Detailed information for compound 605100

Basic information

Technical information
  • TDR Targets ID: 605100
  • Name: N-(4-Butylphenyl)acetamide
  • MW: 191.269 | Formula: C12H17NO
  • H donors: 1 H acceptors: 1 LogP: 2.98 Rotable bonds: 5
    Rule of 5 violations (Lipinski): 1
  • SMILES: CCCCc1ccc(cc1)NC(=O)C
  • InChi: 1S/C12H17NO/c1-3-4-5-11-6-8-12(9-7-11)13-10(2)14/h6-9H,3-5H2,1-2H3,(H,13,14)
  • InChiKey: GDQKURDANTWHBA-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

  • N-(4-butylphenyl)ethanamide
  • 3663-20-5
  • Acetamide, N-(4-butylphenyl)-
  • MixCom1_000090
  • Maybridge1_000046
  • ST5412130
  • ZINC02565055

Targets

Known targets for this compound

No curated genes were found associated with this compound

Predicted pathogen targets for this compound

By orthology
No druggable targets predicted by orthology data
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
Trichomonas vaginalis PIKK family atypical protein kinase 0.0189 0.0139 0.3533
Schistosoma mansoni smad1 5 8 and 0.006 0.0026 0.0025
Trypanosoma brucei phosphatidylinositol 3-kinase tor, putative 0.0089 0.0052 0.1957
Schistosoma mansoni beta-mannosidase 0.0054 0.0021 0.002
Loa Loa (eye worm) hypothetical protein 0.0095 0.0057 0.0766
Loa Loa (eye worm) cytoplasmic intermediate filament protein 0.0106 0.0066 0.089
Plasmodium vivax thioredoxin reductase, putative 0.0081 0.0045 1
Loa Loa (eye worm) phosphatidylinositol 3 0.0063 0.0029 0.0386
Brugia malayi Glycosyl hydrolases family 2, sugar binding domain containing protein 0.0059 0.0025 0.0329
Entamoeba histolytica hypothetical protein 0.0037 0.0005 0.0076
Schistosoma mansoni ataxia telangiectasia mutated (atm) 0.0036 0.0004 0.0004
Trichomonas vaginalis chromobox protein, putative 0.0042 0.001 0.0146
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0047 0.0014 0.0014
Trichomonas vaginalis PIKK family atypical protein kinase 0.014 0.0097 0.2416
Brugia malayi Pre-SET motif family protein 0.0059 0.0025 0.0331
Trichomonas vaginalis PIKK family atypical protein kinase 0.0189 0.0139 0.3533
Trichomonas vaginalis conserved hypothetical protein 0.0039 0.0007 0.0078
Trichomonas vaginalis PIKK family atypical protein kinase 0.015 0.0105 0.2641
Brugia malayi MH1 domain containing protein 0.0033 0.0002 0.0022
Mycobacterium leprae DIHYDROLIPOAMIDE DEHYDROGENASE LPD (LIPOAMIDE REDUCTASE (NADH)) (LIPOYL DEHYDROGENASE) (DIHYDROLIPOYL DEHYDROGENASE) (DIAPHORASE 0.0207 0.0155 1
Plasmodium vivax SET domain protein, putative 0.0059 0.0025 0.309
Loa Loa (eye worm) hypothetical protein 0.0039 0.0007 0.01
Trichomonas vaginalis PIKK family atypical protein kinase 0.0102 0.0063 0.1525
Trichomonas vaginalis PIKK family atypical protein kinase 0.0113 0.0072 0.1779
Echinococcus multilocularis serine:threonine protein kinase SMG1 0.0036 0.0004 0.0004
Trichomonas vaginalis PIKK family atypical protein kinase 0.0102 0.0063 0.1528
Echinococcus granulosus lamin 0.0198 0.0147 0.0147
Echinococcus multilocularis histone lysine methyltransferase setb histone lysine methyltransferase eggless 0.0059 0.0025 0.0025
Entamoeba histolytica hypothetical protein 0.0037 0.0005 0.0076
Trichomonas vaginalis Clan CA, family C19, ubiquitin hydrolase-like cysteine peptidase 0.0048 0.0015 0.0283
Echinococcus granulosus chromobox protein 1 0.007 0.0034 0.0034
Mycobacterium tuberculosis Dihydrolipoamide dehydrogenase LpdC (lipoamide reductase (NADH)) (lipoyl dehydrogenase) (dihydrolipoyl dehydrogenase) (diaphoras 0.0207 0.0155 1
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0064 0.0029 0.1039
Loa Loa (eye worm) glycosyl hydrolase family 2 0.0059 0.0025 0.0335
Schistosoma mansoni transcription factor LCR-F1 0.0037 0.0005 0.0005
Schistosoma mansoni tar DNA-binding protein 0.0269 0.021 0.021
Trichomonas vaginalis PIKK family atypical protein kinase 0.0063 0.0029 0.0637
Trichomonas vaginalis PIKK family atypical protein kinase 0.0063 0.0029 0.0637
Leishmania major isocitrate dehydrogenase [NADP], mitochondrial precursor, putative 0.0049 0.0016 0.0042
Trypanosoma brucei isocitrate dehydrogenase [NADP], mitochondrial precursor, putative 0.0049 0.0016 0.0489
Schistosoma mansoni hypothetical protein 0.0067 0.0032 0.0032
Loa Loa (eye worm) isocitrate dehydrogenase 0.0049 0.0016 0.0218
Loa Loa (eye worm) hypothetical protein 0.0031 0 0.0006
Schistosoma mansoni smad1 5 8 and 0.006 0.0026 0.0025
Onchocerca volvulus 0.0198 0.0147 0.3809
Trypanosoma cruzi major cysteine proteinase, putative 0.005 0.0017 0.0538
Schistosoma mansoni cellular tumor antigen P53 0.0152 0.0106 0.0106
Toxoplasma gondii non-specific serine/threonine protein kinase 0.004 0.0008 0.039
Mycobacterium tuberculosis NADPH-dependent mycothiol reductase Mtr 0.0081 0.0045 0.2058
Trichomonas vaginalis PIKK family atypical protein kinase 0.014 0.0097 0.2416
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0059 0.0025 0.0025
Echinococcus granulosus lysine specific demethylase 5A 0.0036 0.0005 0.0004
Trypanosoma brucei phosphatidylinositol 3-kinase, putative 0.0063 0.0029 0.1008
Brugia malayi RNA recognition motif domain containing protein 0.0269 0.021 0.2818
Trypanosoma cruzi Phosphatidylinositol 3-kinase tor1 0.0189 0.0139 0.5591
Echinococcus granulosus chromobox protein 1 0.007 0.0034 0.0034
Trypanosoma cruzi DNA polymerase beta thumb, putative 0.0044 0.0011 0.0285
Loa Loa (eye worm) beta-glucuronidase 0.0054 0.0021 0.0281
Trichomonas vaginalis PIKK family atypical protein kinase 0.014 0.0097 0.2416
Loa Loa (eye worm) hypothetical protein 0.0194 0.0144 0.1932
Mycobacterium ulcerans glutaminase 0.0275 0.0215 1
Loa Loa (eye worm) hypothetical protein 0.0067 0.0032 0.0433
Trichomonas vaginalis Clan CA, family C19, ubiquitin hydrolase-like cysteine peptidase 0.0048 0.0015 0.0283
Trypanosoma brucei ubiquitin carboxyl-terminal hydrolase, putative 0.0048 0.0015 0.0449
Schistosoma mansoni lamin 0.0198 0.0147 0.0147
Loa Loa (eye worm) pigment dispersing factor receptor c 0.0098 0.006 0.0801
Brugia malayi glutathione reductase 0.0081 0.0045 0.0596
Schistosoma mansoni NADP-specific isocitrate dehydrogenase 0.0049 0.0016 0.0016
Echinococcus multilocularis FKBP12 rapamycin complex associated protein 0.0189 0.0139 0.0139
Echinococcus granulosus smad 0.006 0.0026 0.0025
Echinococcus multilocularis jumonji domain containing protein 0.0042 0.001 0.0009
Brugia malayi MH1 domain containing protein 0.006 0.0026 0.0338
Trichomonas vaginalis glutaminase, putative 0.0275 0.0215 0.5521
Loa Loa (eye worm) transcription factor SMAD2 0.0876 0.0744 1
Trypanosoma brucei mitochondrial DNA polymerase beta 0.0309 0.0245 1
Trypanosoma cruzi phosphatidylinositol 3-related kinase, putative 0.0063 0.0029 0.1008
Echinococcus granulosus intermediate filament protein 0.0198 0.0147 0.0147
Trichomonas vaginalis chromobox protein, putative 0.007 0.0034 0.0785
Leishmania major trypanothione reductase 0.0081 0.0045 0.1282
Echinococcus multilocularis Peptidase C19, ubiquitin carboxyl terminal hydrolase 2 0.0048 0.0015 0.0015
Trichomonas vaginalis PIKK family atypical protein kinase 0.0063 0.0029 0.0637
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0047 0.0014 0.0014
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0064 0.0029 0.1039
Onchocerca volvulus Heterochromatin protein 1 homolog 0.0039 0.0007 0.0193
Schistosoma mansoni hypothetical protein 0.0037 0.0005 0.0005
Echinococcus multilocularis phosphatidylinositol 3 and 4 kinase 0.0063 0.0029 0.0028
Echinococcus multilocularis chromobox protein 1 0.007 0.0034 0.0034
Trypanosoma brucei FAT domain/Rapamycin binding domain/Phosphatidylinositol 3- and 4-kinase, putative 0.0078 0.0042 0.156
Schistosoma mansoni jumonji/arid domain-containing protein 0.0036 0.0005 0.0004
Trichomonas vaginalis PIKK family atypical protein kinase 0.015 0.0105 0.2641
Onchocerca volvulus 0.0469 0.0386 1
Brugia malayi Pre-SET motif family protein 0.0412 0.0336 0.4509
Brugia malayi Intermediate filament tail domain containing protein 0.0198 0.0147 0.1971
Echinococcus multilocularis ubiquitin carboxyl terminal hydrolase 8 0.0048 0.0015 0.0015
Trypanosoma brucei isocitrate dehydrogenase, putative 0.0049 0.0016 0.0489
Loa Loa (eye worm) hypothetical protein 0.0059 0.0025 0.0337
Trichomonas vaginalis beta-mannosidase, putative 0.0054 0.0021 0.0431
Loa Loa (eye worm) phosphatidylinositol 3 0.0189 0.0139 0.1871
Schistosoma mansoni intermediate filament proteins 0.0198 0.0147 0.0147
Loa Loa (eye worm) MH1 domain-containing protein 0.006 0.0026 0.0344
Leishmania major mitochondrial DNA polymerase beta-PAK, putative 0.0146 0.0102 0.3766
Mycobacterium tuberculosis Probable reductase 0.0186 0.0137 0.8684
Entamoeba histolytica phosphatidylinositol3-kinaseTor2, putative 0.0189 0.0139 1
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0064 0.0029 0.1039
Echinococcus multilocularis musashi 0.0198 0.0147 0.0147
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0047 0.0014 0.0014
Mycobacterium tuberculosis Probable NADH dehydrogenase Ndh 0.0186 0.0137 0.8684
Brugia malayi Calcitonin receptor-like protein seb-1 0.0098 0.006 0.0796
Loa Loa (eye worm) hypothetical protein 0.0152 0.0106 0.143
Trypanosoma cruzi ubiquitin carboxyl-terminal hydrolase, putative 0.0048 0.0015 0.0449
Toxoplasma gondii hypothetical protein 0.005 0.0017 0.1357
Trichomonas vaginalis PIKK family atypical protein kinase 0.0112 0.0071 0.1753
Schistosoma mansoni jumonji/arid domain-containing protein 0.0036 0.0005 0.0004
Echinococcus granulosus Smad4 0.006 0.0026 0.0025
Trichomonas vaginalis PIKK family atypical protein kinase 0.014 0.0097 0.2416
Echinococcus granulosus thioredoxin glutathione reductase 0.0083 0.0046 0.0045
Schistosoma mansoni smad1 5 8 and 0.006 0.0026 0.0025
Trichomonas vaginalis PIKK family atypical protein kinase 0.014 0.0097 0.2416
Trichomonas vaginalis PIKK family atypical protein kinase 0.0102 0.0063 0.1528
Mycobacterium tuberculosis Probable nitrite reductase [NAD(P)H] large subunit [FAD flavoprotein] NirB 0.0186 0.0137 0.8684
Trichomonas vaginalis conserved hypothetical protein 0.004 0.0008 0.0094
Loa Loa (eye worm) glutaminase 2 0.0275 0.0215 0.289
Toxoplasma gondii histone lysine methyltransferase SET/SUV39 0.0059 0.0025 0.2235
Leishmania major cathepsin L-like protease 0.0064 0.0029 0.0618
Loa Loa (eye worm) jmjC domain-containing protein 0.0062 0.0027 0.0367
Brugia malayi Thioredoxin reductase 0.0081 0.0045 0.0596
Loa Loa (eye worm) intermediate filament tail domain-containing protein 0.0198 0.0147 0.1975
Trypanosoma brucei Phosphatidylinositol 3-kinase tor1 0.0189 0.0139 0.5591
Echinococcus multilocularis smad 0.006 0.0026 0.0025
Trichomonas vaginalis PIKK family atypical protein kinase 0.015 0.0105 0.2641
Brugia malayi MH1 domain containing protein 0.006 0.0026 0.0338
Trypanosoma cruzi Phosphatidylinositol 3-kinase tor2 0.0189 0.0139 0.5591
Echinococcus multilocularis microtubule associated protein 2 1.139 1 1
Onchocerca volvulus Heterochromatin protein 1 homolog 0.0042 0.001 0.026
Trypanosoma cruzi mitochondrial DNA polymerase beta-PAK, putative 0.0044 0.0011 0.0285
Giardia lamblia GTOR 0.0189 0.0139 1
Echinococcus granulosus serine:threonine protein kinase SMG1 0.0036 0.0004 0.0004
Mycobacterium tuberculosis Probable oxidoreductase 0.0207 0.0155 1
Leishmania major mitochondrial DNA polymerase beta 0.0309 0.0245 1
Brugia malayi Phosphatidylinositol 3- and 4-kinase family protein 0.0063 0.0029 0.0381
Loa Loa (eye worm) hypothetical protein 0.0092 0.0054 0.0723
Trichomonas vaginalis PIKK family atypical protein kinase 0.014 0.0097 0.2416
Schistosoma mansoni tar DNA-binding protein 0.0269 0.021 0.021
Trichomonas vaginalis PIKK family atypical protein kinase 0.0102 0.0063 0.1525
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0047 0.0014 0.0014
Loa Loa (eye worm) hypothetical protein 0.004 0.0008 0.0108
Loa Loa (eye worm) MH2 domain-containing protein 0.006 0.0026 0.0344
Toxoplasma gondii isocitrate dehydrogenase 0.0049 0.0016 0.1278
Schistosoma mansoni jumonji domain containing protein 0.0078 0.0041 0.0041
Echinococcus granulosus Peptidase C19 ubiquitin carboxyl terminal hydrolase 2 0.0048 0.0015 0.0015
Echinococcus multilocularis histone lysine N methyltransferase SETMAR 0.0059 0.0025 0.0025
Echinococcus multilocularis lysine specific demethylase 5A 0.0036 0.0005 0.0004
Echinococcus multilocularis tar DNA binding protein 0.0269 0.021 0.021
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0059 0.0025 0.0025
Loa Loa (eye worm) hypothetical protein 0.0033 0.0002 0.0028
Trypanosoma brucei phosphatidylinositol 4-kinase, putative 0.0189 0.0139 0.5591
Loa Loa (eye worm) GTP-binding regulatory protein Gs alpha-S chain 0.0047 0.0014 0.0192
Leishmania major target of rapamycin (TOR) kinase 2, putative 0.0189 0.0139 0.5384
Loa Loa (eye worm) hypothetical protein 0.0092 0.0054 0.0723
Trypanosoma cruzi cysteine peptidase, putative 0.0064 0.0029 0.1039
Trichomonas vaginalis chromobox protein, putative 0.0042 0.001 0.0146
Brugia malayi isocitrate dehydrogenase 0.0049 0.0016 0.0213
Trichomonas vaginalis PIKK family atypical protein kinase 0.0113 0.0072 0.1779
Brugia malayi RNA binding protein 0.0269 0.021 0.2818
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0064 0.0029 0.1039
Trichomonas vaginalis PIKK family atypical protein kinase 0.0112 0.0071 0.1753
Echinococcus multilocularis NADP dependent isocitrate dehydrogenase 0.0049 0.0016 0.0016
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0064 0.0029 0.1039
Loa Loa (eye worm) RNA binding protein 0.0269 0.021 0.2822
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0064 0.0029 0.1039
Echinococcus multilocularis TGF beta signal transducer SmadC 0.006 0.0026 0.0025
Echinococcus multilocularis isocitrate dehydrogenase 2 (NADP+) 0.0049 0.0016 0.0016
Trichomonas vaginalis conserved hypothetical protein 0.0039 0.0007 0.0078
Brugia malayi Beta-glucuronidase precursor 0.0054 0.0021 0.0275
Entamoeba histolytica hypothetical protein 0.0037 0.0005 0.0076
Brugia malayi glutaminase DH11.1 0.0275 0.0215 0.2886
Echinococcus multilocularis serine protein kinase ATM 0.0036 0.0004 0.0004
Brugia malayi manba-prov protein 0.0054 0.0021 0.0275
Schistosoma mansoni microtubule-associated protein tau 1.139 1 1
Brugia malayi cytoplasmic intermediate filament protein 0.0106 0.0066 0.0885
Brugia malayi Isocitrate dehydrogenase 0.0049 0.0016 0.0213
Trypanosoma brucei phosphatidylinositol 3-related kinase, putative 0.0063 0.0029 0.1008
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0047 0.0014 0.0014
Trypanosoma cruzi mitochondrial DNA polymerase beta-PAK, putative 0.0053 0.002 0.0633
Loa Loa (eye worm) glutathione reductase 0.0081 0.0045 0.0602
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0047 0.0014 0.0014
Echinococcus multilocularis cytoplasmic intermediate filament protein 0.0095 0.0057 0.0057
Trichomonas vaginalis PIKK family atypical protein kinase 0.0127 0.0084 0.2098
Loa Loa (eye worm) hypothetical protein 0.0038 0.0007 0.0093
Leishmania major cathepsin L-like protease 0.0064 0.0029 0.0618
Trypanosoma cruzi ubiquitin carboxyl-terminal hydrolase, putative 0.0048 0.0015 0.0449
Brugia malayi MH1 domain containing protein 0.0033 0.0002 0.0022
Echinococcus granulosus histone lysine methyltransferase setb 0.0059 0.0025 0.0025
Schistosoma mansoni smad 0.006 0.0026 0.0025
Loa Loa (eye worm) glutaminase 0.0275 0.0215 0.289
Schistosoma mansoni phosphatidylinositol 3-and 4-kinase 0.0063 0.0029 0.0028
Trypanosoma brucei DNA polymerase beta thumb, putative 0.0044 0.0011 0.0285
Schistosoma mansoni tar DNA-binding protein 0.0269 0.021 0.021
Echinococcus granulosus cytoplasmic intermediate filament protein 0.0095 0.0057 0.0057
Trichomonas vaginalis PIKK family atypical protein kinase 0.0102 0.0063 0.1528
Trichomonas vaginalis PIKK family atypical protein kinase 0.0123 0.0081 0.2004
Trypanosoma brucei trypanothione reductase 0.0081 0.0045 0.1673
Echinococcus multilocularis chromobox protein 1 0.007 0.0034 0.0034
Trypanosoma cruzi isocitrate dehydrogenase, putative 0.0049 0.0016 0.0489
Entamoeba histolytica ubiquitin carboxyl-terminal hydrolase domain containing protein 0.0048 0.0015 0.0802
Echinococcus granulosus Basic leucine zipper bZIP transcription 0.0037 0.0005 0.0005
Trypanosoma brucei mitochondrial DNA polymerase beta-PAK 0.0146 0.0102 0.4046
Leishmania major target of rapamycin kinase (TOR) kinase 3 0.015 0.0105 0.3913
Entamoeba histolytica beta-galactosidase, putative 0.0113 0.0073 0.5071
Schistosoma mansoni lamin 0.0198 0.0147 0.0147
Trypanosoma cruzi phosphatidylinositol 3-related kinase, putative 0.0063 0.0029 0.1008
Brugia malayi MH2 domain containing protein 0.0876 0.0744 1
Entamoeba histolytica FKBP-rapamycin associated protein (FRAP), putative 0.0189 0.0139 1
Echinococcus granulosus mothers against decapentaplegic 5 0.006 0.0026 0.0025
Trichomonas vaginalis PIKK family atypical protein kinase 0.0063 0.0029 0.0637
Loa Loa (eye worm) thioredoxin reductase 0.0081 0.0045 0.0602
Leishmania major phosphatidylinositol 3-kinase, putative 0.0063 0.0029 0.0586
Entamoeba histolytica hypothetical protein 0.0037 0.0005 0.0076
Echinococcus multilocularis Basic leucine zipper (bZIP) transcription 0.0037 0.0005 0.0005
Trypanosoma cruzi mitochondrial DNA polymerase beta, putative 0.0309 0.0245 1
Schistosoma mansoni tar DNA-binding protein 0.0269 0.021 0.021
Loa Loa (eye worm) pre-SET domain-containing protein family protein 0.0412 0.0336 0.4512
Schistosoma mansoni chromobox protein 0.007 0.0034 0.0034
Echinococcus granulosus phosphatidylinositol 3 and 4 kinase 0.0063 0.0029 0.0028
Mycobacterium tuberculosis Putative ferredoxin reductase 0.0186 0.0137 0.8684
Schistosoma mansoni tar DNA-binding protein 0.0269 0.021 0.021
Brugia malayi Heterochromatin protein 1 0.007 0.0034 0.0457
Brugia malayi MH2 domain containing protein 0.006 0.0026 0.0338
Brugia malayi Phosphatidylinositol 3- and 4-kinase family protein 0.0036 0.0004 0.0054
Echinococcus multilocularis tumor protein p63 0.1035 0.0884 0.0884
Loa Loa (eye worm) hypothetical protein 0.0098 0.006 0.0801
Trypanosoma cruzi cysteine peptidase, putative 0.0064 0.0029 0.1039
Brugia malayi Phosphatidylinositol 3- and 4-kinase family protein 0.0189 0.0139 0.1866
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0064 0.0029 0.1039
Trypanosoma cruzi cruzipain precursor, putative 0.0064 0.0029 0.1039
Trichomonas vaginalis PIKK family atypical protein kinase 0.015 0.0105 0.2641
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0064 0.0029 0.1039
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0047 0.0014 0.0014
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0064 0.0029 0.1039
Schistosoma mansoni chromobox protein 0.007 0.0034 0.0034
Leishmania major phosphatidylinositol 3-related kinase, putative 0.0063 0.0029 0.0586
Echinococcus multilocularis Transcription factor, JmjC domain containing protein 0.0098 0.0059 0.0059
Trichomonas vaginalis PIKK family atypical protein kinase 0.0102 0.0063 0.1528
Loa Loa (eye worm) latrophilin receptor protein 2 0.0031 0 0.0006
Echinococcus granulosus jumonji domain containing protein 0.0042 0.001 0.0009
Echinococcus granulosus tar DNA binding protein 0.0269 0.021 0.021
Trichomonas vaginalis conserved hypothetical protein 0.0048 0.0015 0.0283
Schistosoma mansoni ataxia telangiectasia mutated (atm)-related 0.0189 0.0139 0.0139
Trichomonas vaginalis beta-galactosidase, putative 0.0168 0.0121 0.3047
Mycobacterium tuberculosis Conserved hypothetical protein 0.0163 0.0117 0.7229
Echinococcus granulosus ubiquitin specific protease 41 0.0048 0.0015 0.0015
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.0098 0.006 0.0796
Loa Loa (eye worm) hypothetical protein 0.0048 0.0015 0.0205
Brugia malayi Phosphatidylinositol 3- and 4-kinase family protein 0.0036 0.0004 0.0054
Trichomonas vaginalis conserved hypothetical protein 0.0168 0.0121 0.3047
Trichomonas vaginalis PIKK family atypical protein kinase 0.0113 0.0072 0.1779
Echinococcus granulosus TGF beta signal transducer SmadC 0.006 0.0026 0.0025
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0059 0.0025 0.0025
Mycobacterium tuberculosis NAD(P)H quinone reductase LpdA 0.0207 0.0155 1
Loa Loa (eye worm) TAR-binding protein 0.0269 0.021 0.2822
Brugia malayi jmjC domain containing protein 0.0098 0.0059 0.079
Trypanosoma cruzi isocitrate dehydrogenase [NADP], mitochondrial precursor, putative 0.0049 0.0016 0.0489
Brugia malayi intermediate filament protein 0.0198 0.0147 0.1971
Brugia malayi hypothetical protein 0.0037 0.0005 0.0068
Brugia malayi Ubiquitin carboxyl-terminal hydrolase family protein 0.0048 0.0015 0.02
Echinococcus granulosus Transcription factor JmjC domain containing protein 0.0098 0.0059 0.0059
Brugia malayi TAR-binding protein 0.0269 0.021 0.2818
Loa Loa (eye worm) jmjC domain-containing protein 0.0036 0.0005 0.0065
Trypanosoma cruzi cysteine peptidase, clan CA, family C1, cathepsin L-like, putative 0.0059 0.0025 0.0836
Trichomonas vaginalis PIKK family atypical protein kinase 0.015 0.0105 0.2641
Brugia malayi chromobox protein homolog 3 0.0039 0.0007 0.0094
Loa Loa (eye worm) Smad1 0.006 0.0026 0.0344
Echinococcus granulosus tumor protein p63 0.1035 0.0884 0.0884
Echinococcus granulosus lamin dm0 0.0198 0.0147 0.0147
Leishmania major target of rapamycin (TOR) kinase 1, putative 0.0189 0.0139 0.5384
Trypanosoma cruzi mitochondrial DNA polymerase beta-PAK, putative 0.0146 0.0102 0.4046
Echinococcus multilocularis NADP dependent isocitrate dehydrogenase 0.0049 0.0016 0.0016
Echinococcus multilocularis isocitrate dehydrogenase 0.0049 0.0016 0.0016
Schistosoma mansoni hypothetical protein 0.0159 0.0113 0.0113
Trichomonas vaginalis PIKK family atypical protein kinase 0.0063 0.0029 0.0637
Echinococcus multilocularis NADP dependent isocitrate dehydrogenase 0.0049 0.0016 0.0016
Schistosoma mansoni fkbp-rapamycin associated protein 0.0036 0.0004 0.0004
Onchocerca volvulus 0.0152 0.0106 0.2758
Toxoplasma gondii target of rapamycin (TOR), putative 0.014 0.0097 1
Plasmodium falciparum thioredoxin reductase 0.0081 0.0045 1
Trichomonas vaginalis glycoside hydrolase, putative 0.0268 0.0209 0.5359
Brugia malayi MH2 domain containing protein 0.006 0.0026 0.0338
Trypanosoma cruzi DNA polymerase beta thumb, putative 0.0044 0.0011 0.0285
Trypanosoma brucei target of rapamycin kinase 3, putative 0.015 0.0105 0.4186
Toxoplasma gondii thioredoxin reductase 0.0081 0.0045 0.4376
Echinococcus multilocularis lamin 0.0198 0.0147 0.0147
Trichomonas vaginalis PIKK family atypical protein kinase 0.0051 0.0018 0.0345
Trypanosoma cruzi cysteine peptidase, putative 0.0064 0.0029 0.1039
Brugia malayi jmjC domain containing protein 0.0036 0.0005 0.006
Echinococcus granulosus FKBP12 rapamycin complex associated protein 0.0189 0.0139 0.0139
Toxoplasma gondii isocitrate dehydrogenase 0.0049 0.0016 0.1278
Schistosoma mansoni ubiquitin-specific peptidase 2 (C19 family) 0.0048 0.0015 0.0015
Trichomonas vaginalis chromobox protein, putative 0.007 0.0034 0.0785
Mycobacterium tuberculosis Probable dehydrogenase 0.0186 0.0137 0.8684
Plasmodium vivax glutathione reductase, putative 0.0081 0.0045 1
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0064 0.0029 0.1039
Trypanosoma cruzi target of rapamycin kinase 3 0.015 0.0105 0.4186
Echinococcus granulosus ubiquitin carboxyl terminal hydrolase 8 0.0048 0.0015 0.0015
Echinococcus multilocularis mothers against decapentaplegic 5 0.006 0.0026 0.0025
Brugia malayi latrophilin 2 splice variant baaae 0.0067 0.0032 0.0427
Echinococcus multilocularis thioredoxin glutathione reductase 0.0083 0.0046 0.0045
Trypanosoma cruzi mitochondrial DNA polymerase beta, putative 0.0309 0.0245 1
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0064 0.0029 0.1039
Trichomonas vaginalis PIKK family atypical protein kinase 0.014 0.0097 0.2416
Echinococcus granulosus 5'partial|histone lysine N methyltransferase SETDB2 0.0057 0.0023 0.0023
Trypanosoma cruzi trypanothione reductase, putative 0.0081 0.0045 0.1673
Loa Loa (eye worm) heterochromatin protein 1 0.007 0.0034 0.0462
Brugia malayi GTP-binding regulatory protein Gs alpha-S chain, putative 0.0047 0.0014 0.0186
Echinococcus multilocularis lamin dm0 0.0198 0.0147 0.0147
Plasmodium falciparum glutathione reductase 0.0081 0.0045 1
Schistosoma mansoni TGF-beta signal transducer Smad2 0.006 0.0026 0.0025
Echinococcus granulosus serine protein kinase ATM 0.0036 0.0004 0.0004
Schistosoma mansoni glutaminase 0.0275 0.0215 0.0215
Loa Loa (eye worm) MH2 domain-containing protein 0.0876 0.0744 1
Onchocerca volvulus 0.0198 0.0147 0.3809
Schistosoma mansoni ubiquitin-specific peptidase 8 (C19 family) 0.0048 0.0015 0.0015
Mycobacterium tuberculosis Probable membrane NADH dehydrogenase NdhA 0.0186 0.0137 0.8684
Trichomonas vaginalis set domain proteins, putative 0.0469 0.0386 1
Leishmania major cathepsin L-like protease 0.0064 0.0029 0.0618
Schistosoma mansoni Smad4 0.006 0.0026 0.0025
Trichomonas vaginalis PIKK family atypical protein kinase 0.0189 0.0139 0.3533
Onchocerca volvulus 0.007 0.0035 0.091
Loa Loa (eye worm) hypothetical protein 0.0036 0.0004 0.006
Loa Loa (eye worm) hypothetical protein 0.0051 0.0018 0.0243
Trichomonas vaginalis PIKK family atypical protein kinase 0.0161 0.0115 0.2896
Brugia malayi Smad1 0.006 0.0026 0.0338
Echinococcus granulosus NADP dependent isocitrate dehydrogenase 0.0049 0.0016 0.0016
Trichomonas vaginalis PIKK family atypical protein kinase 0.0102 0.0063 0.1525
Loa Loa (eye worm) hypothetical protein 0.0198 0.0147 0.1975
Loa Loa (eye worm) intermediate filament protein 0.0198 0.0147 0.1975
Echinococcus multilocularis Smad4 0.006 0.0026 0.0025
Loa Loa (eye worm) RNA recognition domain-containing protein domain-containing protein 0.0269 0.021 0.2822
Echinococcus multilocularis ubiquitin specific protease 41 0.0048 0.0015 0.0015
Schistosoma mansoni histone-lysine n-methyltransferase suv9 0.007 0.0035 0.0035
Loa Loa (eye worm) nuclear factor I 0.0033 0.0002 0.0028

Activities

Activity type Activity value Assay description Source Reference
Activity (functional) NOVARTIS: Antimalarial liver stage activity measured as a greater than 50% reduction in Plasmodium yoelii schizont area in HepG2-A16-CD81 cells at 10uM compound concentration, determined by immuno-fluorescence. ChEMBL. 22096101
CC50 (functional) = 4.21 uM Huh7 cytotoxicity for Pf inhibitors Novartis-GNF Malaria Box. No reference
CC50 = 4.21 uM NOVARTIS: Cytotoxicity against human hepatocellular carcinoma cell line (Huh7) ChEMBL. 18579783
EC50 (functional) = 0.2138 uM PF proliferation inhibition 3D7 Novartis-GNF Malaria Box. No reference
EC50 (functional) = 0.2138 uM NOVARTIS: Inhibition of Plasmodium falciparum 3D7 (drug-susceptible) proliferation in erythrocyte-based infection assay ChEMBL. 18579783
EC50 (functional) = 0.334 uM W2 Pf proliferation inhibition Novartis-GNF Malaria Box. No reference
EC50 (functional) = 0.334 uM NOVARTIS: Inhibition of Plasmodium falciparum W2 (drug-resistant) proliferation in erythrocyte-based infection assay ChEMBL. 18579783
IFI promiscuity index = 0.02128 IFI promiscuity index Novartis-GNF Malaria Box. No reference

Phenotypes

Whole-cell/tissue/organism interactions

Species name Source Reference Is orphan
Plasmodium falciparum ChEMBL23 18579783

Many chemical entities in TDR Targets come from high-throughput screenings with whole cells or tissue samples, and not all assayed compounds have been tested against a single a single target protein, probably because they get ruled out during screening process. Even if these compounds may have not been of interest in the original screening, they may come as interesting leads for other screening assays. Furthermore, we may be able to propose drug-target associations using chemical similarities and network patterns.

Annotated phenotypes:

We have no manually annotated phenotypes for this drug. What does this mean? / Care to help?
In TDR Targets, information about phenotypes that are caused by drugs, or by genetic manipulation of cells (e.g. gene knockouts or knockdowns) is manually curated from the literature. These descriptions help to describe the potential of the target for drug development. If no information is available for this gene or if the information is incomplete, this may mean that i) the papers containing this information either appeared after the curation effort for this organism was carried out or they were inadvertently missed by curators; or that ii) the curation effort for this organism has not yet started.
 
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External resources for this compound

Bibliographic References

No literature references available for this target.

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