Detailed information for compound 1330741

Basic information

Technical information
  • TDR Targets ID: 1330741
  • Name: 4-(4-ethoxyphenyl)-1-thia-4-azaspiro[4.5]deca n-3-one
  • MW: 291.408 | Formula: C16H21NO2S
  • H donors: 0 H acceptors: 1 LogP: 3.8 Rotable bonds: 3
    Rule of 5 violations (Lipinski): 1
  • SMILES: CCOc1ccc(cc1)N1C(=O)CSC21CCCCC2
  • InChi: 1S/C16H21NO2S/c1-2-19-14-8-6-13(7-9-14)17-15(18)12-20-16(17)10-4-3-5-11-16/h6-9H,2-5,10-12H2,1H3
  • InChiKey: NMBLUEULJYTAMJ-UHFFFAOYSA-N  


Substructure search Similarity search

Network

Hover on a compound node to display the structore

Synonyms

  • UNM000000687801
  • 4-(4-Ethoxy-phenyl)-1-thia-4-aza-spiro[4.5]decan-3-one
  • STOCK3S-77059
  • MLS000074977
  • BAS 05515380
  • EU-0049085
  • SMR000013425
  • ZINC00193688

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Equus caballus Ferritin light chain Starlite/ChEMBL No references

Predicted pathogen targets for this compound

By orthology
No druggable targets predicted by orthology data
By sequence similarity to non orthologous known druggable targets
Species Potential target Known druggable target Length Alignment span Identity
Schistosoma mansoni apoferritin-2 Ferritin light chain   175 aa 142 aa 29.6 %
Schistosoma mansoni ferritin Ferritin light chain   175 aa 171 aa 43.9 %
Schistosoma mansoni apoferritin-2 Ferritin light chain   175 aa 146 aa 28.8 %
Echinococcus granulosus expressed protein Ferritin light chain   175 aa 146 aa 28.8 %
Echinococcus multilocularis expressed protein Ferritin light chain   175 aa 146 aa 30.1 %
Schistosoma mansoni ferritin Ferritin light chain   175 aa 171 aa 44.4 %
Schistosoma japonicum Ferritin, putative Ferritin light chain   175 aa 144 aa 24.3 %
Obtained from network model

Ranking Plot

Putative Targets List

Species Potential target Raw Global Species
Brugia malayi Bromodomain containing protein 0.0037 0.1562 0.1679
Trypanosoma cruzi phosphatidylinositol 3-related kinase, putative 0.0017 0.0435 0.5226
Loa Loa (eye worm) PHD-finger family protein 0.002 0.0577 0.0778
Loa Loa (eye worm) hypothetical protein 0.0039 0.1697 0.2351
Trypanosoma cruzi Phosphatidylinositol 3-kinase tor1 0.0017 0.0435 0.5226
Loa Loa (eye worm) hypothetical protein 0.002 0.0587 0.0792
Trypanosoma brucei DNA polymerase kappa, putative 0.002 0.0587 0.7008
Mycobacterium ulcerans aldehyde dehydrogenase 0.0063 0.3076 1
Loa Loa (eye worm) transcription factor SMAD2 0.0134 0.7146 1
Trypanosoma brucei phosphatidylinositol 4-kinase, putative 0.0017 0.0435 0.4987
Mycobacterium ulcerans DNA polymerase IV 0.002 0.0587 0.1861
Mycobacterium ulcerans DNA polymerase IV 0.002 0.0587 0.1861
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0095 0.4913 0.4904
Trichomonas vaginalis PIKK family atypical protein kinase 0.0017 0.0435 0.5257
Trichomonas vaginalis PIKK family atypical protein kinase 0.0017 0.0435 0.5257
Mycobacterium leprae PROBABLE BACTERIOFERRITIN BFRA 0.001 0.0017 0.5
Echinococcus multilocularis FKBP12 rapamycin complex associated protein 0.0017 0.0435 0.0418
Entamoeba histolytica FKBP-rapamycin associated protein (FRAP), putative 0.0017 0.0435 0.2807
Leishmania major phosphatidylinositol 3-related kinase, putative 0.0017 0.0435 0.0555
Brugia malayi PHD-finger family protein 0.0024 0.0815 0.0567
Mycobacterium tuberculosis Conserved hypothetical protein 0.002 0.0587 0.1861
Trypanosoma brucei Phosphatidylinositol 3-kinase tor1 0.0017 0.0435 0.4987
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0016 0.0377 0.0377
Echinococcus multilocularis bromodomain adjacent to zinc finger domain 0.0035 0.143 0.1415
Leishmania major target of rapamycin (TOR) kinase 1, putative 0.0017 0.0435 0.0555
Plasmodium falciparum ADP-dependent DNA helicase RecQ 0.002 0.0596 0.5
Schistosoma mansoni DNA polymerase eta 0.002 0.0587 0.0587
Trichomonas vaginalis PIKK family atypical protein kinase 0.0017 0.0435 0.5257
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0095 0.4913 0.4904
Trichomonas vaginalis PIKK family atypical protein kinase 0.0017 0.0435 0.5257
Entamoeba histolytica hypothetical protein 0.0037 0.1549 1
Trypanosoma cruzi phosphatidylinositol 3-related kinase, putative 0.0017 0.0435 0.5226
Echinococcus granulosus ATP dependent DNA helicase Q1 0.002 0.0596 0.058
Loa Loa (eye worm) hypothetical protein 0.001 0.0023 0.00000000067682
Echinococcus multilocularis fetal alzheimer antigen, falz 0.0022 0.0683 0.0667
Leishmania major DNA polymerase kappa, putative 0.002 0.0587 0.1098
Mycobacterium ulcerans aldehyde dehydrogenase 0.0063 0.3076 1
Trichomonas vaginalis PIKK family atypical protein kinase 0.0017 0.0435 0.5257
Leishmania major DNA polymerase eta, putative 0.002 0.0587 0.1098
Trypanosoma brucei phosphatidylinositol kinase related protein, putative 0.0024 0.0811 1
Trichomonas vaginalis PIKK family atypical protein kinase 0.0017 0.0435 0.5257
Echinococcus granulosus bloom syndrome protein 0.002 0.0596 0.058
Echinococcus multilocularis Basic leucine zipper (bZIP) transcription 0.0037 0.1549 0.1535
Toxoplasma gondii ATP-dependent DNA helicase, RecQ family protein 0.001 0.0023 0.0074
Echinococcus granulosus serine protein kinase ATM 0.0024 0.0811 0.0795
Trypanosoma brucei unspecified product 0.002 0.0587 0.7008
Echinococcus granulosus dna polymerase eta 0.002 0.0587 0.057
Echinococcus granulosus zinc finger protein 0.0019 0.0518 0.0501
Trichomonas vaginalis DNA helicase recq1, putative 0.002 0.0596 0.7287
Leishmania major phosphatidylinositol 3-kinase, putative 0.0017 0.0435 0.0555
Echinococcus granulosus dna polymerase kappa 0.002 0.0587 0.057
Loa Loa (eye worm) RecQ helicase 0.002 0.0596 0.0805
Schistosoma mansoni hypothetical protein 0.002 0.0577 0.0577
Schistosoma mansoni bromodomain containing protein 0.0061 0.2954 0.2954
Trypanosoma cruzi DNA polymerase kappa, putative 0.002 0.0587 0.7151
Brugia malayi GTP-binding regulatory protein Gs alpha-S chain, putative 0.0095 0.4913 0.6673
Schistosoma mansoni ataxia telangiectasia mutated (atm) 0.0024 0.0811 0.0811
Brugia malayi ATP-dependent DNA helicase, RecQ family protein 0.002 0.0596 0.024
Trichomonas vaginalis PIKK family atypical protein kinase 0.0017 0.0435 0.5257
Schistosoma mansoni apoferritin-2 0.001 0.0017 0.0017
Loa Loa (eye worm) phosphatidylinositol 3 0.0017 0.0435 0.0579
Schistosoma mansoni methyl-cpg binding protein mbd 0.0016 0.0377 0.0377
Trypanosoma brucei target of rapamycin kinase 3, putative 0.0017 0.0435 0.4987
Giardia lamblia Sgs1 DNA helicase, putative 0.002 0.0596 1
Schistosoma mansoni ferritin light chain 0.001 0.0017 0.0017
Brugia malayi MH2 domain containing protein 0.0134 0.7146 1
Trypanosoma cruzi Phosphatidylinositol 3-kinase tor2 0.0017 0.0435 0.5226
Trypanosoma brucei unspecified product 0.0014 0.0227 0.2216
Schistosoma mansoni ferritin 0.001 0.0017 0.0017
Trichomonas vaginalis PIKK family atypical protein kinase 0.0017 0.0435 0.5257
Echinococcus granulosus bromodomain adjacent to zinc finger domain 0.0035 0.143 0.1415
Trichomonas vaginalis PIKK family atypical protein kinase 0.0017 0.0435 0.5257
Entamoeba histolytica hypothetical protein 0.0037 0.1549 1
Trypanosoma brucei DNA polymerase IV, putative 0.002 0.0587 0.7008
Trichomonas vaginalis DNA helicase recq, putative 0.002 0.0596 0.7287
Trypanosoma cruzi ISWI complex protein 0.0015 0.0279 0.3256
Schistosoma mansoni blooms syndrome DNA helicase 0.001 0.0023 0.0023
Toxoplasma gondii non-specific serine/threonine protein kinase 0.0011 0.006 0.0196
Trichomonas vaginalis DNA polymerase eta, putative 0.002 0.0587 0.7169
Leishmania major target of rapamycin kinase (TOR) kinase 3 0.0017 0.0435 0.0555
Loa Loa (eye worm) hypothetical protein 0.0037 0.1566 0.2166
Brugia malayi ImpB/MucB/SamB family protein 0.002 0.0587 0.0226
Brugia malayi ImpB/MucB/SamB family protein 0.002 0.0587 0.0226
Trypanosoma cruzi ATP-dependent DEAD/H DNA helicase recQ, putative 0.002 0.0596 0.7269
Trichomonas vaginalis PIKK family atypical protein kinase 0.0017 0.0435 0.5257
Brugia malayi Bromodomain containing protein 0.0072 0.3607 0.4727
Mycobacterium tuberculosis Possible DNA-damage-inducible protein P DinP (DNA polymerase V) (pol IV 2) (DNA nucleotidyltransferase (DNA-directed)) 0.002 0.0587 0.1861
Toxoplasma gondii target of rapamycin (TOR), putative 0.0017 0.0435 0.1413
Trichomonas vaginalis PIKK family atypical protein kinase 0.0017 0.0435 0.5257
Schistosoma mansoni hypothetical protein 0.0037 0.1549 0.1549
Echinococcus granulosus aldehyde dehydrogenase mitochondrial 0.0063 0.3076 0.3064
Leishmania major ATP-dependent DEAD/H DNA helicase recQ, putative 0.002 0.0596 0.1132
Loa Loa (eye worm) bromodomain containing protein 0.0017 0.0411 0.0546
Loa Loa (eye worm) ImpB/MucB/SamB family protein 0.002 0.0587 0.0792
Trichomonas vaginalis PIKK family atypical protein kinase 0.0017 0.0435 0.5257
Echinococcus multilocularis bloom syndrome protein 0.002 0.0596 0.058
Trichomonas vaginalis PIKK family atypical protein kinase 0.0017 0.0435 0.5257
Trypanosoma cruzi phosphatidylinositol kinase related protein, putative 0.0024 0.0811 1
Schistosoma mansoni aldehyde dehydrogenase 0.0063 0.3076 0.3076
Trypanosoma cruzi DNA polymerase kappa, putative 0.002 0.0587 0.7151
Schistosoma mansoni rab geranylgeranyl transferase alpha subunit 0.002 0.0587 0.0587
Echinococcus multilocularis bromodomain adjacent to zinc finger domain 0.0058 0.2755 0.2742
Leishmania major aldehyde dehydrogenase, mitochondrial precursor 0.0063 0.3076 1
Loa Loa (eye worm) ATP-dependent DNA helicase 0.002 0.0596 0.0805
Loa Loa (eye worm) phosphatidylinositol 3 0.0017 0.0435 0.0579
Trypanosoma brucei DNA polymerase kappa, putative 0.0014 0.0227 0.2216
Trypanosoma brucei DNA polymerase kappa, putative 0.002 0.0587 0.7008
Trichomonas vaginalis DNA helicase recq, putative 0.002 0.0596 0.7287
Entamoeba histolytica hypothetical protein 0.0037 0.1549 1
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0095 0.4913 0.4913
Trypanosoma brucei DNA polymerase kappa, putative 0.002 0.0587 0.7008
Entamoeba histolytica hypothetical protein 0.0024 0.0811 0.5237
Echinococcus multilocularis dna polymerase kappa 0.002 0.0587 0.057
Trypanosoma cruzi DNA polymerase kappa, putative 0.002 0.0587 0.7151
Echinococcus multilocularis ATP dependent DNA helicase Q1 0.002 0.0596 0.058
Trypanosoma brucei DNA polymerase kappa, putative 0.002 0.0587 0.7008
Trichomonas vaginalis PIKK family atypical protein kinase 0.0017 0.0435 0.5257
Mycobacterium tuberculosis Probable aldehyde dehydrogenase 0.0063 0.3076 1
Schistosoma mansoni ataxia telangiectasia mutated (atm)-related 0.0017 0.0435 0.0435
Trypanosoma cruzi phosphatidylinositol kinase related protein, putative 0.0021 0.0617 0.7541
Echinococcus multilocularis terminal deoxycytidyl transferase rev1 0.002 0.0587 0.057
Echinococcus multilocularis zinc finger protein 0.0019 0.0518 0.0501
Trypanosoma brucei phosphatidylinositol 3-related kinase, putative 0.0017 0.0435 0.4987
Loa Loa (eye worm) hypothetical protein 0.0016 0.0377 0.0498
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0095 0.4913 0.4913
Schistosoma mansoni ferritin 0.001 0.0017 0.0017
Trichomonas vaginalis PIKK family atypical protein kinase 0.0011 0.006 0.0539
Loa Loa (eye worm) hypothetical protein 0.002 0.0596 0.0805
Entamoeba histolytica phosphatidylinositol3-kinaseTor2, putative 0.0017 0.0435 0.2807
Trypanosoma brucei DNA polymerase kappa, putative 0.0014 0.0227 0.2216
Loa Loa (eye worm) hypothetical protein 0.0068 0.3369 0.4697
Echinococcus granulosus Basic leucine zipper bZIP transcription 0.0037 0.1549 0.1535
Echinococcus granulosus terminal deoxycytidyl transferase rev1 0.002 0.0587 0.057
Brugia malayi ATP-dependent DNA helicase, RecQ family protein 0.002 0.0596 0.024
Echinococcus multilocularis ATP dependent DNA helicase Q5 0.002 0.0596 0.058
Brugia malayi Phosphatidylinositol 3- and 4-kinase family protein 0.0024 0.0811 0.0561
Schistosoma mansoni DNA helicase recq1 0.002 0.0596 0.0596
Trypanosoma brucei phosphatidylinositol 3-kinase, putative 0.0017 0.0435 0.4987
Trichomonas vaginalis PIKK family atypical protein kinase 0.0017 0.0435 0.5257
Trypanosoma brucei DNA polymerase kappa, putative 0.002 0.0587 0.7008
Plasmodium vivax ADP-dependent DNA helicase RecQ, putative 0.001 0.0023 1
Echinococcus multilocularis serine protein kinase ATM 0.0024 0.0811 0.0795
Schistosoma mansoni ferritin light chain 0.001 0.0017 0.0017
Entamoeba histolytica deoxycytidyl transferase, putative 0.002 0.0587 0.3787
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0095 0.4913 0.4904
Plasmodium falciparum ATP-dependent DNA helicase Q1 0.002 0.0596 0.5
Wolbachia endosymbiont of Brugia malayi bacterioferritin/cytochrome b1 0.001 0.0017 0.5
Trypanosoma brucei DNA polymerase IV, putative 0.002 0.0587 0.7008
Toxoplasma gondii FATC domain-containing protein 0.0024 0.0811 0.2638
Trichomonas vaginalis PIKK family atypical protein kinase 0.0017 0.0435 0.5257
Loa Loa (eye worm) MH2 domain-containing protein 0.0134 0.7146 1
Trichomonas vaginalis PIKK family atypical protein kinase 0.0017 0.0435 0.5257
Trypanosoma brucei DNA polymerase kappa, putative 0.002 0.0587 0.7008
Schistosoma mansoni zinc finger protein 0.0015 0.0279 0.0279
Brugia malayi Bloom's syndrome protein homolog 0.002 0.0596 0.024
Loa Loa (eye worm) hypothetical protein 0.0041 0.1804 0.2501
Echinococcus multilocularis phosphatidylinositol 3 and 4 kinase 0.0017 0.0435 0.0418
Trichomonas vaginalis PIKK family atypical protein kinase 0.0017 0.0435 0.5257
Schistosoma mansoni methyl-cpg binding protein mbd 0.0016 0.0377 0.0377
Schistosoma mansoni ferritin 0.001 0.0017 0.0017
Schistosoma mansoni phosphatidylinositol 3-and 4-kinase 0.0017 0.0435 0.0435
Trichomonas vaginalis PIKK family atypical protein kinase 0.0017 0.0435 0.5257
Loa Loa (eye worm) hypothetical protein 0.0021 0.0617 0.0835
Entamoeba histolytica hypothetical protein 0.0037 0.1549 1
Echinococcus multilocularis dna polymerase eta 0.002 0.0587 0.057
Leishmania major target of rapamycin (TOR) kinase 2, putative 0.0017 0.0435 0.0555
Leishmania major phosphatidylinositol kinase related protein, putative 0.0018 0.0437 0.0562
Trypanosoma cruzi phosphatidylinositol kinase related protein, putative 0.0018 0.0437 0.525
Schistosoma mansoni ferritin 0.001 0.0017 0.0017
Trypanosoma brucei DNA polymerase kappa, putative 0.002 0.0587 0.7008
Trypanosoma brucei DNA polymerase kappa, putative 0.002 0.0587 0.7008
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0016 0.0377 0.0377
Trichomonas vaginalis PIKK family atypical protein kinase 0.0024 0.0811 1
Trypanosoma brucei ATP-dependent DEAD/H DNA helicase recQ, putative 0.002 0.0596 0.7133
Echinococcus multilocularis geminin 0.0183 1 1
Trypanosoma brucei DNA polymerase kappa, putative 0.002 0.0587 0.7008
Leishmania major DNA polymerase kappa, putative,DNA polymerase IV, putative 0.002 0.0587 0.1098
Trichomonas vaginalis PIKK family atypical protein kinase 0.0017 0.0435 0.5257
Schistosoma mansoni hypothetical protein 0.0183 1 1
Trypanosoma cruzi target of rapamycin kinase 3 0.0017 0.0435 0.5226
Echinococcus granulosus fetal alzheimer antigen falz 0.0022 0.0683 0.0667
Trypanosoma cruzi ISWI complex protein 0.0015 0.0279 0.3256
Trypanosoma brucei DNA polymerase eta, putative 0.002 0.0587 0.7008
Echinococcus granulosus methyl CpG binding domain protein 2 0.0016 0.0377 0.036
Toxoplasma gondii aldehyde dehydrogenase 0.0063 0.3076 1
Trypanosoma cruzi DNA polymerase kappa, putative 0.002 0.0587 0.7151
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0095 0.4913 0.4904
Loa Loa (eye worm) GTP-binding regulatory protein Gs alpha-S chain 0.0095 0.4913 0.6865
Giardia lamblia DINP protein human, muc B family 0.002 0.0587 0.942
Brugia malayi hypothetical protein 0.0037 0.1549 0.1661
Trypanosoma brucei DNA polymerase IV, putative 0.002 0.0587 0.7008
Trichomonas vaginalis PIKK family atypical protein kinase 0.0017 0.0435 0.5257
Schistosoma mansoni DNA helicase recq5 0.002 0.0596 0.0596
Trypanosoma brucei DNA polymerase kappa, putative 0.002 0.0587 0.7008
Trichomonas vaginalis PIKK family atypical protein kinase 0.0017 0.0435 0.5257
Schistosoma mansoni apoferritin-2 0.001 0.0017 0.0017
Echinococcus multilocularis histone lysine methyltransferase setb histone lysine methyltransferase eggless 0.0016 0.0377 0.036
Toxoplasma gondii ATP-dependent DNA helicase, RecQ family protein 0.002 0.0596 0.1937
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0095 0.4913 0.4913
Echinococcus granulosus histone lysine methyltransferase setb 0.0016 0.0377 0.036
Trichomonas vaginalis PIKK family atypical protein kinase 0.0017 0.0435 0.5257
Schistosoma mansoni transcription factor LCR-F1 0.0037 0.1549 0.1549
Trichomonas vaginalis PIKK family atypical protein kinase 0.0017 0.0435 0.5257
Mycobacterium ulcerans aldehyde dehydrogenase 0.0063 0.3076 1
Echinococcus granulosus bromodomain adjacent to zinc finger domain 0.0058 0.2755 0.2742
Trichomonas vaginalis PIKK family atypical protein kinase 0.0017 0.0435 0.5257
Schistosoma mansoni acetyl-CoA C-acetyltransferase 0.0022 0.0683 0.0683
Trichomonas vaginalis conserved hypothetical protein 0.0011 0.006 0.0539
Trichomonas vaginalis PIKK family atypical protein kinase 0.0017 0.0435 0.5257
Treponema pallidum ATP-dependent DNA helicase 0.001 0.0023 1
Schistosoma mansoni hypothetical protein 0.0015 0.0279 0.0279
Trypanosoma brucei ISWI complex protein 0.0015 0.0279 0.2919
Loa Loa (eye worm) hypothetical protein 0.0011 0.006 0.0053
Echinococcus granulosus FKBP12 rapamycin complex associated protein 0.0017 0.0435 0.0418
Trypanosoma brucei unspecified product 0.0014 0.0227 0.2216
Entamoeba histolytica recQ family DNA helicase 0.001 0.0023 0.0146
Trypanosoma cruzi DNA polymerase eta, putative 0.002 0.0587 0.7151
Trypanosoma brucei DNA polymerase kappa, putative 0.0014 0.0227 0.2216
Schistosoma mansoni zinc finger protein 0.0019 0.0518 0.0518
Schistosoma mansoni aldehyde dehydrogenase 0.0063 0.3076 0.3076
Echinococcus granulosus phosphatidylinositol 3 and 4 kinase 0.0017 0.0435 0.0418
Trichomonas vaginalis PIKK family atypical protein kinase 0.0017 0.0435 0.5257
Schistosoma mansoni terminal deoxycytidyl transferase 0.002 0.0587 0.0587
Toxoplasma gondii ATP-dependent DNA helicase, RecQ family protein 0.002 0.0596 0.1937
Echinococcus multilocularis methyl CpG binding domain protein 2 0.0016 0.0377 0.036
Trichomonas vaginalis DNA polymerase IV / kappa, putative 0.002 0.0587 0.7169
Echinococcus granulosus ATP dependent DNA helicase Q5 0.002 0.0596 0.058
Schistosoma mansoni hypothetical protein 0.0183 1 1
Trichomonas vaginalis PIKK family atypical protein kinase 0.0017 0.0435 0.5257
Echinococcus multilocularis aldehyde dehydrogenase, mitochondrial 0.0063 0.3076 0.3064
Entamoeba histolytica recQ family helicase, putative 0.002 0.0596 0.3847
Trichomonas vaginalis PIKK family atypical protein kinase 0.0017 0.0435 0.5257

Activities

Activity type Activity value Assay description Source Reference
Potency (functional) 2.3323 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 (binding) = 19.9526 um PUBCHEM_BIOASSAY: qHTS Assay for Identification of Novel General Anesthetics. In this assay, a GABAergic mimetic model system, apoferritin and a profluorescent 1-aminoanthracene ligand (1-AMA), was used to construct a competitive binding assay for identification of novel general anesthetics (Class of assay: confirmatory) [Related pubchem assays: 2385 (Probe Development Summary for Identification of Novel General Anesthetics), 2323 (Validation apoferritin assay run on SigmaAldrich LOPAC1280 collection)] ChEMBL. No reference
Potency (functional) = 22.3872 um PUBCHEM_BIOASSAY: qHTS Inhibitors of AmpC Beta-Lactamase (assay with detergent). (Class of assay: confirmatory) [Related pubchem assays: 1002 (Confirmation Concentration-Response Assay for Inhibitors of AmpC Beta-Lactamase (assay with detergent)), 585 (Promiscuous and Specific Inhibitors of AmpC Beta-Lactamase (assay without detergent) - a screen old NIH MLSMR collection), 584 (Promiscuous and Specific Inhibitors of AmpC Beta-Lactamase (assay with detergent) - a screen of the old NIH MLSMR collection), 1003 (Confirmation Cuvette-Based Assay for Inhibitors of AmpC Beta-Lactamase (assay with detergent))] ChEMBL. No reference
Potency (functional) 28.1838 uM PubChem BioAssay. qHTS of GLP-1 Receptor Inverse Agonists (Inhibition Mode). (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

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.
 
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.

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