Detailed information for compound 840207

Basic information

Technical information
  • TDR Targets ID: 840207
  • Name: 1-[(3-methyl-2-oxo-1,3-benzoxazol-6-yl)sulfon yl]-N,N-dipropylpiperidine-3-carboxamide
  • MW: 423.526 | Formula: C20H29N3O5S
  • H donors: 0 H acceptors: 4 LogP: 2.21 Rotable bonds: 8
    Rule of 5 violations (Lipinski): 1
  • SMILES: CCCN(C(=O)C1CCCN(C1)S(=O)(=O)c1ccc2c(c1)oc(=O)n2C)CCC
  • InChi: 1S/C20H29N3O5S/c1-4-10-22(11-5-2)19(24)15-7-6-12-23(14-15)29(26,27)16-8-9-17-18(13-16)28-20(25)21(17)3/h8-9,13,15H,4-7,10-12,14H2,1-3H3
  • InChiKey: BMNRCXMPFUYBFD-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

  • 1-[(3-methyl-2-oxo-1,3-benzoxazol-6-yl)sulfonyl]-N,N-dipropyl-piperidine-3-carboxamide
  • 1-[(3-methyl-2-oxo-1,3-benzoxazol-6-yl)sulfonyl]-N,N-dipropyl-3-piperidinecarboxamide
  • 1-[(2-keto-3-methyl-1,3-benzoxazol-6-yl)sulfonyl]-N,N-dipropyl-nipecotamide
  • C648-0063
  • NCGC00111239-01

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Homo sapiens tumor protein p53 Starlite/ChEMBL No references

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Echinococcus granulosus tumor protein p63 Get druggable targets OG5_140038 All targets in OG5_140038
Echinococcus multilocularis tumor protein p63 Get druggable targets OG5_140038 All targets in OG5_140038
By sequence similarity to non orthologous known druggable targets
No druggable targets predicted by sequence similarity
Obtained from network model

Ranking Plot

Putative Targets List

Species Potential target Raw Global Species
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0051 0.047 0.0411
Giardia lamblia Pyrophosphate-fructose 6-phosphate 1-phosphotransferase alpha subunit 0.0032 0.0219 0.0421
Trichomonas vaginalis phosphofructokinase, putative 0.0032 0.0219 0.0549
Echinococcus multilocularis excitatory amino acid transporter 2 0.0263 0.3152 0.3109
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0051 0.047 0.0411
Echinococcus granulosus terminal deoxycytidyl transferase rev1 0.0021 0.0082 0.002
Trypanosoma brucei DNA polymerase IV, putative 0.0021 0.0082 0.0334
Trichomonas vaginalis CAMK family protein kinase 0.0207 0.2444 0.642
Loa Loa (eye worm) glycosyl hydrolase family 31 protein 0.0041 0.0334 0.0771
Leishmania major DNA polymerase eta, putative 0.0021 0.0082 0.0292
Trichomonas vaginalis CAMK family protein kinase 0.0207 0.2444 0.642
Leishmania major tyrosyl-DNA phosphodiesterase 1 0.0067 0.0671 0.2715
Trypanosoma cruzi polo-like protein kinase, putative 0.0207 0.2444 1
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0051 0.047 0.0411
Trypanosoma brucei tyrosyl-DNA Phosphodiesterase (Tdp1), putative 0.0067 0.0671 0.2746
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.0314 0.3801 1
Plasmodium vivax GTP-binding nuclear protein RAN/TC4, putative 0.0024 0.0121 0.3543
Chlamydia trachomatis glutamate symporter 0.0263 0.3152 1
Trichomonas vaginalis sucrase-isomaltase, putative 0.0041 0.0334 0.0853
Loa Loa (eye worm) GTP-binding regulatory protein Gs alpha-S chain 0.0051 0.047 0.1097
Trichomonas vaginalis ap endonuclease, putative 0.0019 0.0062 0.0135
Toxoplasma gondii HEAT repeat-containing protein 0.0032 0.0229 0.617
Brugia malayi 6-phosphofructokinase 0.0117 0.13 0.4104
Toxoplasma gondii 6-phosphofructokinase 0.0032 0.0219 0.5776
Trypanosoma brucei DNA polymerase kappa, putative 0.0021 0.0082 0.0334
Brugia malayi MH2 domain containing protein 0.0139 0.158 0.4996
Trypanosoma cruzi importin beta-1 subunit, putative 0.0026 0.0152 0.0581
Trichomonas vaginalis DNA polymerase eta, putative 0.0021 0.0082 0.0188
Echinococcus multilocularis excitatory amino acid transporter 2 0.0263 0.3152 0.3109
Plasmodium vivax importin-beta 2, putative 0.0032 0.0229 1
Echinococcus granulosus neutral alpha glucosidase AB 0.0041 0.0334 0.0274
Echinococcus multilocularis tyrosyl DNA phosphodiesterase 1 0.0067 0.0671 0.0613
Brugia malayi serine/threonine-protein kinase plk-2 0.0207 0.2444 0.7746
Brugia malayi 6-phosphofructokinase 0.0117 0.13 0.4104
Schistosoma mansoni alpha glucosidase 0.0041 0.0334 0.0274
Trichomonas vaginalis Importin beta-1 subunit, putative 0.0026 0.0152 0.0373
Entamoeba histolytica Ran family GTPase 0.0024 0.0121 0.0292
Loa Loa (eye worm) PLK/PLK1 protein kinase 0.0207 0.2444 0.5802
Trypanosoma brucei DNA polymerase kappa, putative 0.0021 0.0082 0.0334
Entamoeba histolytica glycosyl hydrolase, family 31 protein 0.0041 0.0334 0.0853
Trichomonas vaginalis phosphofructokinase, putative 0.0117 0.13 0.3401
Echinococcus multilocularis excitatory amino acid transporter 3 0.0263 0.3152 0.3109
Trichomonas vaginalis alpha-glucosidase, putative 0.0041 0.0334 0.0853
Trypanosoma brucei glucosidase, putative 0.0041 0.0334 0.1366
Loa Loa (eye worm) 6-phosphofructokinase 0.0117 0.13 0.3074
Trichomonas vaginalis DNA polymerase IV / kappa, putative 0.0021 0.0082 0.0188
Trypanosoma brucei DNA polymerase kappa, putative 0.0021 0.0082 0.0334
Loa Loa (eye worm) ImpB/MucB/SamB family protein 0.0021 0.0082 0.017
Giardia lamblia GTP-binding nuclear protein RAN/TC4 0.0024 0.0121 0.0159
Brugia malayi Importin beta-1 subunit 0.0032 0.0229 0.0697
Echinococcus multilocularis neutral amino acid transporter excitatory amino acid transporter 0.0117 0.1296 0.1242
Loa Loa (eye worm) 6-phosphofructokinase 0.0117 0.13 0.3074
Onchocerca volvulus 0.006 0.0575 0.1798
Chlamydia trachomatis neutral amino acid transporter 0.0117 0.1296 0.3673
Trichomonas vaginalis phosphofructokinase, putative 0.0117 0.13 0.3401
Trichomonas vaginalis alpha-glucosidase, putative 0.0041 0.0334 0.0853
Entamoeba histolytica serine/threonine protein kinase, putative 0.0207 0.2444 0.642
Giardia lamblia Kinase, PLK 0.0207 0.2444 0.6371
Brugia malayi GTP-binding regulatory protein Gs alpha-S chain, putative 0.0051 0.047 0.1464
Echinococcus multilocularis Excitatory amino acid transporter 0.0263 0.3152 0.3109
Entamoeba histolytica deoxycytidyl transferase, putative 0.0021 0.0082 0.0188
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.0314 0.3801 1
Echinococcus multilocularis neutral amino acid transporter excitatory amino acid transporter 0.0263 0.3152 0.3109
Loa Loa (eye worm) MH2 domain-containing protein 0.0139 0.158 0.3742
Brugia malayi ImpB/MucB/SamB family protein 0.0021 0.0082 0.0226
Trypanosoma brucei DNA polymerase kappa, putative 0.0021 0.0082 0.0334
Mycobacterium tuberculosis Possible DNA-damage-inducible protein P DinP (DNA polymerase V) (pol IV 2) (DNA nucleotidyltransferase (DNA-directed)) 0.0021 0.0082 0.0065
Trypanosoma cruzi hypothetical protein, conserved 0.0041 0.0334 0.1328
Loa Loa (eye worm) glycosyl hydrolase family 31 protein 0.0183 0.214 0.5077
Leishmania major ATP-dependent phosphofructokinase 0.0117 0.13 0.5298
Schistosoma mansoni serine/threonine protein kinase 0.0207 0.2444 0.2397
Echinococcus multilocularis terminal deoxycytidyl transferase rev1 0.0021 0.0082 0.002
Plasmodium falciparum importin beta, putative 0.0032 0.0229 1
Echinococcus multilocularis tumor protein p63 0.0408 0.4987 0.4956
Echinococcus granulosus tumor protein p63 0.0408 0.4987 0.4956
Brugia malayi exodeoxyribonuclease III family protein 0.0019 0.0062 0.0162
Onchocerca volvulus Excitatory amino acid transporter homolog 0.0263 0.3152 1
Echinococcus granulosus neutral amino acid transporter A 0.0263 0.3152 0.3109
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0051 0.047 0.0411
Entamoeba histolytica pyrophosphate-dependent phosphofructokinase 0.0032 0.0219 0.0549
Brugia malayi Glycosyl hydrolases family 31 protein 0.0183 0.214 0.6779
Echinococcus granulosus dna polymerase eta 0.0021 0.0082 0.002
Trypanosoma brucei ATP-dependent 6-phosphofructokinase, glycosomal 0.0117 0.13 0.5318
Toxoplasma gondii phosphofructokinase domain-containing protein 0.0032 0.0219 0.5776
Loa Loa (eye worm) GTP-binding nuclear protein RAN/TC4 0.0024 0.0121 0.0264
Trichomonas vaginalis alpha-glucosidase, putative 0.0041 0.0334 0.0853
Trichomonas vaginalis phosphofructokinase, putative 0.0032 0.0219 0.0549
Trypanosoma brucei importin beta-1 subunit, putative 0.0032 0.0229 0.0939
Trichomonas vaginalis maltase-glucoamylase, putative 0.0041 0.0334 0.0853
Toxoplasma gondii GTP-binding nuclear protein ran/tc4 0.0024 0.0121 0.2186
Trypanosoma brucei DNA polymerase kappa, putative 0.0021 0.0082 0.0334
Echinococcus granulosus importin subunit beta 1 0.0032 0.0229 0.0169
Plasmodium vivax 6-phosphofructokinase, putative 0.0032 0.0219 0.9362
Loa Loa (eye worm) exodeoxyribonuclease III family protein 0.0019 0.0062 0.0122
Mycobacterium tuberculosis Probable C4-dicarboxylate-transport transmembrane protein DctA 0.0263 0.3152 1
Entamoeba histolytica exodeoxyribonuclease III, putative 0.0019 0.0062 0.0135
Schistosoma mansoni 6-phosphofructokinase 0.0117 0.13 0.1246
Leishmania major apurinic/apyrimidinic endonuclease-redox protein 0.0019 0.0062 0.021
Loa Loa (eye worm) excitatory amino acid transporter 0.0263 0.3152 0.749
Loa Loa (eye worm) hypothetical protein 0.0021 0.0082 0.017
Plasmodium falciparum ATP-dependent 6-phosphofructokinase 0.0032 0.0219 0.9362
Schistosoma mansoni terminal deoxycytidyl transferase 0.0021 0.0082 0.002
Trypanosoma cruzi DNA polymerase kappa, putative 0.0021 0.0082 0.0292
Brugia malayi RNA, U transporter 1 0.0092 0.0987 0.3108
Treponema pallidum fructose-bisphosphate aldolase 0.0314 0.3801 1
Trichomonas vaginalis importin beta-1, putative 0.0026 0.0152 0.0373
Echinococcus multilocularis neutral alpha glucosidase AB 0.0041 0.0334 0.0274
Schistosoma mansoni cellular tumor antigen P53 0.006 0.0575 0.0517
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0051 0.047 0.0411
Trypanosoma cruzi tyrosyl-DNA Phosphodiesterase (Tdp1), putative 0.0067 0.0671 0.2715
Echinococcus granulosus transcription factor Dp 1 0.0039 0.0312 0.0252
Echinococcus granulosus 6 phosphofructokinase 0.0117 0.13 0.1246
Trichomonas vaginalis phosphofructokinase, putative 0.0032 0.0219 0.0549
Echinococcus multilocularis sodium:dicarboxylate symporter 0.0263 0.3152 0.3109
Trypanosoma brucei DNA polymerase kappa, putative 0.0021 0.0082 0.0334
Echinococcus granulosus lysosomal alpha glucosidase 0.0183 0.214 0.2091
Echinococcus multilocularis microtubule associated protein 2 0.0804 1 1
Echinococcus multilocularis 6 phosphofructokinase 0.0117 0.13 0.1246
Schistosoma mansoni sodium/dicarboxylate symporter-related 0.0117 0.1296 0.1242
Trypanosoma cruzi hypothetical protein, conserved 0.0041 0.0334 0.1328
Trypanosoma brucei DNA polymerase kappa, putative 0.0021 0.0082 0.0334
Echinococcus granulosus dna polymerase kappa 0.0021 0.0082 0.002
Leishmania major protein kinase, putative,polo-like protein kinase, putative 0.0207 0.2444 1
Brugia malayi ImpB/MucB/SamB family protein 0.0021 0.0082 0.0226
Trypanosoma brucei unspecified product 0.0021 0.0082 0.0334
Schistosoma mansoni rab geranylgeranyl transferase alpha subunit 0.0021 0.0082 0.002
Echinococcus multilocularis sodium:dicarboxylate symporter 0.0117 0.1296 0.1242
Echinococcus granulosus neutral amino acid transporter A 0.0263 0.3152 0.3109
Echinococcus multilocularis GTP binding nuclear protein Ran 0.0024 0.0121 0.006
Loa Loa (eye worm) hypothetical protein 0.0032 0.0229 0.0522
Plasmodium vivax 6-phosphofructokinase, putative 0.0032 0.0219 0.9362
Trypanosoma brucei DNA polymerase kappa, putative 0.0021 0.0082 0.0334
Mycobacterium ulcerans DNA polymerase IV 0.0021 0.0082 0.0118
Echinococcus multilocularis lysosomal alpha glucosidase 0.0183 0.214 0.2091
Trypanosoma cruzi DNA polymerase eta, putative 0.0021 0.0082 0.0292
Echinococcus multilocularis Excitatory amino acid transporter 0.0263 0.3152 0.3109
Trichomonas vaginalis phosphofructokinase, putative 0.0032 0.0219 0.0549
Trichomonas vaginalis Importin beta-1 subunit, putative 0.0026 0.0152 0.0373
Echinococcus multilocularis serine:threonine protein kinase PLK1 0.0207 0.2444 0.2397
Plasmodium falciparum ATP-dependent 6-phosphofructokinase 0.0032 0.0219 0.9362
Trichomonas vaginalis CAMK family protein kinase 0.0207 0.2444 0.642
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.0314 0.3801 1
Trypanosoma brucei DNA polymerase kappa, putative 0.0021 0.0082 0.0334
Echinococcus granulosus snurportin 1 0.0346 0.4205 0.4169
Giardia lamblia DINP protein human, muc B family 0.0021 0.0082 0.0054
Trichomonas vaginalis phosphofructokinase, putative 0.0117 0.13 0.3401
Trichomonas vaginalis alpha-glucosidase, putative 0.0041 0.0334 0.0853
Mycobacterium leprae Probable fructose bisphosphate aldolase Fba 0.0154 0.1764 1
Giardia lamblia Fructose-bisphosphate aldolase 0.0314 0.3801 1
Echinococcus multilocularis lysosomal alpha glucosidase 0.0183 0.214 0.2091
Echinococcus granulosus excitatory amino acid transporter 3 0.0263 0.3152 0.3109
Echinococcus granulosus excitatory amino acid transporter 2 0.0263 0.3152 0.3109
Treponema pallidum diphosphate--fructose-6-phosphate 1-phosphotransferase 0.0032 0.0219 0.0421
Loa Loa (eye worm) hypothetical protein 0.006 0.0575 0.1346
Loa Loa (eye worm) tyrosyl-DNA phosphodiesterase 0.0067 0.0671 0.1575
Schistosoma mansoni tyrosyl-DNA phosphodiesterase 0.0067 0.0671 0.0613
Trichomonas vaginalis CAMK family protein kinase 0.0103 0.1118 0.2922
Schistosoma mansoni DNA polymerase eta 0.0021 0.0082 0.002
Treponema pallidum diphosphate--fructose-6-phosphate 1-phosphotransferase 0.0117 0.13 0.3311
Schistosoma mansoni importin beta-1 0.0032 0.0229 0.0169
Echinococcus multilocularis dna polymerase kappa 0.0021 0.0082 0.002
Trypanosoma brucei DNA polymerase eta, putative 0.0021 0.0082 0.0334
Trichomonas vaginalis phosphofructokinase, putative 0.0032 0.0219 0.0549
Leishmania major importin beta-1 subunit, putative 0.0026 0.0152 0.0581
Entamoeba histolytica fructose-1,6-bisphosphate aldolase, putative 0.0314 0.3801 1
Entamoeba histolytica tyrosyl-DNA phosphodiesterase, putative 0.0067 0.0671 0.1743
Brugia malayi GTP-binding nuclear protein RAN/TC4 0.0024 0.0121 0.0352
Trypanosoma cruzi tyrosyl-DNA Phosphodiesterase (Tdp1), putative 0.0067 0.0671 0.2715
Loa Loa (eye worm) phosphofructokinase 0.0117 0.13 0.3074
Schistosoma mansoni sodium/dicarboxylate symporter-related 0.0117 0.1296 0.1242
Trichomonas vaginalis neutral alpha-glucosidase ab precursor, putative 0.0041 0.0334 0.0853
Schistosoma mansoni kinase 0.0105 0.1153 0.1098
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.0314 0.3801 1
Plasmodium falciparum GTP-binding nuclear protein RAN/TC4 0.0024 0.0121 0.3543
Trypanosoma cruzi GTP-binding nuclear protein rtb2, putative 0.0024 0.0121 0.0454
Trypanosoma cruzi ATP-dependent 6-phosphofructokinase, glycosomal 0.0117 0.13 0.5298
Schistosoma mansoni alpha-glucosidase 0.0158 0.1817 0.1766
Treponema pallidum glutamate transporter 0.0117 0.1296 0.3301
Wolbachia endosymbiont of Brugia malayi Na+/H+-dicarboxylate symporter 0.0263 0.3152 1
Echinococcus granulosus sodium:dicarboxylate symporter 0.0263 0.3152 0.3109
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0051 0.047 0.0411
Trypanosoma brucei apurinic/apyrimidinic endonuclease, putative 0.0019 0.0062 0.0252
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.0314 0.3801 1
Trypanosoma brucei DNA polymerase kappa, putative 0.0021 0.0082 0.0334
Trypanosoma cruzi DNA polymerase kappa, putative 0.0021 0.0082 0.0292
Brugia malayi Glycosyl hydrolases family 31 protein 0.0041 0.0334 0.1029
Trichomonas vaginalis CAMK family protein kinase 0.0207 0.2444 0.642
Echinococcus multilocularis dna polymerase eta 0.0021 0.0082 0.002
Trypanosoma cruzi apurinic/apyrimidinic endonuclease, putative 0.0019 0.0062 0.021
Echinococcus multilocularis importin subunit beta 1 0.0032 0.0229 0.0169
Mycobacterium tuberculosis Probable 6-phosphofructokinase PfkA (phosphohexokinase) (phosphofructokinase) 0.0117 0.13 0.4007
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0051 0.047 0.0411
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.0314 0.3801 1
Entamoeba histolytica hypothetical protein 0.0026 0.0152 0.0373
Trichomonas vaginalis CAMK family protein kinase 0.0103 0.1118 0.2922
Entamoeba histolytica phosphofructokinase, putative 0.0117 0.13 0.3401
Trichomonas vaginalis alpha-glucosidase, putative 0.0041 0.0334 0.0853
Trichomonas vaginalis CAMK family protein kinase 0.0207 0.2444 0.642
Schistosoma mansoni hypothetical protein 0.0346 0.4205 0.4169
Trichomonas vaginalis ap endonuclease, putative 0.0019 0.0062 0.0135
Mycobacterium tuberculosis Probable fructose-bisphosphate aldolase Fba 0.0154 0.1764 0.5509
Mycobacterium ulcerans fructose-bisphosphate aldolase 0.0154 0.1764 1
Entamoeba histolytica phosphofructokinase, putative 0.0117 0.13 0.3401
Entamoeba histolytica phosphofructokinase, putative 0.0117 0.13 0.3401
Schistosoma mansoni microtubule-associated protein tau 0.0804 1 1
Entamoeba histolytica glycosyl hydrolase, family 31 protein 0.0041 0.0334 0.0853
Trichomonas vaginalis phosphofructokinase, putative 0.0032 0.0219 0.0549
Onchocerca volvulus 0.0106 0.1161 0.3663
Leishmania major alpha glucosidase II subunit, putative 0.0041 0.0334 0.1328
Trichomonas vaginalis ran, putative 0.0024 0.0121 0.0292
Echinococcus multilocularis neutral amino acid transporter A 0.0263 0.3152 0.3109
Echinococcus multilocularis snurportin 1 0.0346 0.4205 0.4169
Mycobacterium ulcerans DNA polymerase IV 0.0021 0.0082 0.0118
Trypanosoma brucei DNA polymerase IV, putative 0.0021 0.0082 0.0334
Trypanosoma cruzi DNA polymerase kappa, putative 0.0021 0.0082 0.0292
Echinococcus granulosus Excitatory amino acid transporter 0.0263 0.3152 0.3109
Echinococcus granulosus excitatory amino acid transporter 2 0.0263 0.3152 0.3109
Trypanosoma brucei polo-like protein kinase 0.0207 0.2444 1
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.0314 0.3801 1
Loa Loa (eye worm) transcription factor SMAD2 0.0139 0.158 0.3742
Mycobacterium ulcerans 6-phosphofructokinase 0.0117 0.13 0.7273
Trypanosoma brucei importin beta-1 subunit, putative 0.0032 0.0229 0.0939
Leishmania major DNA polymerase kappa, putative 0.0021 0.0082 0.0292
Echinococcus multilocularis neutral amino acid transporter A 0.0263 0.3152 0.3109
Echinococcus granulosus Excitatory amino acid transporter 0.0263 0.3152 0.3109
Entamoeba histolytica fructose-1,6-bisphosphate aldolase, putative 0.0314 0.3801 1
Trypanosoma cruzi DNA polymerase kappa, putative 0.0021 0.0082 0.0292
Trichomonas vaginalis 6-phosphofructokinase, putative 0.0032 0.0219 0.0549
Brugia malayi phosphofructokinase 0.0117 0.13 0.4104
Schistosoma mansoni ran 0.0024 0.0121 0.006
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.0314 0.3801 1
Trypanosoma cruzi polo-like protein kinase, putative 0.0207 0.2444 1
Onchocerca volvulus Serine\/threonine kinase homolog 0.0207 0.2444 0.7746
Echinococcus multilocularis neutral amino acid transporter A 0.0263 0.3152 0.3109
Treponema pallidum glutamate/aspartate transporter 0.0117 0.1296 0.3301
Mycobacterium tuberculosis Conserved hypothetical protein 0.0021 0.0082 0.0065
Schistosoma mansoni 6-phosphofructokinase 0.0117 0.13 0.1246
Toxoplasma gondii phosphofructokinase PFKII 0.0032 0.0219 0.5776
Echinococcus multilocularis transcription factor Dp 1 0.0039 0.0312 0.0252
Leishmania major DNA polymerase kappa, putative,DNA polymerase IV, putative 0.0021 0.0082 0.0292
Trichomonas vaginalis phosphofructokinase, putative 0.0117 0.13 0.3401
Leishmania major GTP-binding protein, putative 0.0024 0.0121 0.0454
Echinococcus granulosus neutral amino acid transporter 0.0263 0.3152 0.3109
Schistosoma mansoni solute carrier family 1 (glial high affinity glutamate transporter 0.0263 0.3152 0.3109
Echinococcus granulosus tyrosyl DNA phosphodiesterase 1 0.0067 0.0671 0.0613
Brugia malayi Excitatory amino acid transporter 0.0263 0.3152 1
Trypanosoma cruzi apurinic/apyrimidinic endonuclease 0.0019 0.0062 0.021
Echinococcus granulosus serine:threonine protein kinase PLK1 0.0207 0.2444 0.2397
Toxoplasma gondii glycosyl hydrolase, family 31 protein 0.0041 0.0334 1
Schistosoma mansoni ran 0.0024 0.0121 0.006
Trichomonas vaginalis CAMK family protein kinase 0.0207 0.2444 0.642
Schistosoma mansoni alpha-glucosidase 0.0158 0.1817 0.1766
Trypanosoma brucei GTP-binding nuclear protein rtb2, putative 0.0024 0.0121 0.0495
Brugia malayi Tyrosyl-DNA phosphodiesterase family protein 0.0067 0.0671 0.2103
Trichomonas vaginalis CAMK family protein kinase 0.0207 0.2444 0.642
Echinococcus granulosus GTP binding nuclear protein Ran 0.0024 0.0121 0.006
Trichomonas vaginalis neutral alpha-glucosidase ab precursor, putative 0.0041 0.0334 0.0853
Trypanosoma cruzi GTP-binding nuclear protein rtb2, putative 0.0024 0.0121 0.0454
Trypanosoma brucei glycosyl hydrolase-like protein 0.0015 0.0011 0.0043
Trypanosoma brucei DNA polymerase IV, putative 0.0021 0.0082 0.0334
Loa Loa (eye worm) nucleolar RNA-associated protein alpha 0.0346 0.4205 1

Activities

Activity type Activity value Assay description Source Reference
Potency (functional) 1.8526 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) = 19.9526 um PUBCHEM_BIOASSAY: qHTS Screen for Compounds that Selectively Target Cancer Cells with p53 Mutations: Cytotoxicity of p53 Null Cells at the Permissive Temperature. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) = 31.6228 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) 44.6684 uM PUBCHEM_BIOASSAY: qHTS for Inhibitors of Polymerase Iota. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID588623] 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.
 
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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