Detailed information for compound 1484096

Basic information

Technical information
  • TDR Targets ID: 1484096
  • Name: 6-methyl-3-[[phenylmethyl-[1-[1-(phenylmethyl )tetrazol-5-yl]propyl]amino]methyl]-1H-quinol in-2-one
  • MW: 478.588 | Formula: C29H30N6O
  • H donors: 1 H acceptors: 5 LogP: 5.56 Rotable bonds: 9
    Rule of 5 violations (Lipinski): 1
  • SMILES: CCC(c1nnnn1Cc1ccccc1)N(Cc1cc2cc(C)ccc2nc1O)Cc1ccccc1
  • InChi: 1S/C29H30N6O/c1-3-27(28-31-32-33-35(28)19-23-12-8-5-9-13-23)34(18-22-10-6-4-7-11-22)20-25-17-24-16-21(2)14-15-26(24)30-29(25)36/h4-17,27H,3,18-20H2,1-2H3,(H,30,36)
  • InChiKey: JORKNXLKZARUNW-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

  • 6-methyl-3-[[phenylmethyl-[1-[1-(phenylmethyl)-5-tetrazolyl]propyl]amino]methyl]-1H-quinolin-2-one
  • 3-[[benzyl-[1-[1-(benzyl)tetrazol-5-yl]propyl]amino]methyl]-6-methyl-carbostyril
  • 6-methyl-3-[[phenylmethyl-[1-[1-(phenylmethyl)-1,2,3,4-tetrazol-5-yl]propyl]amino]methyl]-1H-quinolin-2-one
  • Oprea1_189954
  • ASN 05304724

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Homo sapiens nuclear factor, erythroid 2-like 2 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
No druggable targets predicted by sequence similarity
Obtained from network model

Ranking Plot

Putative Targets List

Species Potential target Raw Global Species
Loa Loa (eye worm) hypothetical protein 0.0032 0.005 0.008
Trypanosoma cruzi protein farnesyltransferase alpha subunit, putative 0.004 0.0081 0.1612
Loa Loa (eye worm) hexokinase type II 0.0052 0.0126 0.0202
Giardia lamblia Rab geranylgeranyltransferase 0.0059 0.0153 0.1609
Loa Loa (eye worm) helicase 0.0034 0.0057 0.0091
Mycobacterium ulcerans N-acetyl-1-D-myo-inosityl-2-amino-2-deoxy-alpha-D-glucopyranoside deacetylase MshB 0.0085 0.0256 0.0244
Echinococcus granulosus Basic leucine zipper bZIP transcription 0.0043 0.0093 0.0738
Echinococcus granulosus CD36 class B scavenger receptor 0.0073 0.0208 0.1646
Schistosoma mansoni nuclear hormone receptor nor-1/nor-2 0.002 0 0.0001
Brugia malayi Thiamine pyrophosphate enzyme, central domain containing protein 0.0107 0.034 0.0545
Schistosoma mansoni retinoic acid receptor RXR 0.002 0 0.0001
Entamoeba histolytica hypothetical protein 0.0034 0.0057 0.0571
Trypanosoma cruzi Protein prenyltransferase alpha subunit repeat, putative 0.004 0.0081 0.1612
Brugia malayi PAS domain containing protein 0.0022 0.001 0.0016
Brugia malayi Protein prenyltransferase alpha subunit repeat containing protein 0.0155 0.0528 0.0846
Trypanosoma brucei hexokinase 0.0052 0.0126 0.2618
Schistosoma mansoni hexokinase 0.0052 0.0126 0.0446
Schistosoma mansoni hypothetical protein 0.011 0.0354 0.1252
Echinococcus multilocularis FTZ F1 alpha 0.002 0 0.0003
Schistosoma mansoni tar DNA-binding protein 0.0041 0.0085 0.0299
Loa Loa (eye worm) hypothetical protein 0.0059 0.0153 0.0244
Trichomonas vaginalis chromobox protein, putative 0.0054 0.0135 0.0104
Echinococcus multilocularis geranylgeranyl transferase type I beta subunit 0.0222 0.0791 0.6262
Echinococcus granulosus 5'partial|histone lysine N methyltransferase SETDB2 0.033 0.1211 0.9589
Trypanosoma cruzi hexokinase, putative 0.0052 0.0126 0.2618
Loa Loa (eye worm) hypothetical protein 0.0034 0.0057 0.0091
Echinococcus multilocularis chromodomain helicase DNA binding protein 4 0.0034 0.0057 0.045
Mycobacterium ulcerans acetolactate synthase large subunit IlvB 0.0061 0.0162 0.015
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0344 0.1263 0.4466
Echinococcus multilocularis thyroid hormone receptor alpha 0.002 0 0.0003
Echinococcus granulosus geminin 0.011 0.0354 0.2802
Trypanosoma cruzi hexokinase, putative 0.0052 0.0126 0.2618
Echinococcus multilocularis protein farnesyltransferase alpha subunit 0.0155 0.0528 0.4181
Echinococcus granulosus ecdysone induced protein 78C 0.002 0 0.0003
Loa Loa (eye worm) prenyltransferase alpha subunit repeat containing protein 0.004 0.0081 0.0129
Echinococcus multilocularis FTZ F1 nuclear receptor protein 0.002 0 0.0003
Trichomonas vaginalis conserved hypothetical protein 0.0052 0.0127 0.0094
Brugia malayi Protein cec-1. 0.0034 0.0057 0.0091
Wolbachia endosymbiont of Brugia malayi 4'-phosphopantetheinyl transferase 0.0023 0.0012 0.5
Entamoeba histolytica hypothetical protein 0.0034 0.0057 0.0571
Echinococcus multilocularis hexokinase type 2 0.0052 0.0126 0.0998
Trypanosoma cruzi hypothetical protein, conserved 0.004 0.0081 0.1612
Echinococcus granulosus protein prenyltransferase alpha subunit 0.004 0.0081 0.0638
Echinococcus multilocularis Nuclear hormone receptor family member nhr 41 0.002 0 0.0003
Schistosoma mansoni chromobox protein 0.0072 0.0205 0.0724
Loa Loa (eye worm) pigment dispersing factor receptor c 0.0032 0.005 0.008
Onchocerca volvulus 0.0034 0.0057 0.0075
Schistosoma mansoni chromobox protein 0.0072 0.0205 0.0724
Echinococcus granulosus chromobox protein 1 0.0072 0.0205 0.1621
Plasmodium falciparum conserved Plasmodium protein, unknown function 0.0034 0.0057 0.0945
Entamoeba histolytica hypothetical protein 0.0043 0.0093 0.1039
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.0032 0.005 0.008
Echinococcus multilocularis Basic leucine zipper (bZIP) transcription 0.0043 0.0093 0.0738
Trichomonas vaginalis set domain proteins, putative 0.195 0.7521 1
Echinococcus multilocularis Chromo domain 0.0034 0.0057 0.045
Echinococcus granulosus hexokinase 0.0052 0.0126 0.0998
Brugia malayi hypothetical protein 0.0028 0.0031 0.0049
Loa Loa (eye worm) hypoxia-induced factor 1 0.0068 0.0191 0.0305
Schistosoma mansoni thyroid hormone receptor 0.002 0 0.0001
Brugia malayi hypothetical protein 0.0197 0.0691 0.1107
Trichomonas vaginalis protein farnesyltransferase alpha subunit/RAB geranylgeranyl transferase alpha subunit, putative 0.0155 0.0528 0.0631
Loa Loa (eye worm) prenyltransferase and squalene oxidase repeat family protein 0.0137 0.046 0.0737
Schistosoma mansoni thyroid hormone receptor 0.002 0 0.0001
Plasmodium vivax hexokinase, putative 0.0052 0.0126 0.0943
Onchocerca volvulus Heterochromatin protein 1 homolog 0.0052 0.0127 0.0168
Loa Loa (eye worm) hypothetical protein 0.0052 0.0127 0.0203
Trichomonas vaginalis chromobox protein, putative 0.0072 0.0205 0.0198
Toxoplasma gondii 4'-phosphopantetheinyl transferase superfamily protein 0.0023 0.0012 0.0037
Echinococcus multilocularis Chromobox protein 3 0.0034 0.0057 0.045
Onchocerca volvulus 0.002 0.0002 0.0002
Echinococcus multilocularis nuclear receptor 2DBD gamma 0.002 0 0.0003
Trichomonas vaginalis geranylgeranyl transferase type I beta subunit, putative 0.0222 0.0791 0.0983
Loa Loa (eye worm) transcription factor SMAD2 0.0078 0.0227 0.0363
Mycobacterium ulcerans acetolactate synthase 0.0061 0.0162 0.015
Brugia malayi hypothetical protein 0.0074 0.0213 0.0341
Echinococcus multilocularis histone lysine N methyltransferase NSD3 0.0034 0.0056 0.0445
Brugia malayi hexokinase 0.0052 0.0126 0.0202
Toxoplasma gondii hexokinase 0.0052 0.0126 0.0943
Plasmodium falciparum heterochromatin protein 1 0.0034 0.0057 0.0945
Echinococcus granulosus chromodomain helicase DNA binding protein 4 0.0034 0.0057 0.045
Leishmania major putative pyruvate/indole-pyruvate carboxylase, putative 0.0061 0.0162 0.3414
Entamoeba histolytica glucosamine-6-phosphate isomerase, putative 0.0085 0.0256 0.3136
Loa Loa (eye worm) glutathione reductase 0.0021 0.0008 0.0012
Onchocerca volvulus 0.0052 0.0126 0.0167
Trichomonas vaginalis geranylgeranyl transferase type beta subunit, putative 0.0137 0.046 0.054
Brugia malayi CD36 family protein 0.0073 0.0208 0.0333
Mycobacterium ulcerans hypothetical protein 0.0107 0.034 0.0328
Loa Loa (eye worm) hypothetical protein 0.0073 0.0208 0.0333
Mycobacterium leprae N-Acetyl-1-D-myo-Inosityl-2-Amino-2-Deoxy-alpha-D-Glucopyranoside Deacetylase MshB (GlcNAc-Ins deacetylase) 0.0085 0.0256 0.0244
Brugia malayi M-phase phosphoprotein, mpp8 0.0034 0.0057 0.0091
Echinococcus granulosus Chromobox protein 3 0.0034 0.0057 0.045
Brugia malayi Uncharacterized LmbE-like protein, COG2120 containing protein 0.0085 0.0256 0.0411
Echinococcus granulosus tar DNA binding protein 0.0041 0.0085 0.067
Schistosoma mansoni protein farnesyltransferase alpha subunit 0.0155 0.0528 0.1867
Echinococcus granulosus histone lysine methyltransferase setb 0.0344 0.1263 1
Loa Loa (eye worm) hypothetical protein 0.0074 0.0213 0.0341
Mycobacterium ulcerans putative oxalyl-CoA decarboxylase 0.0107 0.034 0.0328
Onchocerca volvulus 0.004 0.0081 0.0107
Trypanosoma brucei Protein prenyltransferase alpha subunit repeat, putative 0.004 0.0081 0.1612
Leishmania major hexokinase, putative 0.0052 0.0126 0.2618
Echinococcus granulosus hexokinase type 2 0.0052 0.0126 0.0998
Schistosoma mansoni rab geranylgeranyl transferase alpha subunit 0.004 0.0081 0.0285
Schistosoma mansoni geranylgeranyl transferase type I beta subunit 0.0222 0.0791 0.2797
Toxoplasma gondii N-acetylglucosaminylphosphatidylinositol deacetylase 0.0085 0.0256 0.1982
Echinococcus granulosus hepatocyte nuclear factor 4 alpha 0.002 0 0.0003
Entamoeba histolytica geranylgeranyl transferase beta subunit 0.0222 0.0791 1
Onchocerca volvulus Lysosome membrane protein 2 homolog 0.0073 0.0208 0.0276
Toxoplasma gondii hypothetical protein 0.0115 0.0371 0.2898
Entamoeba histolytica hypothetical protein 0.0043 0.0093 0.1039
Echinococcus multilocularis protein farnesyltransferase subunit beta 0.0137 0.046 0.364
Trypanosoma cruzi protein farnesyltransferase, putative 0.0137 0.046 1
Mycobacterium tuberculosis Probable oxalyl-CoA decarboxylase OxcA 0.0107 0.034 0.0344
Schistosoma mansoni tar DNA-binding protein 0.0041 0.0085 0.0299
Echinococcus multilocularis hepatocyte nuclear factor 4 alpha 0.002 0 0.0003
Toxoplasma gondii histone lysine methyltransferase SET/SUV39 0.0344 0.1263 1
Loa Loa (eye worm) thioredoxin reductase 0.0021 0.0008 0.0012
Loa Loa (eye worm) RNA recognition domain-containing protein domain-containing protein 0.0041 0.0085 0.0135
Brugia malayi Pre-SET motif family protein 0.162 0.6234 1
Echinococcus granulosus chromobox protein 1 0.0072 0.0205 0.1621
Brugia malayi Hexokinase family protein 0.0033 0.0051 0.0081
Loa Loa (eye worm) pre-SET domain-containing protein family protein 0.162 0.6234 1
Trypanosoma cruzi hypothetical protein, conserved 0.0059 0.0153 0.3205
Plasmodium vivax protein prenyltransferase alpha subunit, putative 0.004 0.0081 0.058
Brugia malayi hypothetical protein 0.0034 0.0057 0.0091
Echinococcus multilocularis ecdysone induced protein 78C 0.002 0 0.0003
Plasmodium falciparum hexokinase 0.0052 0.0126 0.2274
Plasmodium falciparum acyl-CoA synthetase 0.0061 0.0162 0.2966
Mycobacterium ulcerans pyruvate or indole-3-pyruvate decarboxylase Pdc 0.0061 0.0162 0.015
Trypanosoma cruzi protein farnesyltransferase, putative 0.0137 0.046 1
Trichomonas vaginalis protein farnesyltransferase alpha subunit, putative 0.0155 0.0528 0.0631
Trichomonas vaginalis geranylgeranyl transferase type II beta subunit, putative 0.0137 0.046 0.054
Trypanosoma brucei hexokinase 0.0052 0.0126 0.2618
Echinococcus granulosus protein farnesyltransferase subunit beta 0.0137 0.046 0.364
Entamoeba histolytica protein farnesyltransferase beta subunit, putative 0.0137 0.046 0.5746
Trypanosoma brucei phosphonopyruvate decarboxylase-like protein, putative 0.0035 0.0058 0.1122
Echinococcus granulosus N acetylglucosaminyl phosphatidylinositol 0.0085 0.0256 0.2031
Plasmodium vivax holo-[acyl-carrier-protein] synthase, putative 0.0023 0.0012 0.0037
Loa Loa (eye worm) hexokinase 0.0033 0.0051 0.0081
Schistosoma mansoni RAR-like nuclear receptor 0.002 0 0.0001
Echinococcus granulosus Nuclear hormone receptor family member nhr 41 0.002 0 0.0003
Brugia malayi Heterochromatin protein 1 0.0072 0.0205 0.0328
Loa Loa (eye worm) hypothetical protein 0.0034 0.0057 0.0091
Leishmania major N-acetyl-D-acetylglucosaminylphosphatidylinositol deacetylase 0.0085 0.0256 0.5505
Entamoeba histolytica hypothetical protein 0.0043 0.0093 0.1039
Echinococcus granulosus nuclear receptor 2DBD gamma 0.002 0 0.0003
Schistosoma mansoni hypothetical protein 0.0022 0.001 0.0037
Trypanosoma brucei phosphonopyruvate decarboxylase-like protein, putative 0.0035 0.0058 0.1122
Schistosoma mansoni chromobox protein 0.0034 0.0057 0.0201
Schistosoma mansoni tar DNA-binding protein 0.0041 0.0085 0.0299
Entamoeba histolytica N-acetylglucosaminyl-phosphatidylinositol de-N-acetylase, putative 0.0085 0.0256 0.3136
Giardia lamblia Prenyltransferase 0.0137 0.046 0.8472
Mycobacterium tuberculosis Acetolactate synthase (large subunit) IlvB1 (acetohydroxy-acid synthase) 0.0046 0.0102 0.0097
Echinococcus multilocularis chromobox protein 2 0.0034 0.0057 0.045
Schistosoma mansoni Tr4/Tr2 (homologue) 0.002 0 0.0001
Brugia malayi chromobox protein homolog 3 0.0052 0.0127 0.0203
Loa Loa (eye worm) hexokinase 0.0052 0.0126 0.0202
Trypanosoma cruzi phosphonopyruvate decarboxylase, putative 0.0035 0.0058 0.1122
Plasmodium vivax conserved Plasmodium protein, unknown function 0.0079 0.0231 0.1779
Brugia malayi Hexokinase family protein 0.0052 0.0126 0.0202
Echinococcus multilocularis histone lysine N methyltransferase SETMAR 0.0344 0.1263 1
Plasmodium vivax SET domain protein, putative 0.0344 0.1263 1
Mycobacterium leprae Probable Acetolactate synthase IlvG (Acetohydroxy-acid synthase)(ALS) 0.0107 0.034 0.0328
Brugia malayi latrophilin 2 splice variant baaae 0.0022 0.001 0.0016
Echinococcus granulosus hexokinase 0.0052 0.0126 0.0998
Brugia malayi MH2 domain containing protein 0.0078 0.0227 0.0363
Echinococcus granulosus CD36 class B scavenger receptor 0.0073 0.0208 0.1646
Loa Loa (eye worm) hypothetical protein 0.0028 0.0031 0.0049
Schistosoma mansoni CD36-like class B scavenger receptor 0.0073 0.0208 0.0735
Trichomonas vaginalis geranylgeranyl transferase type II beta subunit, putative 0.0137 0.046 0.054
Leishmania major protein farnesyltransferase alpha subunit, putative 0.004 0.0081 0.1612
Plasmodium falciparum protein farnesyltransferase subunit alpha 0.0155 0.0528 1
Schistosoma mansoni chromodomain helicase DNA binding protein 0.0034 0.0057 0.0201
Trichomonas vaginalis chromobox protein, putative 0.0072 0.0205 0.0198
Toxoplasma gondii 'chromo' (CHRromatin Organization MOdifier) domain-containing protein 0.0034 0.0057 0.0392
Trypanosoma brucei protein farnesyltransferase beta subunit 0.0137 0.046 1
Loa Loa (eye worm) hypothetical protein 0.0073 0.0208 0.0333
Echinococcus granulosus lysosome membrane protein 2 0.0073 0.0208 0.1646
Echinococcus multilocularis CD36 class B scavenger receptor 0.0073 0.0208 0.1646
Brugia malayi RNA binding protein 0.0041 0.0085 0.0135
Schistosoma mansoni chromobox protein-related (chromobox 1) (heterochromatin 1) 0.0034 0.0057 0.0201
Echinococcus granulosus CD36 class B scavenger receptor 0.0073 0.0208 0.1646
Schistosoma mansoni acetolactate synthase 0.0091 0.0279 0.0988
Brugia malayi CHD4 protein 0.0034 0.0057 0.0091
Onchocerca volvulus 0.0197 0.0691 0.0918
Schistosoma mansoni single-minded 0.0022 0.001 0.0036
Toxoplasma gondii chromodomain helicase DNA binding protein CHD1/SWI2/SNF2 0.0034 0.0057 0.0392
Echinococcus granulosus chromobox protein 2 0.0034 0.0057 0.045
Schistosoma mansoni FTZ-F1 nuclear receptor-like protein 0.002 0 0.0001
Toxoplasma gondii Rab geranylgeranyl transferase type II beta subunit, putative 0.0059 0.0153 0.1154
Brugia malayi TAR-binding protein 0.0041 0.0085 0.0135
Schistosoma mansoni geranylgeranyl transferase type I beta subunit 0.0222 0.0791 0.2797
Plasmodium falciparum N-acetylglucosaminylphosphatidylinositol deacetylase, putative 0.0085 0.0256 0.4782
Schistosoma mansoni CD36-like class B scavenger receptor 0.0073 0.0208 0.0735
Echinococcus multilocularis hexokinase 0.0052 0.0126 0.0998
Loa Loa (eye worm) heterochromatin protein 1 0.0072 0.0205 0.0328
Echinococcus granulosus hexokinase 0.0052 0.0126 0.0998
Trichomonas vaginalis conserved hypothetical protein 0.0052 0.0127 0.0094
Loa Loa (eye worm) phosphatidylinositol glycan anchor biosynthesis protein 0.0085 0.0256 0.0411
Echinococcus granulosus thioredoxin glutathione reductase 0.0022 0.0009 0.007
Loa Loa (eye worm) hypothetical protein 0.0022 0.001 0.0016
Schistosoma mansoni retinoid-x-receptor (RXR) 0.002 0 0.0001
Toxoplasma gondii prenyltransferase and squalene oxidase repeat-containing protein 0.0059 0.0153 0.1154
Schistosoma mansoni tar DNA-binding protein 0.0041 0.0085 0.0299
Brugia malayi Type III restriction enzyme, res subunit family protein 0.0034 0.0057 0.0091
Echinococcus multilocularis lysosome membrane protein 2 0.0073 0.0208 0.1646
Echinococcus multilocularis chromobox protein 1 0.0072 0.0205 0.1621
Loa Loa (eye worm) MH2 domain-containing protein 0.0078 0.0227 0.0363
Entamoeba histolytica hexokinase 1 0.0052 0.0126 0.146
Trypanosoma brucei hexokinase, putative 0.0052 0.0126 0.2618
Brugia malayi Prenyltransferase and squalene oxidase repeat family protein 0.0137 0.046 0.0737
Schistosoma mansoni hypothetical protein 0.0043 0.0093 0.033
Onchocerca volvulus 0.0052 0.0126 0.0167
Brugia malayi Prenyltransferase and squalene oxidase repeat family protein 0.0222 0.0791 0.1268
Trypanosoma cruzi hypothetical protein, conserved 0.004 0.0081 0.1612
Plasmodium vivax geranylgeranyltransferase, putative 0.0059 0.0153 0.1154
Echinococcus multilocularis L aminoadipate semialdehyde 0.0081 0.0238 0.1888
Loa Loa (eye worm) hexokinase 0.0052 0.0126 0.0202
Trypanosoma brucei protein farnesyltransferase alpha subunit, putative 0.004 0.0081 0.1612
Mycobacterium ulcerans acetolactate synthase 1 catalytic subunit 0.0107 0.034 0.0328
Brugia malayi Valyl-tRNA synthetase 0.0034 0.0057 0.0091
Brugia malayi hypoxia-induced factor 1 0.0068 0.0191 0.0305
Plasmodium vivax N-acetylglucosaminylphosphatidylinositol deacetylase, putative 0.0085 0.0256 0.1982
Trichomonas vaginalis protein farnesyltransferase beta subunit, putative 0.0059 0.0153 0.0128
Trypanosoma cruzi lanosterol synthase, putative 0.0059 0.0153 0.3205
Giardia lamblia Glucosamine-6-phosphate isomerase, putative 0.0085 0.0256 0.3932
Schistosoma mansoni acetolactate synthase 0.0091 0.0279 0.0988
Mycobacterium tuberculosis Mycothiol conjugate amidase Mca (mycothiol S-conjugate amidase) 0.2501 0.9668 1
Schistosoma mansoni photoreceptor-specific nuclear receptor related 0.002 0 0.0001
Entamoeba histolytica Rab geranylgeranyltransferase beta subunit, putative 0.0059 0.0153 0.1801
Brugia malayi SET domain containing protein 0.0415 0.154 0.247
Mycobacterium tuberculosis N-acetyl-1-D-myo-inosityl-2-amino-2-deoxy-alpha-D-glucopyranoside deacetylase MshB (GlcNAc-Ins deacetylase) 0.0085 0.0256 0.0257
Loa Loa (eye worm) hypothetical protein 0.0381 0.1407 0.2257
Echinococcus multilocularis CD36 class B scavenger receptor 0.0073 0.0208 0.1646
Loa Loa (eye worm) hypothetical protein 0.0034 0.0057 0.0091
Onchocerca volvulus 0.0745 0.2827 0.3759
Echinococcus multilocularis chromobox protein 1 0.0072 0.0205 0.1621
Entamoeba histolytica Rab geranylgeranyltransferase alpha subunit, putative 0.004 0.0081 0.0876
Brugia malayi hypothetical protein 0.0028 0.0031 0.0049
Leishmania major hexokinase, putative 0.0052 0.0126 0.2618
Echinococcus granulosus histone lysine N methyltransferase NSD3 0.0034 0.0056 0.0445
Trypanosoma cruzi N-Acetyl-D-glucosaminylphosphatidylinositol de-N-acetylase, putative 0.0085 0.0256 0.5505
Echinococcus multilocularis hexokinase 0.0052 0.0126 0.0998
Loa Loa (eye worm) hypothetical protein 0.0402 0.1488 0.2387
Loa Loa (eye worm) hypothetical protein 0.0344 0.1263 0.2025
Loa Loa (eye worm) hypothetical protein 0.0059 0.0153 0.0244
Echinococcus granulosus FTZ F1 alpha 0.002 0 0.0003
Schistosoma mansoni aminoadipate-semialdehyde dehydrogenase 0.0081 0.0238 0.0843
Echinococcus multilocularis nuclear receptor 2DBD gamma 0.002 0 0.0003
Onchocerca volvulus 0.0033 0.0051 0.0067
Entamoeba histolytica protein farnesyltransferase alpha subunit, putative 0.0155 0.0528 0.6624
Brugia malayi Probable protein farnesyltransferase beta subunit, putative 0.0059 0.0153 0.0244
Brugia malayi Pre-SET motif family protein 0.0344 0.1263 0.2025
Brugia malayi Associated with TFs and helicases family protein 0.0034 0.0057 0.0091
Plasmodium falciparum geranylgeranyltransferase, putative 0.0059 0.0153 0.2784
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0344 0.1263 0.4466
Entamoeba histolytica chromodomain-helicase-DNA-binding protein, putative 0.0034 0.0057 0.0571
Trypanosoma cruzi geranylgeranyl transferase type II beta subunit, putative 0.0059 0.0153 0.3205
Echinococcus granulosus geranylgeranyl transferase type I beta subunit 0.0222 0.0791 0.6262
Trichomonas vaginalis protein farnesyltransferase alpha subunit, putative 0.0155 0.0528 0.0631
Trypanosoma cruzi lanosterol synthase, putative 0.0059 0.0153 0.3205
Mycobacterium tuberculosis Probable acetolactate synthase IlvG (acetohydroxy-acid synthase)(ALS) 0.0107 0.034 0.0344
Loa Loa (eye worm) ILVBL protein 0.0065 0.0176 0.0281
Brugia malayi RNA recognition motif domain containing protein 0.0041 0.0085 0.0135
Trypanosoma brucei hypothetical protein, conserved 0.0023 0.0012 0.0103
Schistosoma mansoni chromodomain helicase DNA binding protein 0.0034 0.0057 0.0201
Echinococcus granulosus retinoic acid receptor rxr beta a 0.002 0 0.0003
Echinococcus granulosus CD36 class B scavenger receptor 0.0073 0.0208 0.1646
Schistosoma mansoni nuclear receptor 2DBD-gamma 0.002 0 0.0001
Schistosoma mansoni transcription factor LCR-F1 0.0043 0.0093 0.033
Plasmodium falciparum chromodomain-helicase-DNA-binding protein 1 homolog, putative 0.0034 0.0057 0.0945
Echinococcus multilocularis geminin 0.011 0.0354 0.2802
Onchocerca volvulus 0.195 0.7521 1
Entamoeba histolytica hexokinase 2 0.0052 0.0126 0.146
Mycobacterium leprae PROBABLE ACETOLACTATE SYNTHASE (LARGE SUBUNIT) ILVB (ACETOHYDROXY-ACID SYNTHASE) 0.0107 0.034 0.0328
Trypanosoma brucei lanosterol synthase 0.0059 0.0153 0.3205
Schistosoma mansoni steroid hormone receptor ad4bp 0.002 0 0.0001
Schistosoma mansoni geranylgeranyl transferase type II beta subunit 0.0059 0.0153 0.054
Onchocerca volvulus 0.0052 0.0126 0.0167
Schistosoma mansoni cd36 antigen 0.0028 0.0031 0.011
Echinococcus multilocularis CD36 class B scavenger receptor 0.0073 0.0208 0.1646
Echinococcus granulosus geranylgeranyl transferase type 2 subunit alpha 0.004 0.0081 0.0638
Onchocerca volvulus 0.0034 0.0057 0.0075
Loa Loa (eye worm) CHromoDomain protein family member 0.0034 0.0057 0.0091
Onchocerca volvulus 0.0081 0.0238 0.0316
Loa Loa (eye worm) hypothetical protein 0.0073 0.0208 0.0333
Plasmodium vivax farnesyltransferase beta subunit, putative 0.0137 0.046 0.3601
Toxoplasma gondii prenyltransferase and squalene oxidase repeat-containing protein 0.0137 0.046 0.3601
Schistosoma mansoni SET domain protein 0.0034 0.0056 0.0199
Mycobacterium tuberculosis holo-[acyl-carrier protein] synthase AcpS (holo-ACP synthase) (CoA:APO-[ACP]pantetheinephosphotransferase) (CoA:APO-[acyl-carrie 0.0023 0.0012 0.0005
Giardia lamblia Rab geranylgeranyltransferase 0.0155 0.0528 1
Echinococcus multilocularis CD36 class B scavenger receptor 0.0073 0.0208 0.1646
Echinococcus multilocularis CD36 class B scavenger receptor 0.0073 0.0208 0.1646
Loa Loa (eye worm) hypothetical protein 0.0081 0.0238 0.0382
Loa Loa (eye worm) hypothetical protein 0.0034 0.0057 0.0091
Brugia malayi Thioredoxin reductase 0.0021 0.0008 0.0012
Plasmodium vivax prenyltransferase alpha subunit, putative 0.0155 0.0528 0.4146
Schistosoma mansoni hypothetical protein 0.011 0.0354 0.1252
Entamoeba histolytica chromodomain-helicase-DNA-binding protein, putative 0.0034 0.0057 0.0571
Plasmodium falciparum geranylgeranyl transferase type-2 subunit alpha, putative 0.004 0.0081 0.14
Echinococcus granulosus CD36 class B scavenger receptor 0.0073 0.0208 0.1646
Loa Loa (eye worm) RNA binding protein 0.0041 0.0085 0.0135
Brugia malayi glutathione reductase 0.0021 0.0008 0.0012
Trypanosoma cruzi protein farnesyltransferase alpha subunit, putative 0.004 0.0081 0.1612
Plasmodium falciparum geranylgeranyl transferase type2 beta subunit, putative 0.0059 0.0153 0.2784
Trypanosoma brucei geranylgeranyl transferase type II beta subunit, putative 0.0059 0.0153 0.3205
Echinococcus multilocularis protein prenyltransferase alpha subunit 0.004 0.0081 0.0638
Loa Loa (eye worm) hypothetical protein 0.0155 0.0528 0.0846
Echinococcus multilocularis N acetylglucosaminyl phosphatidylinositol 0.0085 0.0256 0.2031
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0344 0.1263 0.4466
Loa Loa (eye worm) prenyltransferase alpha subunit repeat containing protein 0.0155 0.0528 0.0846
Loa Loa (eye worm) hypothetical protein 0.0197 0.0691 0.1107
Schistosoma mansoni chromobox protein 0.0034 0.0057 0.0201
Loa Loa (eye worm) thiamine pyrophosphate enzyme 0.0061 0.0162 0.026
Schistosoma mansoni tar DNA-binding protein 0.0041 0.0085 0.0299
Trichomonas vaginalis geranylgeranyl transferase type I beta subunit, putative 0.0137 0.046 0.054
Echinococcus granulosus Chromo domain 0.0034 0.0057 0.045
Leishmania major phosphopantetheinyl transferase-like protein 0.0023 0.0012 0.0103
Echinococcus granulosus protein farnesyltransferase alpha subunit 0.0155 0.0528 0.4181
Trichomonas vaginalis chromobox protein, putative 0.0054 0.0135 0.0104
Schistosoma mansoni histone-lysine n-methyltransferase suv9 0.0745 0.2827 1
Mycobacterium ulcerans mycothiol conjugate amidase Mca 0.2586 1 1
Echinococcus granulosus FTZ F1 nuclear receptor protein 0.002 0 0.0003
Trichomonas vaginalis glucosamine-6-phosphate isomerase, putative 0.0085 0.0256 0.0267
Echinococcus multilocularis tar DNA binding protein 0.0041 0.0085 0.067
Trichomonas vaginalis protein farnesyltransferase alpha subunit/RAB geranylgeranyl transferase alpha subunit, putative 0.0115 0.0371 0.0421
Loa Loa (eye worm) hypothetical protein 0.0028 0.0031 0.0049
Trypanosoma brucei hypothetical protein, conserved 0.004 0.0081 0.1612
Schistosoma mansoni hypothetical protein 0.0034 0.0057 0.0201
Plasmodium falciparum protein farnesyltransferase subunit beta 0.0137 0.046 0.8686
Schistosoma mansoni chromobox protein-related (chromobox 1) (heterochromatin 1) 0.0034 0.0057 0.0201
Echinococcus multilocularis Rab geranylgeranyltransferase, beta subunit 0.0059 0.0153 0.1208
Onchocerca volvulus Hexokinase homolog 0.0033 0.0051 0.0067
Echinococcus multilocularis geranylgeranyl transferase type 2 subunit alpha 0.004 0.0081 0.0638
Loa Loa (eye worm) hypothetical protein 0.0028 0.0031 0.0049
Entamoeba histolytica hypothetical protein 0.0043 0.0093 0.1039
Mycobacterium tuberculosis Conserved hypothetical protein 0.0085 0.0256 0.0257
Echinococcus multilocularis chromodomain helicase DNA binding protein 1 0.0034 0.0057 0.045
Trypanosoma brucei N-acetyl-D-glucosaminylphosphatidylinositol de-N-acetylase 0.0085 0.0256 0.5505
Plasmodium vivax geranylgeranyl transferase type2 beta subunit, putative 0.0059 0.0153 0.1154
Echinococcus multilocularis histone lysine methyltransferase setb histone lysine methyltransferase eggless 0.0344 0.1263 1
Plasmodium vivax hypothetical protein, conserved 0.0034 0.0057 0.0392
Plasmodium falciparum holo-[acyl-carrier-protein] synthase, putative 0.0023 0.0012 0.009
Echinococcus multilocularis thioredoxin glutathione reductase 0.0022 0.0009 0.007
Toxoplasma gondii hypothetical protein 0.004 0.0081 0.058
Loa Loa (eye worm) hypothetical protein 0.0034 0.0057 0.0091
Chlamydia trachomatis holo [acyl-carrier protein] synthase 0.0023 0.0012 0.5
Trypanosoma cruzi phosphonopyruvate decarboxylase, putative 0.0035 0.0058 0.1122
Echinococcus granulosus COUP TF:Svp nuclear hormone receptor 0.002 0 0.0003
Plasmodium vivax heterochromatin protein 1, putative 0.0034 0.0057 0.0392
Trypanosoma cruzi N-Acetyl-D-glucosaminylphosphatidylinositol de-N-acetylase, putative 0.0085 0.0256 0.5505
Schistosoma mansoni protein farnesyltransferase subunit beta 0.0137 0.046 0.1626
Brugia malayi Protein prenyltransferase alpha subunit repeat containing protein 0.004 0.0081 0.0129
Schistosoma mansoni coup transcription factor 0.002 0 0.0001
Loa Loa (eye worm) hypothetical protein 0.0035 0.0062 0.0098
Trypanosoma brucei Protein prenyltransferase alpha subunit repeat, putative 0.004 0.0081 0.1612
Trichomonas vaginalis protein farnesyltransferase alpha subunit, putative 0.004 0.0081 0.0032
Echinococcus multilocularis COUP TF:Svp nuclear hormone receptor 0.002 0 0.0003
Mycobacterium tuberculosis Halimadienyl diphosphate synthase 0.0059 0.0153 0.015
Loa Loa (eye worm) TAR-binding protein 0.0041 0.0085 0.0135
Brugia malayi hypothetical protein 0.0043 0.0093 0.0149
Leishmania major farnesyltransferase beta subunit 0.0137 0.046 1
Treponema pallidum hexokinase (hxk) 0.0052 0.0126 1
Entamoeba histolytica hypothetical protein 0.0034 0.0057 0.0571
Mycobacterium ulcerans hypothetical protein 0.0035 0.0058 0.0046
Loa Loa (eye worm) prenyltransferase and squalene oxidase repeat family protein 0.0222 0.0791 0.1268
Leishmania major geranylgeranyltransferase, putative 0.0059 0.0153 0.3205
Trypanosoma cruzi hypothetical protein, conserved 0.0059 0.0153 0.3205
Plasmodium vivax acyl-CoA synthetase, putative 0.0061 0.0162 0.1229
Brugia malayi Calcitonin receptor-like protein seb-1 0.0032 0.005 0.008
Echinococcus granulosus chromodomain helicase DNA binding protein 1 0.0034 0.0057 0.045
Entamoeba histolytica chromodomain-helicase-DNA-binding protein, putative 0.0034 0.0057 0.0571
Leishmania major phosphonopyruvate decarboxylase-like protein 0.0035 0.0058 0.1122
Trichomonas vaginalis type I geranylgeranyltransferase beta subunit, putative 0.0137 0.046 0.054
Schistosoma mansoni nuclear hormone receptor 0.002 0 0.0001
Trichomonas vaginalis protein farnesyltransferase beta subunit, putative 0.0059 0.0153 0.0128
Echinococcus granulosus L aminoadipate semialdehyde 0.0081 0.0238 0.1888
Toxoplasma gondii 'chromo' (CHRromatin Organization MOdifier) domain-containing protein 0.0034 0.0057 0.0392
Schistosoma mansoni N-acetylglucosaminyl-phosphatidylinositol de-n-acetylase 0.0085 0.0256 0.0907
Brugia malayi aminoadipate-semialdehyde dehydrogenase-phosphopantetheinyl transferase 0.0081 0.0238 0.0382
Plasmodium vivax hypothetical protein, conserved 0.0034 0.0057 0.0392
Schistosoma mansoni aryl hydrocarbon receptor 0.0022 0.001 0.0036
Onchocerca volvulus Heterochromatin protein 1 homolog 0.0054 0.0135 0.0178
Echinococcus multilocularis hexokinase 0.0052 0.0126 0.0998
Trichomonas vaginalis geranylgeranyl transferase type II beta subunit, putative 0.0137 0.046 0.054
Echinococcus granulosus nuclear receptor 2DBD gamma 0.002 0 0.0003
Loa Loa (eye worm) hypothetical protein 0.0034 0.0057 0.0091
Schistosoma mansoni scavenger receptor class B type-2 (sr-B2) 0.0073 0.0208 0.0735
Loa Loa (eye worm) hypothetical protein 0.002 0.0002 0.0002
Toxoplasma gondii 4'-phosphopantetheinyl transferase domain-containing protein 0.0023 0.0012 0.0037

Activities

Activity type Activity value Assay description Source Reference
Potency (functional) 4.1095 uM PUBCHEM_BIOASSAY: Nrf2 qHTS screen for inhibitors. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID493153, AID493163, AID504648] ChEMBL. No reference
Potency (functional) 20.5962 uM PubChem BioAssay. Nrf2 qHTS screen for inhibitors: Nrf2 A549 ARE-Fluc Confirmation Assay for Hit Validation. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 35.4813 uM PUBCHEM_BIOASSAY: qHTS Assay for the Inhibitors of Human Flap endonuclease 1 (FEN1). (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID488813] ChEMBL. No reference
Potency (functional) 35.4813 uM PUBCHEM_BIOASSAY: qHTS for Inhibitors of TGF-b. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID588856, AID588860] ChEMBL. No reference
Potency (functional) 35.4813 uM PubChem BioAssay. qHTS Assay for Activators of ClpP. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 39.8107 uM PUBCHEM_BIOASSAY: Inhibitors of Regulator of G Protein Signaling (RGS) 4: qHTS. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID504856] ChEMBL. No reference

Phenotypes

Whole-cell/tissue/organism interactions

We have no records of whole-cell/tissue assays done with this compound What does this mean?

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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