0112 0.1419 1
Trichomonas vaginalis D-aminoacylase, putative 0.0112 0.1419 1
Loa Loa (eye worm) hypothetical protein 0.0355 0.4883 0.676
Brugia malayi RNA recognition motif domain containing protein 0.0193 0.258 0.3572
Echinococcus multilocularis muscleblind protein 0.018 0.2394 0.9279
Brugia malayi acetyltransferase, GNAT family protein 0.0175 0.2318 0.3209
Echinococcus multilocularis tar DNA binding protein 0.0193 0.258 1
Toxoplasma gondii methionyl-tRNA synthetase 0.0056 0.0624 0.4042
Echinococcus granulosus TGF beta signal transducer SmadC 0.0018 0.0086 0.0331
Echinococcus multilocularis leucyl tRNA synthetase 0.0021 0.0131 0.0507
Echinococcus granulosus muscleblind protein 0.018 0.2394 0.9279
Mycobacterium leprae Probable lipase LipE 0.0112 0.1419 1
Loa Loa (eye worm) exodeoxyribonuclease III family protein 0.0018 0.0085 0.0118
Plasmodium falciparum methionine--tRNA ligase, putative 0.0021 0.0131 0.0526
Loa Loa (eye worm) beta-LACTamase domain containing family member 0.0112 0.1419 0.1964
Entamoeba histolytica methionyl-tRNA synthetase, putative 0.0021 0.0131 0.1111
Echinococcus granulosus beta LACTamase domain containing family member 0.0112 0.1419 0.5498
Leishmania major methionyl-tRNA synthetase, putative 0.0056 0.0624 0.4042
Loa Loa (eye worm) pigment dispersing factor receptor c 0.052 0.7223 1
Leishmania major leucyl-tRNA synthetase, putative 0.0021 0.0131 0.0344
Mycobacterium tuberculosis Probable esterase LipL 0.0112 0.1419 0.1345
Schistosoma mansoni family S12 unassigned peptidase (S12 family) 0.0112 0.1419 0.2905
Loa Loa (eye worm) latrophilin receptor protein 2 0.0164 0.2167 0.3
Brugia malayi Smad1 0.0018 0.0086 0.0118
Chlamydia trachomatis methionine--tRNA ligase 0.0021 0.0131 0.5
Loa Loa (eye worm) RNA binding protein 0.0193 0.258 0.3572
Brugia malayi MH2 domain containing protein 0.0018 0.0086 0.0118
Echinococcus granulosus methionyl tRNA synthetase cytoplasmic 0.0021 0.0131 0.0507
Echinococcus granulosus smad 0.0018 0.0086 0.0331
Echinococcus multilocularis gcn5proteinral control of amino acid synthesis 0.0175 0.2318 0.8983
Loa Loa (eye worm) hypothetical protein 0.0112 0.1419 0.1964
Mycobacterium ulcerans fusion of enoyl-CoA hydratase, EchA21 and lipase, LipE 0.0112 0.1419 1
Brugia malayi latrophilin 2 splice variant baaae 0.0355 0.4883 0.676
Brugia malayi hypothetical protein 0.0051 0.0557 0.0771
Schistosoma mansoni TGF-beta signal transducer Smad2 0.0018 0.0086 0.0175
Echinococcus multilocularis diuretic hormone 44 receptor GPRdih2 0.0164 0.2167 0.8398
Echinococcus granulosus GPCR family 2 0.0164 0.2167 0.8398
Echinococcus multilocularis Smad4 0.0018 0.0086 0.0331
Schistosoma mansoni tar DNA-binding protein 0.0193 0.258 0.5284
Echinococcus granulosus Ataxin 2 N terminaldomain containing protein 0.0036 0.0334 0.1294
Echinococcus granulosus DNA apurinic or apyrimidinic site lyase 0.0018 0.0085 0.0329
Brugia malayi beta-lactamase family protein 0.0112 0.1419 0.1964
Toxoplasma gondii tRNA ligases class I (M) protein 0.0021 0.0131 0.0344
Schistosoma mansoni smad 0.0018 0.0086 0.0175
Mycobacterium ulcerans hypothetical protein 0.0112 0.1419 1
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0187 0.2488 0.5096
Loa Loa (eye worm) TAR-binding protein 0.0193 0.258 0.3572
Schistosoma mansoni leucyl-tRNA synthetase 0.0021 0.0131 0.0268
Echinococcus granulosus tar DNA binding protein 0.0193 0.258 1
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0187 0.2488 0.9643
Schistosoma mansoni smad1 5 8 and 0.0018 0.0086 0.0175
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0187 0.2488 0.9643
Plasmodium vivax methionine--tRNA ligase, putative 0.0021 0.0131 0.0344
Schistosoma mansoni hypothetical protein 0.0036 0.0334 0.0684
Brugia malayi MH1 domain containing protein 0.0018 0.0086 0.0118
Schistosoma mansoni ap endonuclease 0.0018 0.0085 0.0174
Schistosoma mansoni methionine-tRNA synthetase 0.0021 0.0131 0.0268
Onchocerca volvulus 0.0112 0.1419 1
Mycobacterium tuberculosis Probable esterase/lipase LipP 0.0112 0.1419 0.1345
Mycobacterium tuberculosis Possible conserved lipoprotein LpqK 0.0112 0.1419 0.1345
Schistosoma mansoni tar DNA-binding protein 0.0193 0.258 0.5284
Brugia malayi MH2 domain containing protein 0.0018 0.0086 0.0118
Plasmodium falciparum ataxin-2 like protein, putative 0.008 0.0958 1
Mycobacterium leprae conserved hypothetical protein 0.0112 0.1419 1
Wolbachia endosymbiont of Brugia malayi methionyl-tRNA synthetase 0.0056 0.0624 1
Loa Loa (eye worm) GTP-binding regulatory protein Gs alpha-S chain 0.0187 0.2488 0.3445
Brugia malayi protein ZK524.3 0.0021 0.0131 0.0181
Echinococcus multilocularis DNA (apurinic or apyrimidinic site) lyase 0.0018 0.0085 0.0329
Loa Loa (eye worm) acetyltransferase 0.0175 0.2318 0.3209
Schistosoma mansoni tar DNA-binding protein 0.0193 0.258 0.5284
Loa Loa (eye worm) hypothetical protein 0.018 0.2394 0.3314
Brugia malayi Calcitonin receptor-like protein seb-1 0.052 0.7223 1
Schistosoma mansoni smad1 5 8 and 0.0018 0.0086 0.0175
Loa Loa (eye worm) hypothetical protein 0.008 0.0958 0.1326
Mycobacterium tuberculosis Methionyl-tRNA synthetase MetS (MetRS) (methionine--tRNA ligase) 0.0056 0.0624 0.0544
Toxoplasma gondii histone lysine acetyltransferase GCN5-B 0.0051 0.0559 0.3554
Plasmodium falciparum ataxin-2 like protein, putative 0.008 0.0958 1
Echinococcus multilocularis GPCR, family 2 0.0164 0.2167 0.8398
Mycobacterium tuberculosis Conserved protein 0.0112 0.1419 0.1345
Loa Loa (eye worm) Smad1 0.0018 0.0086 0.0118
Schistosoma mansoni methionine-tRNA synthetase 0.0056 0.0624 0.1278
Trypanosoma brucei PAB1-binding protein , putative 0.008 0.0958 0.6546
Loa Loa (eye worm) hypothetical protein 0.018 0.2394 0.3314
Brugia malayi methionyl-tRNA synthetase 0.0021 0.0131 0.0181
Plasmodium vivax ataxin-2 like protein, putative 0.008 0.0958 0.6546
Mycobacterium tuberculosis Probable lipase LipD 0.0112 0.1419 0.1345
Schistosoma mansoni smad1 5 8 and 0.0018 0.0086 0.0175
Schistosoma mansoni ap endonuclease 0.0018 0.0085 0.0174
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0187 0.2488 0.9643
Mycobacterium ulcerans esterase/lipase LipP 0.0112 0.1419 1
Loa Loa (eye worm) hypothetical protein 0.0112 0.1419 0.1964
Trichomonas vaginalis penicillin-binding protein, putative 0.0112 0.1419 1
Echinococcus multilocularis Mitotic checkpoint protein PRCC, C terminal 0.0152 0.199 0.7714
Mycobacterium ulcerans lipase LipD 0.0112 0.1419 1
Giardia lamblia Methionyl-tRNA synthetase 0.0056 0.0624 1
Brugia malayi methionyl-tRNA synthetase 0.0056 0.0624 0.0864
Trichomonas vaginalis methionine-tRNA synthetase, putative 0.0056 0.0624 0.4042
Brugia malayi exodeoxyribonuclease III family protein 0.0018 0.0085 0.0118
Toxoplasma gondii LsmAD domain-containing protein 0.008 0.0958 0.6546
Giardia lamblia Leucyl-tRNA synthetase 0.0021 0.0131 0.0851
Giardia lamblia Histone acetyltransferase GCN5 0.0047 0.0498 0.7661
Plasmodium vivax hypothetical protein, conserved 0.0112 0.1419 1
Leishmania major hypothetical protein, conserved 0.008 0.0958 0.6546
Echinococcus multilocularis cadherin EGF LAG seven pass G type receptor 0.0164 0.2167 0.8398
Loa Loa (eye worm) hypothetical protein 0.0021 0.0131 0.0181
Brugia malayi calcium-independent alpha-latrotoxin receptor 2, putative 0.0164 0.2167 0.3
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0187 0.2488 0.5096
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0187 0.2488 0.5096
Loa Loa (eye worm) hypothetical protein 0.0021 0.0131 0.0181
Loa Loa (eye worm) MH1 domain-containing protein 0.0018 0.0086 0.0118
Mycobacterium ulcerans beta-lactamase 0.0112 0.1419 1
Brugia malayi MH2 domain containing protein 0.0267 0.3631 0.5027
Brugia malayi Muscleblind-like protein 0.018 0.2394 0.3314
Schistosoma mansoni hypothetical protein 0.0164 0.2167 0.4437
Trypanosoma brucei hypothetical protein, conserved 0.0112 0.1419 1
Schistosoma mansoni tar DNA-binding protein 0.0193 0.258 0.5284
Echinococcus granulosus mothers against decapentaplegic 5 0.0018 0.0086 0.0331
Plasmodium vivax methionine--tRNA ligase, putative 0.0056 0.0624 0.4042
Mycobacterium ulcerans leucyl-tRNA synthetase 0.0021 0.0131 0.0344
Brugia malayi TAR-binding protein 0.0193 0.258 0.3572
Trichomonas vaginalis D-aminoacylase, putative 0.0112 0.1419 1
Brugia malayi hypothetical protein 0.008 0.0958 0.1326
Onchocerca volvulus 0.0112 0.1419 1
Schistosoma mansoni hypothetical protein 0.0164 0.2167 0.4437
Brugia malayi Hypothetical 52.5 kDa protein ZK945.1 in chromosome II, putative 0.0112 0.1419 0.1964
Echinococcus multilocularis Ataxin 2, N terminal,domain containing protein 0.0036 0.0334 0.1294
Plasmodium vivax hypothetical protein, conserved 0.0021 0.0131 0.0344
Loa Loa (eye worm) hypothetical protein 0.0164 0.2167 0.3
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.052 0.7223 1
Brugia malayi RNA binding protein 0.0193 0.258 0.3572
Schistosoma mansoni hypothetical protein 0.0355 0.4883 1
Echinococcus granulosus cadherin EGF LAG seven pass G type receptor 0.0164 0.2167 0.8398
Mycobacterium tuberculosis Conserved protein 0.0112 0.1419 0.1345
Trichomonas vaginalis D-aminoacylase, putative 0.0112 0.1419 1
Schistosoma mansoni tar DNA-binding protein 0.0193 0.258 0.5284
Treponema pallidum leucyl-tRNA synthetase 0.0021 0.0131 1
Toxoplasma gondii ABC1 family protein 0.0112 0.1419 1
Loa Loa (eye worm) RNA recognition domain-containing protein domain-containing protein 0.0193 0.258 0.3572
Echinococcus multilocularis TGF beta signal transducer SmadC 0.0018 0.0086 0.0331
Echinococcus granulosus methionine tRNA synthetase 0.0056 0.0624 0.2418
Schistosoma mansoni hypothetical protein 0.0164 0.2167 0.4437
Brugia malayi beta-lactamase family protein 0.0112 0.1419 0.1964
Plasmodium falciparum histone acetyltransferase GCN5 0.0047 0.0498 0.4731
Loa Loa (eye worm) MH2 domain-containing protein 0.0018 0.0086 0.0118
Echinococcus multilocularis mothers against decapentaplegic 5 0.0018 0.0086 0.0331
Echinococcus granulosus histone acetyltransferase KAT2B 0.0051 0.0559 0.2166
Schistosoma mansoni hypothetical protein 0.0152 0.199 0.4076
Loa Loa (eye worm) hypothetical protein 0.0112 0.1419 0.1964
Wolbachia endosymbiont of Brugia malayi leucyl-tRNA synthetase 0.0021 0.0131 0.0851
Echinococcus multilocularis methionyl tRNA synthetase, cytoplasmic 0.0021 0.0131 0.0507
Trypanosoma cruzi PAB1-binding protein , putative 0.008 0.0958 0.6546
Plasmodium vivax histone acetyltransferase GCN5, putative 0.0051 0.0559 0.3554
Toxoplasma gondii histone lysine acetyltransferase GCN5-A 0.0051 0.0559 0.3554
Brugia malayi beta-lactamase 0.0112 0.1419 0.1964
Onchocerca volvulus 0.0112 0.1419 1
Treponema pallidum methionyl-tRNA synthetase 0.0021 0.0131 1
Trypanosoma brucei methionyl-tRNA synthetase, putative 0.0056 0.0624 0.4042
Mycobacterium tuberculosis Probable conserved lipoprotein 0.0112 0.1419 0.1345
Echinococcus granulosus Smad4 0.0018 0.0086 0.0331
Echinococcus granulosus diuretic hormone 44 receptor GPRdih2 0.0164 0.2167 0.8398
Brugia malayi Latrophilin receptor protein 2 0.0164 0.2167 0.3
Chlamydia trachomatis leucine--tRNA ligase 0.0021 0.0131 0.5
Onchocerca volvulus 0.0035 0.0319 0.2252
Echinococcus multilocularis beta LACTamase domain containing family member 0.0112 0.1419 0.5498
Loa Loa (eye worm) beta-lactamase 0.0112 0.1419 0.1964
Schistosoma mansoni family S12 unassigned peptidase (S12 family) 0.0112 0.1419 0.2905
Echinococcus multilocularis muscleblind protein 1 0.018 0.2394 0.9279
Schistosoma mansoni gcn5proteinral control of amino-acid synthesis 5-like 2 gcnl2 0.0175 0.2318 0.4747
Trichomonas vaginalis cat eye syndrome critical region protein 2, cscr2, putative 0.0051 0.0559 0.3554
Echinococcus multilocularis methionine tRNA synthetase 0.0056 0.0624 0.2418
Loa Loa (eye worm) hypothetical protein 0.0112 0.1419 0.1964
Loa Loa (eye worm) transcription factor SMAD2 0.0267 0.3631 0.5027
Loa Loa (eye worm) hypothetical protein 0.052 0.7223 1
Schistosoma mansoni thyroid hormone receptor 0.0164 0.2164 0.4432
Trypanosoma cruzi hypothetical protein, conserved 0.0112 0.1419 1
Mycobacterium tuberculosis Conserved protein 0.0112 0.1419 0.1345
Echinococcus granulosus histone acetyltransferase KAT2B 0.017 0.2248 0.8712
Loa Loa (eye worm) hypothetical protein 0.0112 0.1419 0.1964
Mycobacterium tuberculosis Probable hydrolase 0.0112 0.1419 0.1345
Loa Loa (eye worm) hypothetical protein 0.0112 0.1419 0.1964
Trypanosoma cruzi hypothetical protein, conserved 0.0112 0.1419 1
Leishmania major hypothetical protein, conserved 0.0112 0.1419 1
Echinococcus multilocularis thyroid hormone receptor alpha 0.0164 0.2164 0.8387
Trichomonas vaginalis bromodomain-containing protein, putative 0.0051 0.0559 0.3554
Brugia malayi MH1 domain containing protein 0.0018 0.0086 0.0118
Schistosoma mansoni Smad4 0.0018 0.0086 0.0175
Echinococcus multilocularis smad 0.0018 0.0086 0.0331
Schistosoma mansoni thyroid hormone receptor 0.0164 0.2164 0.4432
Mycobacterium tuberculosis Probable lipase LipE 0.0112 0.1419 0.1345
Loa Loa (eye worm) MH2 domain-containing protein 0.0267 0.3631 0.5027
Loa Loa (eye worm) tyrosyl-tRNA synthetase 0.0035 0.0319 0.0442
Mycobacterium ulcerans methionyl-tRNA synthetase 0.0056 0.0624 0.4042
Loa Loa (eye worm) hypothetical protein 0.0021 0.0131 0.0181
Brugia malayi GTP-binding regulatory protein Gs alpha-S chain, putative 0.0187 0.2488 0.3445

Activities

Activity type Activity value Assay description Source Reference
Potency (functional) = 0.1585 um PUBCHEM_BIOASSAY: Total Fluorescence Counterscreen for Inhibitors of the Interaction of Thyroid Hormone Receptor and Steroid Receptor Coregulator 2. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 0.3981 uM PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of GCN5L2. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID504398] ChEMBL. No reference
Potency (functional) 2.8184 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 (binding) 11.2202 uM PubChem BioAssay. qHTS Assay for Inhibitors of MBNL1-poly(CUG) RNA binding. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 29.0929 uM PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of RanGTP induced Rango (Ran-regulated importin-beta cargo) - Importin beta complex dissociation. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID540262] ChEMBL. No reference
Potency (functional) 89.1251 uM PUBCHEM_BIOASSAY: qHTS for Inhibitors of Polymerase Iota. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID588623] ChEMBL. No reference

Phenotypes

Whole-cell/tissue/organism interactions

We have no records of whole-cell/tissue assays done with this compound What does this mean?

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

Annotated phenotypes:

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

Bibliographic References

No literature references available for this target.

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