Detailed information for compound 1286341

Basic information

Technical information
  • TDR Targets ID: 1286341
  • Name: 3,4-dimethoxy-N-[[[(1S,2S)-2-phenylcyclopropa necarbonyl]amino]carbamothioyl]benzamide
  • MW: 399.463 | Formula: C20H21N3O4S
  • H donors: 3 H acceptors: 2 LogP: 3.26 Rotable bonds: 10
    Rule of 5 violations (Lipinski): 1
  • SMILES: COc1ccc(cc1OC)C(=O)NC(=S)NNC(=O)[C@H]1C[C@@H]1c1ccccc1
  • InChi: 1S/C20H21N3O4S/c1-26-16-9-8-13(10-17(16)27-2)18(24)21-20(28)23-22-19(25)15-11-14(15)12-6-4-3-5-7-12/h3-10,14-15H,11H2,1-2H3,(H,22,25)(H2,21,23,24,28)/t14-,15+/m1/s1
  • InChiKey: YFSFTPRYSCYXLC-CABCVRRESA-N  


Substructure search Similarity search

Network

Hover on a compound node to display the structore

Synonyms

  • 3,4-dimethoxy-N-[[N'-[oxo-[(1S,2S)-2-phenylcyclopropyl]methyl]hydrazino]-thioxomethyl]benzamide
  • 3,4-dimethoxy-N-[[[(1S,2S)-2-phenylcyclopropanecarbonyl]amino]thiocarbamoyl]benzamide
  • 3,4-dimethoxy-N-[[[(1S,2S)-2-phenylcyclopropyl]carbonylamino]carbamothioyl]benzamide
  • STOCK3S-60933
  • 3,4-Dimethoxy-N-[N'-((1S,2S)-2-phenyl-cyclopropanecarbonyl)-hydrazinocarbothioyl]-benzamide
  • MLS000769144
  • SMR000433878
  • ZINC05024893

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Streptococcus pyogenes serotype M1 Streptokinase A Starlite/ChEMBL No references
Homo sapiens Rap guanine nucleotide exchange factor (GEF) 3 Starlite/ChEMBL No references
Mus musculus RAR-related orphan receptor gamma Starlite/ChEMBL No references
Homo sapiens nuclear factor, erythroid 2-like 2 Starlite/ChEMBL No references
Homo sapiens geminin, DNA replication inhibitor Starlite/ChEMBL No references
Homo sapiens synuclein, alpha (non A4 component of amyloid precursor) Starlite/ChEMBL No references
Homo sapiens glycoprotein hormones, alpha polypeptide Starlite/ChEMBL No references

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Leishmania major basic transcription factor 3a, putative Get druggable targets OG5_127333 All targets in OG5_127333
Echinococcus granulosus transcription factor btf3 Get druggable targets OG5_127333 All targets in OG5_127333
Trichomonas vaginalis conserved hypothetical protein Get druggable targets OG5_127333 All targets in OG5_127333
Trichomonas vaginalis conserved hypothetical protein Get druggable targets OG5_127333 All targets in OG5_127333
Loa Loa (eye worm) ICD-1 protein Get druggable targets OG5_127333 All targets in OG5_127333
Plasmodium berghei transcription factor 3b, putative Get druggable targets OG5_127333 All targets in OG5_127333
Cryptosporidium parvum BTF domain, basal transcription factor Get druggable targets OG5_127333 All targets in OG5_127333
Theileria parva transcription factor BTF3, putative Get druggable targets OG5_127333 All targets in OG5_127333
Entamoeba histolytica hypothetical protein Get druggable targets OG5_127333 All targets in OG5_127333
Schistosoma mansoni transcription factor btf3 Get druggable targets OG5_127333 All targets in OG5_127333
Plasmodium knowlesi basic transcription factor 3b, putative Get druggable targets OG5_127333 All targets in OG5_127333
Plasmodium yoelii basic transcription factor 3, putative Get druggable targets OG5_127333 All targets in OG5_127333
Cryptosporidium hominis NAC domain protein Get druggable targets OG5_127333 All targets in OG5_127333
Entamoeba histolytica transcription factor BTF3, putative Get druggable targets OG5_127333 All targets in OG5_127333
Candida albicans similar to S. cerevisiae GAL4 enhancer protein EGD1 (YPL037C) subunit alpha of the nascent polypeptide-associated chaperone comp Get druggable targets OG5_127333 All targets in OG5_127333
Trypanosoma brucei gambiense nascent polypeptide associated complex alpha subunit, putative Get druggable targets OG5_127333 All targets in OG5_127333
Leishmania infantum basic transcription factor 3a, putative Get druggable targets OG5_127333 All targets in OG5_127333
Brugia malayi N-terminal motif family protein Get druggable targets OG5_131726 All targets in OG5_131726
Leishmania donovani transcription factor btf3, putative Get druggable targets OG5_127333 All targets in OG5_127333
Leishmania mexicana basic transcription factor 3a, putative Get druggable targets OG5_127333 All targets in OG5_127333
Trypanosoma cruzi transcription factor btf3, putative Get druggable targets OG5_127333 All targets in OG5_127333
Plasmodium falciparum basic transcription factor 3b, putative Get druggable targets OG5_127333 All targets in OG5_127333
Neospora caninum hypothetical protein Get druggable targets OG5_127333 All targets in OG5_127333
Echinococcus multilocularis transcription factor btf3 Get druggable targets OG5_127333 All targets in OG5_127333
Brugia malayi beta-NAC-like protein Get druggable targets OG5_127333 All targets in OG5_127333
Babesia bovis NAC domain containing protein Get druggable targets OG5_127333 All targets in OG5_127333
Schistosoma japonicum ko:K01527 nascent polypeptide-associated complex subunit beta, putative Get druggable targets OG5_127333 All targets in OG5_127333
Plasmodium vivax basic transcription factor 3b, putative Get druggable targets OG5_127333 All targets in OG5_127333
Onchocerca volvulus Rap guanine nucleotide exchange factor 1 homolog Get druggable targets OG5_131726 All targets in OG5_131726
Candida albicans similar to S. cerevisiae GAL4 enhancer protein EGD1 (YPL037C) subunit alpha of the nascent polypeptide-associated chaperone comp Get druggable targets OG5_127333 All targets in OG5_127333
Trypanosoma cruzi transcription factor btf3, putative Get druggable targets OG5_127333 All targets in OG5_127333
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_131726 All targets in OG5_131726
Trypanosoma brucei transcription factor BTF3, putative Get druggable targets OG5_127333 All targets in OG5_127333
Leishmania braziliensis basic transcription factor 3a, putative Get druggable targets OG5_127333 All targets in OG5_127333
Trichomonas vaginalis conserved hypothetical protein Get druggable targets OG5_127333 All targets in OG5_127333
Toxoplasma gondii NAC domain-containing protein Get druggable targets OG5_127333 All targets in OG5_127333
By sequence similarity to non orthologous known druggable targets
Species Potential target Known druggable target Length Alignment span Identity
Toxoplasma gondii intraflagellar transport protein 172, putative glycoprotein hormones, alpha polypeptide 116 aa 94 aa 26.6 %
Brugia malayi Hypothetical 65.5 kDa Trp-Asp repeats containing protein F02E8.5 inchromosome X geminin, DNA replication inhibitor 209 aa 176 aa 27.8 %
Obtained from network model

Ranking Plot

Putative Targets List

Species Potential target Raw Global Species
Trypanosoma cruzi peptidyl-prolyl cis-trans isomerase 0.0064 0.0596 1
Echinococcus granulosus GTP binding nuclear protein Ran 0.0021 0.0101 0.0101
Trichomonas vaginalis conserved hypothetical protein 0.0042 0.0341 0.0744
Brugia malayi Smad1 0.0026 0.0156 0.0283
Schistosoma mansoni hypothetical protein 0.0135 0.1403 0.1403
Trypanosoma brucei unspecified product 0.0038 0.0294 0.4071
Echinococcus granulosus mothers against decapentaplegic 5 0.0026 0.0156 0.0156
Trypanosoma brucei DNA polymerase IV, putative 0.0038 0.0294 0.4071
Brugia malayi calcium-independent alpha-latrotoxin receptor 2, putative 0.0135 0.1403 0.2925
Brugia malayi MH1 domain containing protein 0.0026 0.0156 0.0283
Echinococcus granulosus dna polymerase eta 0.0038 0.0294 0.0294
Trypanosoma brucei unspecified product 0.0026 0.0158 0.1404
Schistosoma mansoni rab geranylgeranyl transferase alpha subunit 0.0038 0.0294 0.0294
Echinococcus granulosus importin subunit beta 1 0.0029 0.0189 0.0189
Echinococcus granulosus SWI:SNF matrix associated 0.0025 0.0146 0.0146
Trypanosoma brucei DNA polymerase kappa, putative 0.0038 0.0294 0.4071
Brugia malayi ImpB/MucB/SamB family protein 0.0038 0.0294 0.0576
Trypanosoma brucei DNA polymerase IV, putative 0.0038 0.0294 0.4071
Trichomonas vaginalis rotamase, putative 0.0066 0.0613 0.1591
Loa Loa (eye worm) GTP-binding regulatory protein Gs alpha-S chain 0.0051 0.0436 0.0877
Loa Loa (eye worm) SWIB/MDM2 domain-containing protein 0.0025 0.0146 0.0262
Loa Loa (eye worm) hypothetical protein 0.0066 0.0618 0.1262
Loa Loa (eye worm) hypothetical protein 0.0028 0.0176 0.0326
Brugia malayi Latrophilin receptor protein 2 0.0135 0.1403 0.2925
Mycobacterium tuberculosis Possible DNA-damage-inducible protein P DinP (DNA polymerase V) (pol IV 2) (DNA nucleotidyltransferase (DNA-directed)) 0.0038 0.0294 0.5
Echinococcus multilocularis diuretic hormone 44 receptor GPRdih2 0.0135 0.1403 0.1403
Echinococcus granulosus smad 0.0026 0.0156 0.0156
Leishmania major GTP-binding protein, putative 0.0021 0.0101 0.0288
Trypanosoma cruzi DNA polymerase kappa, putative 0.0038 0.0294 0.4071
Echinococcus multilocularis dna polymerase eta 0.0038 0.0294 0.0294
Schistosoma mansoni hypothetical protein 0.0025 0.0146 0.0146
Schistosoma mansoni hypothetical protein 0.0291 0.3198 0.3198
Leishmania major importin beta-1 subunit, putative 0.0024 0.0126 0.0777
Schistosoma mansoni terminal deoxycytidyl transferase 0.0038 0.0294 0.0294
Trypanosoma brucei DNA polymerase kappa, putative 0.0038 0.0294 0.4071
Echinococcus multilocularis Basic leucine zipper (bZIP) transcription 0.0071 0.0672 0.0672
Echinococcus multilocularis dna polymerase kappa 0.0038 0.0294 0.0294
Brugia malayi hypothetical protein 0.0018 0.0063 0.0086
Trypanosoma brucei DNA polymerase kappa, putative 0.0026 0.0158 0.1404
Loa Loa (eye worm) hypothetical protein 0.0038 0.0294 0.0576
Leishmania major DNA polymerase kappa, putative,DNA polymerase IV, putative 0.0038 0.0294 0.4071
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.0426 0.4744 1
Trypanosoma brucei DNA polymerase kappa, putative 0.0038 0.0294 0.4071
Trypanosoma cruzi DNA polymerase eta, putative 0.0038 0.0294 0.4071
Plasmodium vivax SWIB/MDM2 domain-containing protein, putative 0.0025 0.0146 0.1844
Echinococcus multilocularis cadherin EGF LAG seven pass G type receptor 0.0135 0.1403 0.1403
Loa Loa (eye worm) hypothetical protein 0.0291 0.3198 0.6725
Loa Loa (eye worm) hypothetical protein 0.0218 0.2357 0.4945
Echinococcus multilocularis SWI:SNF matrix associated 0.0025 0.0146 0.0146
Loa Loa (eye worm) fli-1 protein 0.0236 0.256 0.5375
Trypanosoma cruzi GTP-binding nuclear protein rtb2, putative 0.0021 0.0101 0.0288
Leishmania major hypothetical protein, conserved 0.0028 0.0176 0.1754
Schistosoma mansoni hypothetical protein 0.0135 0.1403 0.1403
Schistosoma mansoni hypothetical protein 0.0309 0.3406 0.3406
Trypanosoma brucei DNA polymerase kappa, putative 0.0026 0.0158 0.1404
Echinococcus multilocularis terminal deoxycytidyl transferase rev1 0.0038 0.0294 0.0294
Echinococcus multilocularis SWI:SNF matrix associated 0.0025 0.0146 0.0146
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0051 0.0436 0.0436
Plasmodium falciparum SWIB/MDM2 domain-containing protein 0.0025 0.0146 0.1844
Plasmodium vivax ataxin-2 like protein, putative 0.0028 0.0176 0.3114
Mycobacterium ulcerans glutaminase 0.0302 0.332 1
Schistosoma mansoni transcription factor LCR-F1 0.0071 0.0672 0.0672
Trypanosoma cruzi importin beta-1 subunit, putative 0.0024 0.0126 0.0777
Schistosoma mansoni hypothetical protein 0.0071 0.0672 0.0672
Echinococcus granulosus Upstream activation factor subunit UAF30 0.0025 0.0146 0.0146
Loa Loa (eye worm) transcription factor SMAD2 0.0383 0.4245 0.8943
Brugia malayi beta-NAC-like protein 0.0042 0.0341 0.0675
Trypanosoma cruzi GTP-binding nuclear protein rtb2, putative 0.0021 0.0101 0.0288
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0051 0.0436 0.0436
Brugia malayi brahma associated protein 60 kDa 0.0025 0.0146 0.0262
Brugia malayi Importin beta-1 subunit 0.0029 0.0189 0.0354
Plasmodium vivax basic transcription factor 3b, putative 0.0042 0.0341 1
Entamoeba histolytica transcription factor BTF3, putative 0.0042 0.0341 0.4201
Giardia lamblia DINP protein human, muc B family 0.0038 0.0294 1
Echinococcus multilocularis Smad4 0.0026 0.0156 0.0156
Plasmodium falciparum SWIB/MDM2 domain-containing protein 0.0025 0.0146 0.1844
Plasmodium vivax importin-beta 2, putative 0.0029 0.0189 0.3664
Trypanosoma brucei unspecified product 0.0026 0.0158 0.1404
Schistosoma mansoni hypothetical protein 0.0025 0.0146 0.0146
Loa Loa (eye worm) latrophilin receptor protein 2 0.0135 0.1403 0.2925
Loa Loa (eye worm) GTP-binding nuclear protein RAN/TC4 0.0021 0.0101 0.0168
Entamoeba histolytica deoxycytidyl transferase, putative 0.0038 0.0294 0.3375
Chlamydia trachomatis DNA topoisomerase I 0.0025 0.0146 0.5
Brugia malayi latrophilin 2 splice variant baaae 0.0291 0.3198 0.6725
Brugia malayi MH2 domain containing protein 0.0383 0.4245 0.8943
Echinococcus granulosus diuretic hormone 44 receptor GPRdih2 0.0135 0.1403 0.1403
Loa Loa (eye worm) glutaminase 0.0302 0.332 0.6983
Brugia malayi Ets-domain containing protein 0.0078 0.0747 0.1536
Schistosoma mansoni hypothetical protein 0.0025 0.0146 0.0146
Schistosoma mansoni hypothetical protein 0.0135 0.1403 0.1403
Trypanosoma cruzi PAB1-binding protein , putative 0.0028 0.0176 0.1754
Trypanosoma brucei DNA polymerase IV, putative 0.0038 0.0294 0.4071
Trichomonas vaginalis importin beta-1, putative 0.0024 0.0126 0.0077
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0051 0.0436 0.0436
Plasmodium falciparum basic transcription factor 3b, putative 0.0042 0.0341 1
Schistosoma mansoni rotamase 0.0066 0.0613 0.0613
Echinococcus multilocularis transcription factor btf3 0.0042 0.0341 0.0341
Trichomonas vaginalis conserved hypothetical protein 0.0066 0.0613 0.1591
Leishmania major DNA polymerase eta, putative 0.0038 0.0294 0.4071
Schistosoma mansoni DNA polymerase eta 0.0038 0.0294 0.0294
Trypanosoma brucei DNA polymerase kappa, putative 0.0038 0.0294 0.4071
Trypanosoma brucei DNA polymerase kappa, putative 0.0038 0.0294 0.4071
Schistosoma mansoni importin beta-1 0.0029 0.0189 0.0189
Echinococcus multilocularis GPCR, family 2 0.0135 0.1403 0.1403
Brugia malayi RNA, U transporter 1 0.0082 0.0802 0.1652
Plasmodium vivax hypothetical protein, conserved 0.0025 0.0146 0.1844
Loa Loa (eye worm) glutaminase 2 0.0302 0.332 0.6983
Echinococcus multilocularis mothers against decapentaplegic 5 0.0026 0.0156 0.0156
Echinococcus granulosus TGF beta signal transducer SmadC 0.0026 0.0156 0.0156
Echinococcus multilocularis smad 0.0026 0.0156 0.0156
Echinococcus granulosus Smad4 0.0026 0.0156 0.0156
Trichomonas vaginalis DNA polymerase IV / kappa, putative 0.0038 0.0294 0.0598
Trypanosoma brucei transcription factor BTF3, putative 0.0042 0.0341 0.4997
Entamoeba histolytica hypothetical protein 0.0071 0.0672 1
Trypanosoma cruzi peptidyl-prolyl cis-trans isomerase 0.0064 0.0596 1
Schistosoma mansoni smad1 5 8 and 0.0026 0.0156 0.0156
Trypanosoma cruzi DNA polymerase kappa, putative 0.0038 0.0294 0.4071
Loa Loa (eye worm) pigment dispersing factor receptor c 0.0426 0.4744 1
Leishmania major peptidyl-prolyl cis-trans isomerase/rotamase, putative,PPIase, putative 0.0064 0.0596 1
Plasmodium falciparum ataxin-2 like protein, putative 0.0028 0.0176 0.3114
Schistosoma mansoni Smad4 0.0026 0.0156 0.0156
Trypanosoma brucei DNA polymerase kappa, putative 0.0026 0.0158 0.1404
Echinococcus granulosus GA binding protein alpha chain 0.0078 0.0747 0.0747
Toxoplasma gondii GTP-binding nuclear protein ran/tc4 0.0021 0.0101 0.0288
Toxoplasma gondii peptidylprolyl isomerase 0.0064 0.0596 1
Trichomonas vaginalis DNA polymerase eta, putative 0.0038 0.0294 0.0598
Schistosoma mansoni transcription factor btf3 0.0042 0.0341 0.0341
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0051 0.0436 0.0436
Schistosoma mansoni gabp alpha 0.0078 0.0747 0.0747
Wolbachia endosymbiont of Brugia malayi parvulin-like peptidyl-prolyl isomerase, PPID 0.002 0.0087 0.5
Trypanosoma brucei peptidyl-prolyl cis-trans isomerase/rotamase, putative 0.0064 0.0596 1
Trichomonas vaginalis conserved hypothetical protein 0.0042 0.0341 0.0744
Leishmania major basic transcription factor 3a, putative 0.0042 0.0341 0.4997
Entamoeba histolytica hypothetical protein 0.0024 0.0126 0.0437
Echinococcus multilocularis snurportin 1 0.0309 0.3406 0.3406
Brugia malayi Ets-domain containing protein 0.0078 0.0747 0.1536
Loa Loa (eye worm) hypothetical protein 0.0426 0.4744 1
Trypanosoma brucei DNA polymerase kappa, putative 0.0038 0.0294 0.4071
Toxoplasma gondii LsmAD domain-containing protein 0.0028 0.0176 0.1754
Trypanosoma brucei PAB1-binding protein , putative 0.0028 0.0176 0.1754
Echinococcus granulosus cadherin EGF LAG seven pass G type receptor 0.0135 0.1403 0.1403
Toxoplasma gondii NAC domain-containing protein 0.0042 0.0341 0.4997
Echinococcus granulosus snurportin 1 0.0309 0.3406 0.3406
Echinococcus granulosus Basic leucine zipper bZIP transcription 0.0071 0.0672 0.0672
Brugia malayi brahma associated protein 60 kDa 0.0025 0.0146 0.0262
Schistosoma mansoni smad1 5 8 and 0.0026 0.0156 0.0156
Trypanosoma brucei importin beta-1 subunit, putative 0.0029 0.0189 0.2013
Echinococcus multilocularis SWI:SNF matrix associated 0.0025 0.0146 0.0146
Trichomonas vaginalis Importin beta-1 subunit, putative 0.0024 0.0126 0.0077
Trypanosoma brucei DNA polymerase kappa, putative 0.0038 0.0294 0.4071
Brugia malayi MH2 domain containing protein 0.0026 0.0156 0.0283
Trypanosoma brucei DNA polymerase kappa, putative 0.0038 0.0294 0.4071
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0051 0.0436 0.0436
Loa Loa (eye worm) ImpB/MucB/SamB family protein 0.0038 0.0294 0.0576
Echinococcus multilocularis GTP binding nuclear protein Ran 0.0021 0.0101 0.0101
Trypanosoma brucei DNA polymerase kappa, putative 0.0038 0.0294 0.4071
Plasmodium falciparum importin beta, putative 0.0029 0.0189 0.3664
Echinococcus granulosus dna polymerase kappa 0.0038 0.0294 0.0294
Loa Loa (eye worm) MH1 domain-containing protein 0.0026 0.0156 0.0283
Loa Loa (eye worm) ICD-1 protein 0.0042 0.0341 0.0675
Brugia malayi MH1 domain containing protein 0.0026 0.0156 0.0283
Echinococcus granulosus expressed protein 0.0066 0.0613 0.0613
Brugia malayi GTP-binding regulatory protein Gs alpha-S chain, putative 0.0051 0.0436 0.0877
Toxoplasma gondii HEAT repeat-containing protein 0.0029 0.0189 0.2013
Loa Loa (eye worm) hypothetical protein 0.0135 0.1403 0.2925
Trypanosoma brucei DNA polymerase kappa, putative 0.0038 0.0294 0.4071
Schistosoma mansoni hypothetical protein 0.0135 0.1403 0.1403
Trypanosoma brucei GTP-binding nuclear protein rtb2, putative 0.0021 0.0101 0.0288
Trypanosoma cruzi transcription factor btf3, putative 0.0042 0.0341 0.4997
Trichomonas vaginalis conserved hypothetical protein 0.0042 0.0341 0.0744
Leishmania major DNA polymerase kappa, putative 0.0038 0.0294 0.4071
Trypanosoma cruzi PAB1-binding protein , putative 0.0028 0.0176 0.1754
Loa Loa (eye worm) Pin1-type peptidyl-prolyl cis-trans isomerase 0.0066 0.0613 0.1252
Brugia malayi MH2 domain containing protein 0.0026 0.0156 0.0283
Echinococcus multilocularis Upstream activation factor subunit UAF30 0.0025 0.0146 0.0146
Brugia malayi hypothetical protein 0.0071 0.0672 0.1376
Entamoeba histolytica hypothetical protein 0.0071 0.0672 1
Brugia malayi Fli-1 protein 0.0236 0.256 0.5375
Loa Loa (eye worm) MH2 domain-containing protein 0.0383 0.4245 0.8943
Trichomonas vaginalis conserved hypothetical protein 0.0025 0.0146 0.0137
Brugia malayi Calcitonin receptor-like protein seb-1 0.0426 0.4744 1
Echinococcus multilocularis expressed protein 0.0066 0.0613 0.0613
Schistosoma mansoni ran 0.0021 0.0101 0.0101
Echinococcus multilocularis TGF beta signal transducer SmadC 0.0026 0.0156 0.0156
Trypanosoma cruzi transcription factor btf3, putative 0.0042 0.0341 0.4997
Entamoeba histolytica hypothetical protein 0.0071 0.0672 1
Brugia malayi SWIB/MDM2 domain containing protein 0.0025 0.0146 0.0262
Trypanosoma brucei importin beta-1 subunit, putative 0.0029 0.0189 0.2013
Schistosoma mansoni smad1 5 8 and 0.0026 0.0156 0.0156
Loa Loa (eye worm) hypothetical protein 0.0029 0.0189 0.0354
Chlamydia trachomatis SWIB complex protein 0.0025 0.0146 0.5
Loa Loa (eye worm) D-ets-4 DNA binding domain-containing protein 0.0078 0.0747 0.1536
Entamoeba histolytica peptidyl-prolyl cis-trans isomerase, putative 0.0064 0.0596 0.8664
Echinococcus multilocularis importin subunit beta 1 0.0029 0.0189 0.0189
Brugia malayi ImpB/MucB/SamB family protein 0.0038 0.0294 0.0576
Mycobacterium tuberculosis Conserved hypothetical protein 0.0038 0.0294 0.5
Schistosoma mansoni glutaminase 0.0302 0.332 0.332
Schistosoma mansoni smad 0.0026 0.0156 0.0156
Loa Loa (eye worm) MH2 domain-containing protein 0.0026 0.0156 0.0283
Toxoplasma gondii SWIB/MDM2 domain-containing protein 0.0025 0.0146 0.1156
Brugia malayi glutaminase DH11.1 0.0302 0.332 0.6983
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0051 0.0436 0.0436
Entamoeba histolytica hypothetical protein 0.0042 0.0341 0.4201
Loa Loa (eye worm) Smad1 0.0026 0.0156 0.0283
Brugia malayi N-terminal motif family protein 0.0218 0.2357 0.4945
Onchocerca volvulus Rap guanine nucleotide exchange factor 1 homolog 0.0218 0.2357 1
Brugia malayi hypothetical protein 0.0028 0.0176 0.0326
Schistosoma mansoni ran 0.0021 0.0101 0.0101
Entamoeba histolytica hypothetical protein 0.0071 0.0672 1
Brugia malayi GTP-binding nuclear protein RAN/TC4 0.0021 0.0101 0.0168
Loa Loa (eye worm) brahma associated protein 0.0025 0.0146 0.0262
Trichomonas vaginalis Importin beta-1 subunit, putative 0.0024 0.0126 0.0077
Echinococcus multilocularis GA binding protein alpha chain 0.0078 0.0747 0.0747
Trypanosoma cruzi DNA polymerase kappa, putative 0.0038 0.0294 0.4071
Echinococcus granulosus terminal deoxycytidyl transferase rev1 0.0038 0.0294 0.0294
Schistosoma mansoni ets-related 0.0236 0.256 0.256
Echinococcus granulosus transcription factor btf3 0.0042 0.0341 0.0341
Trypanosoma brucei DNA polymerase eta, putative 0.0038 0.0294 0.4071
Plasmodium falciparum ataxin-2 like protein, putative 0.0028 0.0176 0.3114
Trichomonas vaginalis glutaminase, putative 0.0302 0.332 1
Schistosoma mansoni brg-1 associated factor 0.0025 0.0146 0.0146
Trypanosoma cruzi DNA polymerase kappa, putative 0.0038 0.0294 0.4071
Trichomonas vaginalis rotamase, putative 0.0064 0.0596 0.1535
Toxoplasma gondii DNA topoisomerase domain-containing protein 0.0025 0.0146 0.1156
Echinococcus granulosus GPCR family 2 0.0135 0.1403 0.1403
Brugia malayi Pin1-type peptidyl-prolyl cis-trans isomerase, BmPin1 0.0066 0.0613 0.1252
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0051 0.0436 0.0436
Loa Loa (eye worm) nucleolar RNA-associated protein alpha 0.0309 0.3406 0.7166
Schistosoma mansoni TGF-beta signal transducer Smad2 0.0026 0.0156 0.0156

Activities

Activity type Activity value Assay description Source Reference
EC50 (functional) = 0.914 um PUBCHEM_BIOASSAY: Luminescence Microorganism-Based Dose Confirmation HTS to Identify Inhibitors of Streptokinase Promotor Activity. (Class of assay: confirmatory) [Related pubchem assays: 1677 (Project Summary), 1662 (Primary HTS)] ChEMBL. No reference
Potency (functional) 1.4716 uM PUBCHEM_BIOASSAY: Primary qHTS for delayed death inhibitors of the malarial parasite plastid, 96 hour incubation. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID488745, AID488752, AID488774, AID504848, AID504850] ChEMBL. No reference
Potency (functional) 2.5119 uM PUBCHEM_BIOASSAY: qHTS for Inhibitors of binding or entry into cells for Lassa Virus. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID463114, AID540249] ChEMBL. No reference
Potency (functional) 2.6169 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) 7.0795 uM PubChem BioAssay. qHTS for Antagonist of cAMP-regulated guanine nucleotide exchange factor 3 (EPAC1): primary screen. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 11.2202 uM PubChem BioAssay. qHTS for Activators of Integrin-Mediated Alleviation for Muscular Dystrophy. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) = 12.5893 um PUBCHEM_BIOASSAY: qHTS for inhibitors of ROR gamma transcriptional activity. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 16.3601 uM PUBCHEM_BIOASSAY: Nrf2 qHTS screen for inhibitors. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID493153, AID493163, AID504648] ChEMBL. No reference
Potency (functional) 17.7828 uM PubChem BioAssay. qHTS of alpha-syn Inhibitors. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 18.3564 uM PubChem BioAssay. A quantitative high throughput screen for small molecules that induce DNA re-replication in MCF 10a normal breast cells. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) = 22.3342 um PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of Fructose-1,6-bisphosphate Aldolase from Giardia Lamblia. (Class of assay: confirmatory) [Related pubchem assays: 2472, 2464 ] ChEMBL. No reference
Potency (functional) 29.081 uM PUBCHEM_BIOASSAY: qHTS screen for small molecules that induce genotoxicity in human embryonic kidney (HEK293T) cells expressing luciferase-tagged ELG1. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID493106, AID493143] ChEMBL. No reference
Potency (functional) 29.0929 uM PubChem BioAssay. A quantitative high throughput screen for small molecules that induce DNA re-replication in SW480 colon adenocarcinoma cells. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) = 35.4813 um PUBCHEM_BIOASSAY: VP16 counterscreen qHTS for inhibitors of ROR gamma transcriptional activity. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) = 39.8107 um PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of Human Jumonji Domain Containing 2E (JMJD2E). (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) = 39.8107 um PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of Aldehyde Dehydrogenase 1 (ALDH1A1). (Class of assay: confirmatory) [Related pubchem assays: 1030 (qHTS Validation Assay for Inhibitors of aldehyde dehydrogenase 1 (ALDH1A1))] ChEMBL. No reference
Potency (functional) 44.6684 uM PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of Histone Lysine Methyltransferase G9a. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID504404] ChEMBL. No reference
Potency (functional) 56.2341 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

Species name Source Reference Is orphan
Plasmodium falciparum ChEMBL23
Homo sapiens 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.
 
In any case, if you have information about papers containing relevant validation data for this target, please log in using your TDR Targets username and password and send them to us using the corresponding form in this page (only visible to registered users) or contact us.

External resources for this compound

Bibliographic References

No literature references available for this target.

If you have references for this compound, please enter them in a user comment (below) or Contact us.