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 multilocularis tumor protein p63 Get druggable targets OG5_140038 All targets in OG5_140038
Echinococcus granulosus 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
Trypanosoma cruzi importin beta-1 subunit, putative 0.0026 0.0152 0.0581
Trypanosoma brucei importin beta-1 subunit, putative 0.0032 0.0229 0.0939
Trichomonas vaginalis phosphofructokinase, putative 0.0117 0.13 0.3401
Trichomonas vaginalis phosphofructokinase, putative 0.0117 0.13 0.3401
Trypanosoma brucei polo-like protein kinase 0.0207 0.2444 1
Leishmania major DNA polymerase kappa, putative 0.0021 0.0082 0.0292
Schistosoma mansoni cellular tumor antigen P53 0.006 0.0575 0.0517
Trichomonas vaginalis CAMK family protein kinase 0.0207 0.2444 0.642
Toxoplasma gondii phosphofructokinase domain-containing protein 0.0032 0.0219 0.5776
Echinococcus granulosus sodium:dicarboxylate symporter 0.0263 0.3152 0.3109
Schistosoma mansoni rab geranylgeranyl transferase alpha subunit 0.0021 0.0082 0.002
Plasmodium falciparum GTP-binding nuclear protein RAN/TC4 0.0024 0.0121 0.3543
Trichomonas vaginalis importin beta-1, putative 0.0026 0.0152 0.0373
Trypanosoma brucei DNA polymerase kappa, putative 0.0021 0.0082 0.0334
Echinococcus multilocularis transcription factor Dp 1 0.0039 0.0312 0.0252
Echinococcus multilocularis neutral amino acid transporter A 0.0263 0.3152 0.3109
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
Echinococcus multilocularis 6 phosphofructokinase 0.0117 0.13 0.1246
Trichomonas vaginalis phosphofructokinase, putative 0.0117 0.13 0.3401
Schistosoma mansoni hypothetical protein 0.0346 0.4205 0.4169
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.0314 0.3801 1
Echinococcus multilocularis tumor protein p63 0.0408 0.4987 0.4956
Brugia malayi exodeoxyribonuclease III family protein 0.0019 0.0062 0.0162
Wolbachia endosymbiont of Brugia malayi Na+/H+-dicarboxylate symporter 0.0263 0.3152 1
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.0314 0.3801 1
Trypanosoma brucei glycosyl hydrolase-like protein 0.0015 0.0011 0.0043
Echinococcus multilocularis neutral amino acid transporter excitatory amino acid transporter 0.0263 0.3152 0.3109
Echinococcus granulosus tumor protein p63 0.0408 0.4987 0.4956
Trypanosoma brucei DNA polymerase kappa, putative 0.0021 0.0082 0.0334
Trichomonas vaginalis maltase-glucoamylase, putative 0.0041 0.0334 0.0853
Mycobacterium tuberculosis Conserved hypothetical protein 0.0021 0.0082 0.0065
Toxoplasma gondii HEAT repeat-containing protein 0.0032 0.0229 0.617
Loa Loa (eye worm) excitatory amino acid transporter 0.0263 0.3152 0.749
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0051 0.047 0.0411
Echinococcus multilocularis sodium:dicarboxylate symporter 0.0263 0.3152 0.3109
Schistosoma mansoni alpha glucosidase 0.0041 0.0334 0.0274
Schistosoma mansoni ran 0.0024 0.0121 0.006
Trichomonas vaginalis Importin beta-1 subunit, putative 0.0026 0.0152 0.0373
Trichomonas vaginalis phosphofructokinase, putative 0.0117 0.13 0.3401
Loa Loa (eye worm) nucleolar RNA-associated protein alpha 0.0346 0.4205 1
Trichomonas vaginalis 6-phosphofructokinase, putative 0.0032 0.0219 0.0549
Trichomonas vaginalis DNA polymerase IV / kappa, putative 0.0021 0.0082 0.0188
Brugia malayi 6-phosphofructokinase 0.0117 0.13 0.4104
Trichomonas vaginalis sucrase-isomaltase, putative 0.0041 0.0334 0.0853
Entamoeba histolytica pyrophosphate-dependent phosphofructokinase 0.0032 0.0219 0.0549
Trichomonas vaginalis CAMK family protein kinase 0.0207 0.2444 0.642
Leishmania major DNA polymerase eta, putative 0.0021 0.0082 0.0292
Echinococcus granulosus excitatory amino acid transporter 2 0.0263 0.3152 0.3109
Trichomonas vaginalis CAMK family protein kinase 0.0207 0.2444 0.642
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 excitatory amino acid transporter 2 0.0263 0.3152 0.3109
Schistosoma mansoni terminal deoxycytidyl transferase 0.0021 0.0082 0.002
Echinococcus multilocularis lysosomal alpha glucosidase 0.0183 0.214 0.2091
Echinococcus multilocularis excitatory amino acid transporter 3 0.0263 0.3152 0.3109
Trypanosoma cruzi tyrosyl-DNA Phosphodiesterase (Tdp1), putative 0.0067 0.0671 0.2715
Mycobacterium tuberculosis Probable C4-dicarboxylate-transport transmembrane protein DctA 0.0263 0.3152 1
Trypanosoma brucei GTP-binding nuclear protein rtb2, putative 0.0024 0.0121 0.0495
Trichomonas vaginalis phosphofructokinase, putative 0.0032 0.0219 0.0549
Trypanosoma cruzi GTP-binding nuclear protein rtb2, putative 0.0024 0.0121 0.0454
Giardia lamblia Kinase, PLK 0.0207 0.2444 0.6371
Loa Loa (eye worm) hypothetical protein 0.006 0.0575 0.1346
Echinococcus multilocularis terminal deoxycytidyl transferase rev1 0.0021 0.0082 0.002
Mycobacterium ulcerans 6-phosphofructokinase 0.0117 0.13 0.7273
Entamoeba histolytica serine/threonine protein kinase, putative 0.0207 0.2444 0.642
Echinococcus granulosus importin subunit beta 1 0.0032 0.0229 0.0169
Schistosoma mansoni microtubule-associated protein tau 0.0804 1 1
Trichomonas vaginalis ap endonuclease, putative 0.0019 0.0062 0.0135
Entamoeba histolytica phosphofructokinase, putative 0.0117 0.13 0.3401
Trypanosoma cruzi DNA polymerase kappa, putative 0.0021 0.0082 0.0292
Brugia malayi Importin beta-1 subunit 0.0032 0.0229 0.0697
Schistosoma mansoni 6-phosphofructokinase 0.0117 0.13 0.1246
Trypanosoma brucei ATP-dependent 6-phosphofructokinase, glycosomal 0.0117 0.13 0.5318
Trichomonas vaginalis Importin beta-1 subunit, putative 0.0026 0.0152 0.0373
Plasmodium falciparum importin beta, putative 0.0032 0.0229 1
Trypanosoma cruzi DNA polymerase kappa, putative 0.0021 0.0082 0.0292
Mycobacterium tuberculosis Probable fructose-bisphosphate aldolase Fba 0.0154 0.1764 0.5509
Loa Loa (eye worm) PLK/PLK1 protein kinase 0.0207 0.2444 0.5802
Echinococcus granulosus lysosomal alpha glucosidase 0.0183 0.214 0.2091
Trypanosoma cruzi polo-like protein kinase, putative 0.0207 0.2444 1
Trypanosoma cruzi DNA polymerase eta, putative 0.0021 0.0082 0.0292
Brugia malayi RNA, U transporter 1 0.0092 0.0987 0.3108
Entamoeba histolytica hypothetical protein 0.0026 0.0152 0.0373
Schistosoma mansoni alpha-glucosidase 0.0158 0.1817 0.1766
Entamoeba histolytica deoxycytidyl transferase, putative 0.0021 0.0082 0.0188
Echinococcus multilocularis sodium:dicarboxylate symporter 0.0117 0.1296 0.1242
Trypanosoma cruzi GTP-binding nuclear protein rtb2, putative 0.0024 0.0121 0.0454
Echinococcus granulosus serine:threonine protein kinase PLK1 0.0207 0.2444 0.2397
Trypanosoma brucei DNA polymerase IV, putative 0.0021 0.0082 0.0334
Trichomonas vaginalis CAMK family protein kinase 0.0207 0.2444 0.642
Trypanosoma brucei DNA polymerase kappa, putative 0.0021 0.0082 0.0334
Brugia malayi 6-phosphofructokinase 0.0117 0.13 0.4104
Trichomonas vaginalis DNA polymerase eta, putative 0.0021 0.0082 0.0188
Loa Loa (eye worm) transcription factor SMAD2 0.0139 0.158 0.3742
Entamoeba histolytica phosphofructokinase, putative 0.0117 0.13 0.3401
Schistosoma mansoni kinase 0.0105 0.1153 0.1098
Trypanosoma brucei importin beta-1 subunit, putative 0.0032 0.0229 0.0939
Toxoplasma gondii phosphofructokinase PFKII 0.0032 0.0219 0.5776
Schistosoma mansoni alpha-glucosidase 0.0158 0.1817 0.1766
Brugia malayi Glycosyl hydrolases family 31 protein 0.0041 0.0334 0.1029
Brugia malayi Excitatory amino acid transporter 0.0263 0.3152 1
Schistosoma mansoni tyrosyl-DNA phosphodiesterase 0.0067 0.0671 0.0613
Echinococcus multilocularis importin subunit beta 1 0.0032 0.0229 0.0169
Trichomonas vaginalis alpha-glucosidase, putative 0.0041 0.0334 0.0853
Treponema pallidum glutamate/aspartate transporter 0.0117 0.1296 0.3301
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
Toxoplasma gondii 6-phosphofructokinase 0.0032 0.0219 0.5776
Schistosoma mansoni sodium/dicarboxylate symporter-related 0.0117 0.1296 0.1242
Leishmania major alpha glucosidase II subunit, putative 0.0041 0.0334 0.1328
Loa Loa (eye worm) glycosyl hydrolase family 31 protein 0.0183 0.214 0.5077
Loa Loa (eye worm) hypothetical protein 0.0032 0.0229 0.0522
Trypanosoma brucei tyrosyl-DNA Phosphodiesterase (Tdp1), putative 0.0067 0.0671 0.2746
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0051 0.047 0.0411
Giardia lamblia DINP protein human, muc B family 0.0021 0.0082 0.0054
Entamoeba histolytica Ran family GTPase 0.0024 0.0121 0.0292
Echinococcus multilocularis tyrosyl DNA phosphodiesterase 1 0.0067 0.0671 0.0613
Echinococcus granulosus neutral amino acid transporter A 0.0263 0.3152 0.3109
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.0314 0.3801 1
Trichomonas vaginalis neutral alpha-glucosidase ab precursor, putative 0.0041 0.0334 0.0853
Echinococcus granulosus dna polymerase kappa 0.0021 0.0082 0.002
Onchocerca volvulus Serine\/threonine kinase homolog 0.0207 0.2444 0.7746
Onchocerca volvulus Excitatory amino acid transporter homolog 0.0263 0.3152 1
Trypanosoma cruzi ATP-dependent 6-phosphofructokinase, glycosomal 0.0117 0.13 0.5298
Trichomonas vaginalis alpha-glucosidase, putative 0.0041 0.0334 0.0853
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.0314 0.3801 1
Loa Loa (eye worm) exodeoxyribonuclease III family protein 0.0019 0.0062 0.0122
Mycobacterium tuberculosis Probable 6-phosphofructokinase PfkA (phosphohexokinase) (phosphofructokinase) 0.0117 0.13 0.4007
Echinococcus multilocularis neutral amino acid transporter excitatory amino acid transporter 0.0117 0.1296 0.1242
Schistosoma mansoni ran 0.0024 0.0121 0.006
Trypanosoma cruzi hypothetical protein, conserved 0.0041 0.0334 0.1328
Trypanosoma cruzi DNA polymerase kappa, putative 0.0021 0.0082 0.0292
Trichomonas vaginalis CAMK family protein kinase 0.0207 0.2444 0.642
Trypanosoma cruzi apurinic/apyrimidinic endonuclease 0.0019 0.0062 0.021
Schistosoma mansoni solute carrier family 1 (glial high affinity glutamate transporter 0.0263 0.3152 0.3109
Echinococcus granulosus 6 phosphofructokinase 0.0117 0.13 0.1246
Mycobacterium leprae Probable fructose bisphosphate aldolase Fba 0.0154 0.1764 1
Trichomonas vaginalis phosphofructokinase, putative 0.0032 0.0219 0.0549
Echinococcus multilocularis Excitatory amino acid transporter 0.0263 0.3152 0.3109
Leishmania major protein kinase, putative,polo-like protein kinase, putative 0.0207 0.2444 1
Echinococcus granulosus Excitatory amino acid transporter 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
Leishmania major ATP-dependent phosphofructokinase 0.0117 0.13 0.5298
Echinococcus multilocularis neutral alpha glucosidase AB 0.0041 0.0334 0.0274
Trypanosoma brucei DNA polymerase kappa, putative 0.0021 0.0082 0.0334
Trichomonas vaginalis alpha-glucosidase, putative 0.0041 0.0334 0.0853
Loa Loa (eye worm) phosphofructokinase 0.0117 0.13 0.3074
Brugia malayi GTP-binding regulatory protein Gs alpha-S chain, putative 0.0051 0.047 0.1464
Brugia malayi ImpB/MucB/SamB family protein 0.0021 0.0082 0.0226
Giardia lamblia Pyrophosphate-fructose 6-phosphate 1-phosphotransferase alpha subunit 0.0032 0.0219 0.0421
Entamoeba histolytica fructose-1,6-bisphosphate aldolase, putative 0.0314 0.3801 1
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.0314 0.3801 1
Trypanosoma brucei DNA polymerase kappa, putative 0.0021 0.0082 0.0334
Plasmodium vivax 6-phosphofructokinase, putative 0.0032 0.0219 0.9362
Trypanosoma cruzi tyrosyl-DNA Phosphodiesterase (Tdp1), putative 0.0067 0.0671 0.2715
Echinococcus granulosus dna polymerase eta 0.0021 0.0082 0.002
Loa Loa (eye worm) glycosyl hydrolase family 31 protein 0.0041 0.0334 0.0771
Trypanosoma brucei DNA polymerase kappa, 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
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.0314 0.3801 1
Leishmania major tyrosyl-DNA phosphodiesterase 1 0.0067 0.0671 0.2715
Mycobacterium ulcerans DNA polymerase IV 0.0021 0.0082 0.0118
Trichomonas vaginalis CAMK family protein kinase 0.0207 0.2444 0.642
Trypanosoma brucei apurinic/apyrimidinic endonuclease, putative 0.0019 0.0062 0.0252
Echinococcus granulosus terminal deoxycytidyl transferase rev1 0.0021 0.0082 0.002
Entamoeba histolytica phosphofructokinase, putative 0.0117 0.13 0.3401
Schistosoma mansoni 6-phosphofructokinase 0.0117 0.13 0.1246
Trypanosoma brucei DNA polymerase kappa, putative 0.0021 0.0082 0.0334
Echinococcus granulosus neutral amino acid transporter 0.0263 0.3152 0.3109
Trypanosoma brucei DNA polymerase IV, putative 0.0021 0.0082 0.0334
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0051 0.047 0.0411
Echinococcus granulosus Excitatory amino acid transporter 0.0263 0.3152 0.3109
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.0314 0.3801 1
Trichomonas vaginalis neutral alpha-glucosidase ab precursor, putative 0.0041 0.0334 0.0853
Schistosoma mansoni importin beta-1 0.0032 0.0229 0.0169
Trichomonas vaginalis ap endonuclease, putative 0.0019 0.0062 0.0135
Trichomonas vaginalis alpha-glucosidase, putative 0.0041 0.0334 0.0853
Trichomonas vaginalis phosphofructokinase, putative 0.0032 0.0219 0.0549
Echinococcus multilocularis lysosomal alpha glucosidase 0.0183 0.214 0.2091
Brugia malayi ImpB/MucB/SamB family protein 0.0021 0.0082 0.0226
Trypanosoma cruzi polo-like protein kinase, putative 0.0207 0.2444 1
Trypanosoma brucei glucosidase, putative 0.0041 0.0334 0.1366
Trichomonas vaginalis CAMK family protein kinase 0.0103 0.1118 0.2922
Giardia lamblia Fructose-bisphosphate aldolase 0.0314 0.3801 1
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0051 0.047 0.0411
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.0314 0.3801 1
Onchocerca volvulus 0.0106 0.1161 0.3663
Brugia malayi Tyrosyl-DNA phosphodiesterase family protein 0.0067 0.0671 0.2103
Trichomonas vaginalis phosphofructokinase, putative 0.0032 0.0219 0.0549
Echinococcus granulosus GTP binding nuclear protein Ran 0.0024 0.0121 0.006
Entamoeba histolytica tyrosyl-DNA phosphodiesterase, putative 0.0067 0.0671 0.1743
Schistosoma mansoni serine/threonine protein kinase 0.0207 0.2444 0.2397
Chlamydia trachomatis neutral amino acid transporter 0.0117 0.1296 0.3673
Trichomonas vaginalis CAMK family protein kinase 0.0103 0.1118 0.2922
Brugia malayi Glycosyl hydrolases family 31 protein 0.0183 0.214 0.6779
Echinococcus multilocularis excitatory amino acid transporter 2 0.0263 0.3152 0.3109
Plasmodium falciparum ATP-dependent 6-phosphofructokinase 0.0032 0.0219 0.9362
Entamoeba histolytica glycosyl hydrolase, family 31 protein 0.0041 0.0334 0.0853
Echinococcus granulosus excitatory amino acid transporter 2 0.0263 0.3152 0.3109
Echinococcus granulosus excitatory amino acid transporter 3 0.0263 0.3152 0.3109
Plasmodium vivax importin-beta 2, putative 0.0032 0.0229 1
Brugia malayi GTP-binding nuclear protein RAN/TC4 0.0024 0.0121 0.0352
Brugia malayi phosphofructokinase 0.0117 0.13 0.4104
Trypanosoma brucei DNA polymerase kappa, putative 0.0021 0.0082 0.0334
Mycobacterium ulcerans fructose-bisphosphate aldolase 0.0154 0.1764 1
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0051 0.047 0.0411
Brugia malayi serine/threonine-protein kinase plk-2 0.0207 0.2444 0.7746
Toxoplasma gondii GTP-binding nuclear protein ran/tc4 0.0024 0.0121 0.2186
Echinococcus multilocularis snurportin 1 0.0346 0.4205 0.4169
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0051 0.047 0.0411
Echinococcus granulosus transcription factor Dp 1 0.0039 0.0312 0.0252
Plasmodium vivax 6-phosphofructokinase, putative 0.0032 0.0219 0.9362
Echinococcus granulosus neutral amino acid transporter A 0.0263 0.3152 0.3109
Entamoeba histolytica exodeoxyribonuclease III, putative 0.0019 0.0062 0.0135
Loa Loa (eye worm) GTP-binding regulatory protein Gs alpha-S chain 0.0051 0.047 0.1097
Leishmania major apurinic/apyrimidinic endonuclease-redox protein 0.0019 0.0062 0.021
Plasmodium falciparum ATP-dependent 6-phosphofructokinase 0.0032 0.0219 0.9362
Echinococcus multilocularis neutral amino acid transporter A 0.0263 0.3152 0.3109
Giardia lamblia GTP-binding nuclear protein RAN/TC4 0.0024 0.0121 0.0159
Schistosoma mansoni sodium/dicarboxylate symporter-related 0.0117 0.1296 0.1242
Leishmania major DNA polymerase kappa, putative,DNA polymerase IV, putative 0.0021 0.0082 0.0292
Trichomonas vaginalis CAMK family protein kinase 0.0207 0.2444 0.642
Plasmodium vivax GTP-binding nuclear protein RAN/TC4, putative 0.0024 0.0121 0.3543
Trichomonas vaginalis alpha-glucosidase, putative 0.0041 0.0334 0.0853
Trypanosoma cruzi apurinic/apyrimidinic endonuclease, putative 0.0019 0.0062 0.021
Treponema pallidum glutamate transporter 0.0117 0.1296 0.3301
Toxoplasma gondii glycosyl hydrolase, family 31 protein 0.0041 0.0334 1
Loa Loa (eye worm) GTP-binding nuclear protein RAN/TC4 0.0024 0.0121 0.0264
Echinococcus granulosus neutral alpha glucosidase AB 0.0041 0.0334 0.0274
Trichomonas vaginalis phosphofructokinase, putative 0.0032 0.0219 0.0549
Onchocerca volvulus 0.006 0.0575 0.1798
Echinococcus granulosus tyrosyl DNA phosphodiesterase 1 0.0067 0.0671 0.0613
Loa Loa (eye worm) MH2 domain-containing protein 0.0139 0.158 0.3742
Brugia malayi MH2 domain containing protein 0.0139 0.158 0.4996
Echinococcus granulosus snurportin 1 0.0346 0.4205 0.4169
Trichomonas vaginalis ran, putative 0.0024 0.0121 0.0292
Echinococcus multilocularis GTP binding nuclear protein Ran 0.0024 0.0121 0.006
Trypanosoma cruzi hypothetical protein, conserved 0.0041 0.0334 0.1328
Trypanosoma brucei DNA polymerase IV, putative 0.0021 0.0082 0.0334
Loa Loa (eye worm) tyrosyl-DNA phosphodiesterase 0.0067 0.0671 0.1575
Loa Loa (eye worm) 6-phosphofructokinase 0.0117 0.13 0.3074
Echinococcus multilocularis dna polymerase eta 0.0021 0.0082 0.002
Entamoeba histolytica fructose-1,6-bisphosphate aldolase, putative 0.0314 0.3801 1
Treponema pallidum diphosphate--fructose-6-phosphate 1-phosphotransferase 0.0032 0.0219 0.0421
Loa Loa (eye worm) 6-phosphofructokinase 0.0117 0.13 0.3074
Leishmania major GTP-binding protein, putative 0.0024 0.0121 0.0454
Trypanosoma brucei DNA polymerase kappa, putative 0.0021 0.0082 0.0334
Trypanosoma brucei unspecified product 0.0021 0.0082 0.0334
Treponema pallidum fructose-bisphosphate aldolase 0.0314 0.3801 1
Echinococcus multilocularis Excitatory amino acid transporter 0.0263 0.3152 0.3109
Echinococcus multilocularis neutral amino acid transporter A 0.0263 0.3152 0.3109
Entamoeba histolytica glycosyl hydrolase, family 31 protein 0.0041 0.0334 0.0853
Trypanosoma brucei DNA polymerase eta, putative 0.0021 0.0082 0.0334
Echinococcus multilocularis serine:threonine protein kinase PLK1 0.0207 0.2444 0.2397
Echinococcus multilocularis dna polymerase kappa 0.0021 0.0082 0.002
Loa Loa (eye worm) ImpB/MucB/SamB family protein 0.0021 0.0082 0.017
Loa Loa (eye worm) hypothetical protein 0.0021 0.0082 0.017
Trypanosoma cruzi DNA polymerase kappa, putative 0.0021 0.0082 0.0292
Echinococcus multilocularis microtubule associated protein 2 0.0804 1 1
Chlamydia trachomatis glutamate symporter 0.0263 0.3152 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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