Detailed information for compound 1456864

Basic information

Technical information
  • TDR Targets ID: 1456864
  • Name: N-tert-butyl-2-[(5-chloro-2-methoxyphenyl)-(4 -methyl-3-nitrophenyl)sulfonylamino]acetamide
  • MW: 469.939 | Formula: C20H24ClN3O6S
  • H donors: 1 H acceptors: 5 LogP: 3.75 Rotable bonds: 9
    Rule of 5 violations (Lipinski): 1
  • SMILES: COc1ccc(cc1N(S(=O)(=O)c1ccc(c(c1)[N+](=O)[O-])C)CC(=O)NC(C)(C)C)Cl
  • InChi: 1S/C20H24ClN3O6S/c1-13-6-8-15(11-16(13)24(26)27)31(28,29)23(12-19(25)22-20(2,3)4)17-10-14(21)7-9-18(17)30-5/h6-11H,12H2,1-5H3,(H,22,25)
  • InChiKey: NLTJHYFSIUKTOO-UHFFFAOYSA-N  


Substructure search Similarity search

Network

Hover on a compound node to display the structore

Synonyms

  • N-tert-butyl-2-[(5-chloro-2-methoxy-phenyl)-(4-methyl-3-nitro-phenyl)sulfonyl-amino]acetamide
  • N-tert-butyl-2-[(5-chloro-2-methoxy-phenyl)-(4-methyl-3-nitro-phenyl)sulfonyl-amino]ethanamide
  • ZINC08426673
  • AG-690/12408631
  • MLS000555049
  • N-tert-Butyl-2-[(5-chloro-2-methoxy-phenyl)-(4-methyl-3-nitro-benzenesulfonyl)-amino]-acetamide
  • SMR000172051
  • BAS 01980721

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Sus scrofa Calpain 2 Starlite/ChEMBL No references
Homo sapiens GNAS complex locus Starlite/ChEMBL No references
Homo sapiens neuropeptide S receptor 1 Starlite/ChEMBL No references

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Loa Loa (eye worm) calpain family protein 1 Get druggable targets OG5_127139 All targets in OG5_127139
Schistosoma japonicum IPR000276,Rhodopsin-like GPCR superfamily,domain-containing Get druggable targets OG5_136011 All targets in OG5_136011
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 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 multilocularis calpain A Get druggable targets OG5_127139 All targets in OG5_127139
Schistosoma japonicum Calpain-1 catalytic subunit, putative Get druggable targets OG5_127139 All targets in OG5_127139
Schistosoma japonicum ko:K04632 guanine nucleotide binding protein (G protein), alpha stimulating, putative Get druggable targets OG5_131088 All targets in OG5_131088
Brugia malayi calpain family protein 1 Get druggable targets OG5_127139 All targets in OG5_127139
Echinococcus multilocularis neuropeptide s receptor Get druggable targets OG5_136011 All targets in OG5_136011
Echinococcus granulosus family C2 unassigned peptidase C02 family Get druggable targets OG5_127139 All targets in OG5_127139
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 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
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 calpain A Get druggable targets OG5_127139 All targets in OG5_127139
Schistosoma mansoni family C2 unassigned peptidase (C02 family) Get druggable targets OG5_127139 All targets in OG5_127139
Echinococcus multilocularis calpain family protein 1, d Get druggable targets OG5_127139 All targets in OG5_127139
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_127139 All targets in OG5_127139
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 guanine nucleotide binding protein G(s) subunit Get druggable targets OG5_131088 All targets in OG5_131088
Schistosoma mansoni family C2 unassigned peptidase (C02 family) Get druggable targets OG5_127139 All targets in OG5_127139
Echinococcus granulosus neuropeptide receptor A26 Get druggable targets OG5_136011 All targets in OG5_136011
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_127139 All targets in OG5_127139
Schistosoma mansoni family C2 unassigned peptidase (C02 family) Get druggable targets OG5_127139 All targets in OG5_127139
Schistosoma japonicum ko:K08585 calpain, invertebrate, putative Get druggable targets OG5_127139 All targets in OG5_127139
Loa Loa (eye worm) calpain family protein 1 Get druggable targets OG5_127139 All targets in OG5_127139
Onchocerca volvulus Get druggable targets OG5_127139 All targets in OG5_127139
Schistosoma japonicum Calpain-A, putative Get druggable targets OG5_127139 All targets in OG5_127139
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_127139 All targets in OG5_127139
Echinococcus multilocularis family C2 unassigned peptidase (C02 family) Get druggable targets OG5_127139 All targets in OG5_127139
Echinococcus multilocularis neuropeptide receptor A26 Get druggable targets OG5_136011 All targets in OG5_136011
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) Get druggable targets OG5_131088 All targets in OG5_131088
Brugia malayi GTP-binding regulatory protein Gs alpha-S chain, putative Get druggable targets OG5_131088 All targets in OG5_131088
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_127139 All targets in OG5_127139
Echinococcus granulosus neuropeptide s receptor Get druggable targets OG5_136011 All targets in OG5_136011
Brugia malayi calpain family protein 1 Get druggable targets OG5_127139 All targets in OG5_127139
By sequence similarity to non orthologous known druggable targets
Species Potential target Known druggable target Length Alignment span Identity
Schistosoma mansoni calpain (C02 family) Calpain 2   324 aa 318 aa 24.2 %
Echinococcus multilocularis hypothetical protein Calpain 2   324 aa 297 aa 27.9 %
Schistosoma japonicum Calpain-9, putative Calpain 2   324 aa 275 aa 27.6 %
Echinococcus granulosus calpain Calpain 2   324 aa 322 aa 31.7 %
Schistosoma mansoni GTP-binding protein alpha subunit gna GNAS complex locus 394 aa 450 aa 28.7 %
Schistosoma mansoni calpain C (C02 family) Calpain 2   324 aa 319 aa 27.3 %
Echinococcus granulosus calpain A Calpain 2   324 aa 297 aa 27.6 %
Plasmodium vivax hypothetical protein, conserved Calpain 2   324 aa 277 aa 19.9 %
Echinococcus multilocularis calpain Calpain 2   324 aa 320 aa 31.9 %
Obtained from network model

Ranking Plot

Putative Targets List

Species Potential target Raw Global Species
Echinococcus multilocularis conserved hypothetical protein 0.0055 0.0088 0.0293
Schistosoma mansoni tar DNA-binding protein 0.0723 0.2995 0.5517
Toxoplasma gondii LsmAD domain-containing protein 0.0192 0.0682 0.3386
Echinococcus granulosus COUP TF:Svp nuclear hormone receptor 0.0558 0.2277 0.7604
Echinococcus multilocularis NADP dependent isocitrate dehydrogenase 0.0413 0.1646 0.5497
Schistosoma mansoni FTZ-F1 nuclear receptor-like protein 0.0075 0.0172 0.0316
Echinococcus granulosus hepatocyte nuclear factor 4 alpha 0.0075 0.0172 0.0573
Brugia malayi Nuclear hormone receptor family member nhr-19 0.0075 0.0172 0.0172
Schistosoma mansoni smad 0.0071 0.0156 0.0287
Loa Loa (eye worm) MH2 domain-containing protein 0.2331 1 1
Plasmodium falciparum isocitrate dehydrogenase [NADP], mitochondrial 0.0413 0.1646 1
Echinococcus granulosus Smad4 0.0159 0.0539 0.1799
Loa Loa (eye worm) hypothetical protein 0.0075 0.0172 0.0172
Echinococcus granulosus diuretic hormone 44 receptor GPRdih2 0.0593 0.243 0.8115
Loa Loa (eye worm) isocitrate dehydrogenase 0.0413 0.1646 0.1646
Loa Loa (eye worm) TAR-binding protein 0.0723 0.2995 0.2995
Mycobacterium ulcerans ATP-dependent Clp protease proteolytic subunit 0.0079 0.0189 1
Brugia malayi MH1 domain containing protein 0.0088 0.0229 0.0229
Brugia malayi RNA binding protein 0.0723 0.2995 0.2995
Loa Loa (eye worm) hypothetical protein 0.0075 0.0172 0.0172
Brugia malayi calpain family protein 1 0.0078 0.0186 0.0186
Brugia malayi Probable isocitrate dehydrogenase 0.005 0.0065 0.0065
Brugia malayi Nuclear hormone receptor-like 1 0.0039 0.0018 0.0018
Brugia malayi Nuclear hormone receptor family member nhr-40 0.0075 0.0172 0.0172
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0055 0.0087 0.0161
Echinococcus granulosus glycosyltransferase protein LARGE2 0.0072 0.0161 0.0539
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0055 0.0087 0.0161
Loa Loa (eye worm) TK/ABL protein kinase 0.0695 0.2872 0.2872
Echinococcus granulosus ecdysone induced protein 78C 0.0075 0.0172 0.0573
Loa Loa (eye worm) hypothetical protein 0.0075 0.0172 0.0172
Echinococcus granulosus nuclear receptor 2DBD gamma 0.0075 0.0172 0.0573
Echinococcus multilocularis mothers against decapentaplegic 5 0.0159 0.0539 0.1799
Schistosoma mansoni hypothetical protein 0.1281 0.5428 1
Brugia malayi Nuclear hormone receptor family member nhr-49 0.0075 0.0172 0.0172
Loa Loa (eye worm) nuclear hormone receptor family member nhr-14 0.0075 0.0172 0.0172
Loa Loa (eye worm) hypothetical protein 0.0075 0.0172 0.0172
Brugia malayi hypothetical protein 0.0039 0.0018 0.0018
Loa Loa (eye worm) hypothetical protein 0.0039 0.0018 0.0018
Loa Loa (eye worm) RNA binding protein 0.0723 0.2995 0.2995
Echinococcus multilocularis COUP TF:Svp nuclear hormone receptor 0.0558 0.2277 0.7604
Brugia malayi MH2 domain containing protein 0.0159 0.0539 0.0539
Plasmodium vivax ataxin-2 like protein, putative 0.0192 0.0682 0.3386
Echinococcus multilocularis NADP dependent isocitrate dehydrogenase 0.0413 0.1646 0.5497
Schistosoma mansoni Smad4 0.0071 0.0156 0.0287
Echinococcus granulosus neuropeptide s receptor 0.0561 0.229 0.7648
Mycobacterium tuberculosis Probable ATP-dependent CLP protease proteolytic subunit 2 ClpP2 (endopeptidase CLP 2) 0.0051 0.0071 0.0036
Echinococcus granulosus Glycosyltransferase protein LARGE1 0.0055 0.0088 0.0293
Leishmania major isocitrate dehydrogenase [NADP], mitochondrial precursor, putative 0.0413 0.1646 1
Plasmodium vivax isocitrate dehydrogenase [NADP], mitochondrial, putative 0.0413 0.1646 1
Echinococcus multilocularis nuclear receptor 2DBD gamma 0.0075 0.0172 0.0573
Loa Loa (eye worm) hypothetical protein 0.0079 0.0189 0.0189
Loa Loa (eye worm) hypothetical protein 0.0192 0.0682 0.0682
Echinococcus granulosus calpain A 0.0082 0.0203 0.0678
Schistosoma mansoni unc-13 (munc13) 0.005 0.0065 0.012
Schistosoma mansoni TGF-beta signal transducer Smad2 0.0159 0.0539 0.0992
Echinococcus granulosus ATP dependent Clp protease proteolytic subunit 0.0079 0.0189 0.063
Loa Loa (eye worm) MH2 domain-containing protein 0.0071 0.0156 0.0156
Brugia malayi MH1 domain containing protein 0.0159 0.0539 0.0539
Brugia malayi Nuclear hormone receptor-like 1 0.0075 0.0172 0.0172
Schistosoma mansoni Smad4 0.0159 0.0539 0.0992
Brugia malayi MH2 domain containing protein 0.0071 0.0156 0.0156
Schistosoma mansoni nuclear hormone receptor nor-1/nor-2 0.0075 0.0172 0.0316
Schistosoma mansoni retinoic acid receptor RXR 0.0075 0.0172 0.0316
Echinococcus multilocularis diuretic hormone 44 receptor GPRdih2 0.0593 0.243 0.8115
Brugia malayi Probable isocitrate dehydrogenase 0.005 0.0065 0.0065
Echinococcus multilocularis Glycosyl transferase, family 8 0.0075 0.0172 0.0573
Loa Loa (eye worm) nuclear hormone receptor-like 1 0.0039 0.0018 0.0018
Schistosoma mansoni isocitrate dehydrogenase 0.005 0.0065 0.012
Brugia malayi Nuclear hormone receptor family member nhr-25 0.0075 0.0172 0.0172
Brugia malayi isocitrate dehydrogenase [NAD] subunit beta, mitochondrial 0.005 0.0065 0.0065
Echinococcus granulosus mothers against decapentaplegic 5 0.0159 0.0539 0.1799
Loa Loa (eye worm) MH1 domain-containing protein 0.0071 0.0156 0.0156
Echinococcus multilocularis NADP dependent isocitrate dehydrogenase 0.0413 0.1646 0.5497
Schistosoma mansoni nuclear receptor 2DBD-gamma 0.0075 0.0172 0.0316
Echinococcus multilocularis tyrosine protein kinase ABL1 0.0695 0.2872 0.9589
Brugia malayi hypothetical protein 0.0124 0.0386 0.0386
Echinococcus multilocularis Glycosyltransferase protein LARGE1 0.0055 0.0088 0.0293
Loa Loa (eye worm) MH1 domain-containing protein 0.0159 0.0539 0.0539
Toxoplasma gondii isocitrate dehydrogenase 0.0413 0.1646 1
Brugia malayi Ligand-binding domain of nuclear hormone receptor family protein 0.0075 0.0172 0.0172
Echinococcus multilocularis peptidase Clp (S14 family) 0.0051 0.0071 0.0237
Trypanosoma brucei isocitrate dehydrogenase, putative 0.0413 0.1646 1
Echinococcus multilocularis neuropeptide s receptor 0.0561 0.229 0.7648
Brugia malayi RNA recognition motif domain containing protein 0.0723 0.2995 0.2995
Loa Loa (eye worm) hypothetical protein 0.0039 0.0018 0.0018
Brugia malayi Ligand-binding domain of nuclear hormone receptor family protein 0.0075 0.0172 0.0172
Trypanosoma cruzi isocitrate dehydrogenase, putative 0.0413 0.1646 1
Brugia malayi nuclear receptor RXR 0.0039 0.0018 0.0018
Schistosoma mansoni peptidase Clp (S14 family) 0.0079 0.0189 0.0348
Loa Loa (eye worm) nuclear hormone receptor family member nhr-31 0.0075 0.0172 0.0172
Schistosoma mansoni tar DNA-binding protein 0.0723 0.2995 0.5517
Loa Loa (eye worm) hypothetical protein 0.1875 0.8011 0.8011
Echinococcus multilocularis neuropeptide receptor A26 0.0561 0.229 0.7648
Brugia malayi TAR-binding protein 0.0723 0.2995 0.2995
Brugia malayi Nuclear hormone receptor family member nhr-25 0.0075 0.0172 0.0172
Echinococcus granulosus retinoic acid receptor rxr beta a 0.0075 0.0172 0.0573
Echinococcus granulosus FTZ F1 nuclear receptor protein 0.0075 0.0172 0.0573
Echinococcus granulosus mothers against decapentaplegic 2 0.0071 0.0156 0.0521
Schistosoma mansoni family C2 unassigned peptidase (C02 family) 0.0078 0.0186 0.0342
Loa Loa (eye worm) hypothetical protein 0.0078 0.0186 0.0186
Loa Loa (eye worm) GTP-binding regulatory protein Gs alpha-S chain 0.0055 0.0087 0.0087
Echinococcus multilocularis glycosyltransferase protein LARGE2 0.0072 0.0161 0.0539
Schistosoma mansoni NADP-specific isocitrate dehydrogenase 0.0413 0.1646 0.3033
Loa Loa (eye worm) hypothetical protein 0.0055 0.0085 0.0085
Schistosoma mansoni Tr4/Tr2 (homologue) 0.0075 0.0172 0.0316
Echinococcus granulosus family C2 unassigned peptidase C02 family 0.0082 0.0203 0.0678
Loa Loa (eye worm) nuclear hormone receptor family member nhr-1 0.0075 0.0172 0.0172
Trypanosoma brucei isocitrate dehydrogenase [NADP], mitochondrial precursor, putative 0.0413 0.1646 1
Echinococcus granulosus smad 0.0159 0.0539 0.1799
Brugia malayi MH2 domain containing protein 0.0159 0.0539 0.0539
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0055 0.0087 0.0292
Chlamydia trachomatis ATP-dependent Clp protease proteolytic subunit 0.0079 0.0189 0.5
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0055 0.0087 0.0292
Loa Loa (eye worm) latrophilin receptor protein 2 0.0593 0.243 0.243
Loa Loa (eye worm) hypothetical protein 0.0546 0.2225 0.2225
Onchocerca volvulus 0.0055 0.0085 0.4945
Echinococcus multilocularis family C2 unassigned peptidase (C02 family) 0.0082 0.0203 0.0678
Echinococcus granulosus Ataxin 2 N terminaldomain containing protein 0.0086 0.0222 0.074
Echinococcus multilocularis nuclear receptor subfamily 1 group D 0.0039 0.0018 0.0061
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0055 0.0087 0.0292
Echinococcus multilocularis nuclear receptor 2DBD gamma 0.0075 0.0172 0.0573
Schistosoma mansoni hypothetical protein 0.0593 0.243 0.4477
Schistosoma mansoni glycosyltransferase-related 0.0075 0.0172 0.0316
Echinococcus multilocularis glycosyltransferase protein LARGE2 0.0072 0.0161 0.0539
Brugia malayi Nuclear hormone receptor family member nhr-3 0.0075 0.0172 0.0172
Echinococcus multilocularis TGF beta signal transducer SmadC 0.0159 0.0539 0.1799
Echinococcus granulosus nuclear receptor subfamily 1 group D 0.0039 0.0018 0.0061
Schistosoma mansoni steroid hormone receptor ad4bp 0.0075 0.0172 0.0316
Loa Loa (eye worm) hypothetical protein 0.0055 0.0085 0.0085
Schistosoma mansoni tar DNA-binding protein 0.0723 0.2995 0.5517
Loa Loa (eye worm) hypothetical protein 0.0075 0.0172 0.0172
Brugia malayi MH1 domain containing protein 0.0159 0.0539 0.0539
Loa Loa (eye worm) nuclear hormone receptor family member nhr-40 0.0075 0.0172 0.0172
Echinococcus granulosus FTZ F1 alpha 0.0075 0.0172 0.0573
Brugia malayi photoreceptor-specific nuclear receptor 0.0546 0.2225 0.2225
Schistosoma mansoni nuclear hormone receptor 0.0075 0.0172 0.0316
Echinococcus multilocularis Nuclear hormone receptor family member nhr 41 0.0075 0.0172 0.0573
Schistosoma mansoni ecdysone-induced protein 78c (dr-78) 0.0039 0.0018 0.0034
Toxoplasma gondii isocitrate dehydrogenase 0.0413 0.1646 1
Echinococcus granulosus tar DNA binding protein 0.0723 0.2995 1
Brugia malayi latrophilin 2 splice variant baaae 0.1281 0.5428 0.5428
Echinococcus multilocularis isocitrate dehydrogenase 0.0413 0.1646 0.5497
Echinococcus multilocularis glycosyltransferase protein LARGE2 0.0072 0.0161 0.0539
Loa Loa (eye worm) nuclear Hormone Receptor family member 0.0075 0.0172 0.0172
Brugia malayi Tyrosine-protein kinase abl-1 0.0283 0.108 0.108
Loa Loa (eye worm) hypothetical protein 0.1281 0.5428 0.5428
Schistosoma mansoni smad1 5 8 and 0.0159 0.0539 0.0992
Mycobacterium leprae PROBABLE ATP-DEPENDENT CLP PROTEASE PROTEOLYTIC SUBUNIT 1 CLPP1 (ENDOPEPTIDASE CLP) 0.0051 0.0071 0.0455
Echinococcus multilocularis ecdysone induced protein 78C 0.0075 0.0172 0.0573
Brugia malayi Tyrosine-protein kinase abl-1 0.0421 0.1681 0.1681
Echinococcus multilocularis mothers against decapentaplegic 6 0.0071 0.0156 0.0521
Entamoeba histolytica tartrate dehydrogenase, putative 0.005 0.0065 0.5
Schistosoma mansoni family C2 unassigned peptidase (C02 family) 0.0082 0.0203 0.0374
Brugia malayi Steroid receptor seven-up type 2 0.0558 0.2277 0.2277
Echinococcus granulosus nuclear receptor 2DBD gamma 0.0075 0.0172 0.0573
Onchocerca volvulus Protein ultraspiracle homolog 0.0075 0.0172 1
Schistosoma mansoni retinoid-x-receptor (RXR) 0.0039 0.0018 0.0034
Schistosoma mansoni tyrosine kinase 0.0685 0.2828 0.5211
Brugia malayi Isocitrate dehydrogenase subunit gamma, mitochondrial precursor 0.005 0.0065 0.0065
Mycobacterium leprae PROBABLE ATP-DEPENDENT CLP PROTEASE PROTEOLYTIC SUBUNIT 2 CLPP2 (ENDOPEPTIDASE CLP 2) 0.0079 0.0189 1
Echinococcus granulosus cadherin EGF LAG seven pass G type receptor 0.0593 0.243 0.8115
Loa Loa (eye worm) hypothetical protein 0.0523 0.2124 0.2124
Echinococcus granulosus mothers against decapentaplegic 6 0.0071 0.0156 0.0521
Loa Loa (eye worm) pigment dispersing factor receptor c 0.1875 0.8011 0.8011
Brugia malayi GTP-binding regulatory protein Gs alpha-S chain, putative 0.0055 0.0087 0.0087
Echinococcus granulosus TGF beta signal transducer SmadC 0.0159 0.0539 0.1799
Loa Loa (eye worm) hypothetical protein 0.005 0.0065 0.0065
Brugia malayi Smad1 0.0159 0.0539 0.0539
Echinococcus multilocularis smad 0.0159 0.0539 0.1799
Trichomonas vaginalis isocitrate dehydrogenase, putative 0.005 0.0065 0.5
Echinococcus granulosus neuropeptide receptor A26 0.0561 0.229 0.7648
Echinococcus multilocularis isocitrate dehydrogenase 2 (NADP+) 0.0413 0.1646 0.5497
Brugia malayi Nuclear hormone receptor family member nhr-1 0.0075 0.0172 0.0172
Schistosoma mansoni smad 0.0159 0.0539 0.0992
Schistosoma mansoni smad1 5 8 and 0.0159 0.0539 0.0992
Echinococcus granulosus Nuclear hormone receptor family member nhr 41 0.0075 0.0172 0.0573
Schistosoma mansoni Isocitrate dehydrogenase [NAD] subunit gamma mitochondrial 0.005 0.0065 0.012
Brugia malayi steroid hormone receptor 0.0075 0.0172 0.0172
Brugia malayi isocitrate dehydrogenase [NAD] subunit alpha, mitochondrial 0.005 0.0065 0.0065
Schistosoma mansoni hypothetical protein 0.0593 0.243 0.4477
Loa Loa (eye worm) MH2 domain-containing protein 0.0159 0.0539 0.0539
Echinococcus granulosus GPCR family 2 0.0593 0.243 0.8115
Schistosoma mansoni Smad4 0.0071 0.0156 0.0287
Onchocerca volvulus 0.0075 0.0172 1
Echinococcus granulosus isocitrate dehydrogenase NAD subunit 0.005 0.0065 0.0218
Echinococcus granulosus NADP dependent isocitrate dehydrogenase 0.0413 0.1646 0.5497
Brugia malayi Glycosyl transferase family 8 protein 0.0075 0.0172 0.0172
Brugia malayi Nuclear hormone receptor family member nhr-31 0.0075 0.0172 0.0172
Loa Loa (eye worm) nuclear hormone receptor family member nhr-49 0.0075 0.0172 0.0172
Plasmodium falciparum ataxin-2 like protein, putative 0.0192 0.0682 0.3386
Echinococcus multilocularis FTZ F1 alpha 0.0075 0.0172 0.0573
Loa Loa (eye worm) hypothetical protein 0.0075 0.0172 0.0172
Echinococcus multilocularis isocitrate dehydrogenase (NAD+) 0.005 0.0065 0.0218
Schistosoma mansoni smad1 5 8 and 0.0159 0.0539 0.0992
Echinococcus multilocularis Ataxin 2, N terminal,domain containing protein 0.0086 0.0222 0.074
Echinococcus multilocularis Smad4 0.0159 0.0539 0.1799
Echinococcus multilocularis tar DNA binding protein 0.0723 0.2995 1
Schistosoma mansoni RAR-like nuclear receptor 0.0075 0.0172 0.0316
Brugia malayi Calcitonin receptor-like protein seb-1 0.1875 0.8011 0.8011
Loa Loa (eye worm) hypothetical protein 0.0071 0.0156 0.0156
Echinococcus multilocularis tyrosine protein kinase Abl 0.0283 0.108 0.3606
Loa Loa (eye worm) hypothetical protein 0.0075 0.0172 0.0172
Schistosoma mansoni thyroid hormone receptor 0.0075 0.0172 0.0316
Loa Loa (eye worm) nuclear hormone receptor 0.0519 0.2106 0.2106
Loa Loa (eye worm) nuclear hormone receptor family member nhr-41 0.0075 0.0172 0.0172
Echinococcus multilocularis calpain family protein 1, d 0.0055 0.0085 0.0283
Echinococcus multilocularis thyroid hormone receptor alpha 0.0075 0.0172 0.0573
Echinococcus granulosus tyrosine protein kinase ABL1 0.0695 0.2872 0.9589
Brugia malayi Nuclear hormone receptor family member nhr-41 0.0075 0.0172 0.0172
Brugia malayi ecdysteroid receptor 0.0075 0.0172 0.0172
Loa Loa (eye worm) hypothetical protein 0.0263 0.0994 0.0994
Brugia malayi calcium-independent alpha-latrotoxin receptor 2, putative 0.0593 0.243 0.243
Loa Loa (eye worm) RNA recognition domain-containing protein domain-containing protein 0.0723 0.2995 0.2995
Loa Loa (eye worm) Smad1 0.0159 0.0539 0.0539
Brugia malayi nuclear receptor NHR-88 0.0075 0.0172 0.0172
Mycobacterium tuberculosis Probable isocitrate dehydrogenase [NADP] Icd1 (oxalosuccinate decarboxylase) (IDH) (NADP+-specific ICDH) (IDP) 0.0413 0.1646 1
Brugia malayi Nuclear hormone receptor family member nhr-14 0.0075 0.0172 0.0172
Wolbachia endosymbiont of Brugia malayi ATP-dependent Clp protease proteolytic subunit 0.0079 0.0189 1
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.1875 0.8011 0.8011
Brugia malayi Nuclear hormone receptor family member nhr-19 0.0075 0.0172 0.0172
Schistosoma mansoni photoreceptor-specific nuclear receptor related 0.0075 0.0172 0.0316
Onchocerca volvulus Steroid hormone receptor family member cnr14 homolog 0.0075 0.0172 1
Onchocerca volvulus Bile acid receptor homolog 0.0075 0.0172 1
Brugia malayi nuclear hormone receptor 0.0075 0.0172 0.0172
Brugia malayi hypothetical protein 0.0039 0.0018 0.0018
Echinococcus multilocularis ATP dependent Clp protease proteolytic subunit 0.0079 0.0189 0.063
Leishmania major hypothetical protein, conserved 0.0192 0.0682 0.3902
Trypanosoma cruzi isocitrate dehydrogenase [NADP], mitochondrial precursor, putative 0.0413 0.1646 1
Loa Loa (eye worm) hypothetical protein 0.0039 0.0018 0.0018
Plasmodium falciparum ataxin-2 like protein, putative 0.0192 0.0682 0.3386
Schistosoma mansoni hypothetical protein 0.0593 0.243 0.4477
Brugia malayi Probable ClpP-like protease 0.0079 0.0189 0.0189
Chlamydia trachomatis ATP-dependent Clp protease proteolytic subunit 0.0079 0.0189 0.5
Echinococcus multilocularis GPCR, family 2 0.0593 0.243 0.8115
Brugia malayi Latrophilin receptor protein 2 0.0593 0.243 0.243
Treponema pallidum ATP-dependent Clp protease proteolytic subunit 0.0079 0.0189 0.5
Loa Loa (eye worm) nuclear factor I 0.0088 0.0229 0.0229
Onchocerca volvulus Mothers against decapentaplegic homolog 0.0071 0.0156 0.9096
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0055 0.0087 0.0161
Brugia malayi hypothetical protein 0.0192 0.0682 0.0682
Brugia malayi Nuclear hormone receptor-like 1 0.0039 0.0018 0.0018
Loa Loa (eye worm) calpain family protein 1 0.0078 0.0186 0.0186
Brugia malayi Isocitrate dehydrogenase 0.0413 0.1646 0.1646
Brugia malayi isocitrate dehydrogenase 0.0413 0.1646 0.1646
Schistosoma mansoni hypothetical protein 0.0086 0.0222 0.0408
Loa Loa (eye worm) isocitrate dehydrogenase gamma subunit 0.005 0.0065 0.0065
Echinococcus multilocularis hepatocyte nuclear factor 4 alpha 0.0075 0.0172 0.0573
Echinococcus multilocularis calpain A 0.0082 0.0203 0.0678
Echinococcus multilocularis cadherin EGF LAG seven pass G type receptor 0.0593 0.243 0.8115
Echinococcus multilocularis FTZ F1 nuclear receptor protein 0.0075 0.0172 0.0573
Brugia malayi mothers against decapentaplegic homolog 3 0.0071 0.0156 0.0156
Loa Loa (eye worm) hypothetical protein 0.0039 0.0018 0.0018
Loa Loa (eye worm) steroid hormone receptor 0.0075 0.0172 0.0172
Schistosoma mansoni retinoid-x-receptor (RXR) 0.0075 0.0172 0.0316
Schistosoma mansoni hypothetical protein 0.0593 0.243 0.4477
Echinococcus granulosus isocitrate dehydrogenase NAD 0.005 0.0065 0.0218
Loa Loa (eye worm) calpain family protein 1 0.0055 0.0085 0.0085
Echinococcus granulosus Glycosyl transferase family 8 0.0075 0.0172 0.0573
Echinococcus multilocularis isocitrate dehydrogenase (NAD) subunit 0.005 0.0065 0.0218
Loa Loa (eye worm) transcription factor SMAD2 0.2331 1 1
Schistosoma mansoni family C2 unassigned peptidase (C02 family) 0.0082 0.0203 0.0374
Schistosoma mansoni tar DNA-binding protein 0.0723 0.2995 0.5517
Mycobacterium tuberculosis Probable ATP-dependent CLP protease proteolytic subunit 1 ClpP1 (endopeptidase CLP) 0.0051 0.0071 0.0036
Loa Loa (eye worm) hypothetical protein 0.0088 0.0229 0.0229
Schistosoma mansoni coup transcription factor 0.0075 0.0172 0.0316
Loa Loa (eye worm) hypothetical protein 0.0078 0.0186 0.0186
Loa Loa (eye worm) glycosyl transferase family 8 protein 0.0075 0.0172 0.0172
Echinococcus granulosus peptidase Clp S14 family 0.0051 0.0071 0.0237
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0055 0.0087 0.0292
Echinococcus multilocularis mothers against decapentaplegic 2 0.0071 0.0156 0.0521
Mycobacterium ulcerans ATP-dependent Clp protease proteolytic subunit 0.0079 0.0189 1
Brugia malayi MH1 domain containing protein 0.0088 0.0229 0.0229
Loa Loa (eye worm) hypothetical protein 0.0593 0.243 0.243
Brugia malayi calpain family protein 1 0.0078 0.0186 0.0186
Schistosoma mansoni thyroid hormone receptor 0.0075 0.0172 0.0316
Schistosoma mansoni tar DNA-binding protein 0.0723 0.2995 0.5517

Activities

Activity type Activity value Assay description Source Reference
IC50 (functional) = 12.67603777 um PUBCHEM_BIOASSAY: Dose Response Confirmation for Calpain Inhibitors. (Class of assay: confirmatory) [Related pubchem assays: 1236 (Primary screen preceding this confirmatory assay.)] ChEMBL. No reference
Potency (functional) 2.3323 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 (functional) = 15.8489 um PUBCHEM_BIOASSAY: qHTS Assay for Antagonists of the Neuropeptide S Receptor: cAMP Signal Transduction. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 19.9526 uM PubChem BioAssay. qHTS for Antagonists of gsp, the Etiologic Mutation Responsible for Fibrous Dysplasia/McCune-Albright Syndrome: qHTS. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) = 22.3872 um PUBCHEM_BIOASSAY: qHTS Assay for Modulators of Lamin A Splicing. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 50.1187 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

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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