Detailed information for compound 1374151

Basic information

Technical information
  • TDR Targets ID: 1374151
  • Name: 3-[2-[4-(4-fluorophenyl)piperazin-1-yl]-2-oxo ethyl]-6-methylthieno[3,2-e]pyrimidin-4-one
  • MW: 386.443 | Formula: C19H19FN4O2S
  • H donors: 0 H acceptors: 2 LogP: 2.52 Rotable bonds: 4
    Rule of 5 violations (Lipinski): 1
  • SMILES: Fc1ccc(cc1)N1CCN(CC1)C(=O)Cn1cnc2c(c1=O)cc(s2)C
  • InChi: 1S/C19H19FN4O2S/c1-13-10-16-18(27-13)21-12-24(19(16)26)11-17(25)23-8-6-22(7-9-23)15-4-2-14(20)3-5-15/h2-5,10,12H,6-9,11H2,1H3
  • InChiKey: RUHXHNODZNHLLS-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

  • 3-[2-[4-(4-fluorophenyl)piperazin-1-yl]-2-oxo-ethyl]-6-methyl-thieno[3,2-e]pyrimidin-4-one
  • 3-[2-[4-(4-fluorophenyl)-1-piperazinyl]-2-oxoethyl]-6-methyl-4-thieno[3,2-e]pyrimidinone
  • 3-[2-[4-(4-fluorophenyl)piperazin-1-yl]-2-keto-ethyl]-6-methyl-thieno[3,2-e]pyrimidin-4-one
  • MLS000047123
  • 3-{2-[4-(4-fluorophenyl)piperazin-1-yl]-2-oxoethyl}-6-methylthieno[2,3-d]pyrimidin-4(3H)-one
  • Oprea1_318473
  • SMR000033134
  • EU-0099327

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Homo sapiens glucagon-like peptide 1 receptor Starlite/ChEMBL No references

Predicted pathogen targets for this compound

By orthology
No druggable targets predicted by orthology data
By sequence similarity to non orthologous known druggable targets
Species Potential target Known druggable target Length Alignment span Identity
Loa Loa (eye worm) pigment dispersing factor receptor c glucagon-like peptide 1 receptor 463 aa 388 aa 25.8 %
Obtained from network model

Ranking Plot

Putative Targets List

Species Potential target Raw Global Species
Toxoplasma gondii histone lysine acetyltransferase GCN5-A 0.0042 0.0695 0.6179
Trypanosoma cruzi GTP-binding nuclear protein rtb2, putative 0.0022 0.0292 0.487
Echinococcus multilocularis importin subunit beta 1 0.003 0.0452 0.0647
Brugia malayi Pre-SET motif family protein 0.0439 0.8767 1
Plasmodium falciparum importin beta, putative 0.003 0.0452 0.7242
Trichomonas vaginalis bromodomain-containing protein, putative 0.0042 0.0695 0.0695
Trichomonas vaginalis DNA polymerase eta, putative 0.0019 0.023 0.023
Schistosoma mansoni sex comb on midleg homolog 0.0052 0.0905 0.1295
Loa Loa (eye worm) nucleolar RNA-associated protein alpha 0.0319 0.6323 0.7212
Entamoeba histolytica hypothetical protein 0.0224 0.4409 1
Plasmodium vivax dihydrolipoyl dehydrogenase, mitochondrial, putative 0.0013 0.0107 0.0949
Brugia malayi steroid hormone receptor 0.0011 0.007 0.008
Mycobacterium ulcerans long-chain-fatty-acid--CoA ligase 0.0026 0.0372 1
Brugia malayi Nuclear hormone receptor family member nhr-31 0.0011 0.007 0.008
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0063 0.1125 0.161
Echinococcus multilocularis COUP TF:Svp nuclear hormone receptor 0.0011 0.007 0.01
Onchocerca volvulus 0.0063 0.1125 0.1125
Plasmodium falciparum thioredoxin reductase 0.0037 0.06 0.9603
Schistosoma mansoni Tr4/Tr2 (homologue) 0.0011 0.007 0.01
Brugia malayi AMP-binding enzyme family protein 0.0026 0.0372 0.0424
Plasmodium falciparum acyl-CoA synthetase 0.0019 0.0239 0.3826
Trypanosoma brucei DNA polymerase kappa, putative 0.0019 0.023 0.3838
Trypanosoma brucei DNA polymerase kappa, putative 0.0019 0.023 0.3838
Schistosoma mansoni hypothetical protein 0.0317 0.6287 0.8997
Giardia lamblia DINP protein human, muc B family 0.0019 0.023 0.2384
Brugia malayi Nuclear hormone receptor family member nhr-19 0.0011 0.007 0.008
Echinococcus multilocularis gcn5proteinral control of amino acid synthesis 0.0142 0.2735 0.3914
Loa Loa (eye worm) pre-SET domain-containing protein family protein 0.0439 0.8767 1
Trypanosoma brucei trypanothione reductase 0.0037 0.06 1
Echinococcus granulosus polycomb protein SCMH1 0.0052 0.0905 0.1295
Loa Loa (eye worm) hypothetical protein 0.0011 0.007 0.008
Trypanosoma brucei dihydrolipoyl dehydrogenase 0.0013 0.0107 0.178
Echinococcus multilocularis endonuclease exonuclease phosphatase 0.0205 0.4021 0.5754
Echinococcus granulosus GTP binding nuclear protein Ran 0.0022 0.0292 0.0418
Leishmania major 4-coumarate:coa ligase-like protein 0.0026 0.0372 0.6205
Mycobacterium ulcerans DNA polymerase IV 0.0019 0.023 0.6186
Mycobacterium ulcerans fatty-acid-CoA ligase 0.0026 0.0372 1
Echinococcus granulosus diuretic hormone 44 receptor GPRdih2 0.0019 0.0233 0.0333
Schistosoma mansoni hypothetical protein 0.0019 0.0233 0.0333
Loa Loa (eye worm) hypothetical protein 0.0041 0.0682 0.0778
Echinococcus granulosus COUP TF:Svp nuclear hormone receptor 0.0011 0.007 0.01
Trypanosoma cruzi trypanothione reductase, putative 0.0013 0.0107 0.178
Leishmania major 4-coumarate:coa ligase-like protein 0.0026 0.0372 0.6205
Brugia malayi Pre-SET motif family protein 0.0063 0.1125 0.1283
Trichomonas vaginalis Importin beta-1 subunit, putative 0.0024 0.0337 0.0337
Trypanosoma cruzi DNA polymerase eta, putative 0.0019 0.023 0.3838
Schistosoma mansoni thyroid hormone receptor 0.0011 0.007 0.01
Loa Loa (eye worm) thioredoxin reductase 0.0037 0.06 0.0684
Trypanosoma cruzi trypanothione reductase, putative 0.0037 0.06 1
Brugia malayi photoreceptor-specific nuclear receptor 0.0011 0.007 0.008
Toxoplasma gondii thioredoxin reductase 0.0037 0.06 0.5329
Loa Loa (eye worm) hypothetical protein 0.003 0.0452 0.0516
Echinococcus multilocularis cadherin EGF LAG seven pass G type receptor 0.0019 0.0233 0.0333
Trichomonas vaginalis Importin beta-1 subunit, putative 0.0024 0.0337 0.0337
Mycobacterium tuberculosis Conserved hypothetical protein 0.0019 0.023 0.1309
Mycobacterium ulcerans flavoprotein disulfide reductase 0.0013 0.0107 0.2868
Brugia malayi ImpB/MucB/SamB family protein 0.0019 0.023 0.0262
Schistosoma mansoni hypothetical protein 0.0319 0.6323 0.9049
Brugia malayi Ligand-binding domain of nuclear hormone receptor family protein 0.0011 0.007 0.008
Brugia malayi Pyridine nucleotide-disulphide oxidoreductase, dimerisation domain containing protein 0.0009 0.0037 0.0043
Loa Loa (eye worm) steroid hormone receptor 0.0011 0.007 0.008
Entamoeba histolytica hypothetical protein 0.0224 0.4409 1
Loa Loa (eye worm) latrophilin receptor protein 2 0.0019 0.0233 0.0265
Trichomonas vaginalis DNA polymerase IV / kappa, putative 0.0019 0.023 0.023
Brugia malayi Calcitonin receptor-like protein seb-1 0.006 0.1069 0.122
Echinococcus granulosus geminin 0.0351 0.6988 1
Schistosoma mansoni ran 0.0022 0.0292 0.0418
Loa Loa (eye worm) hypothetical protein 0.0019 0.0239 0.0272
Plasmodium vivax thioredoxin reductase, putative 0.0037 0.06 0.5329
Echinococcus multilocularis GTP binding nuclear protein Ran 0.0022 0.0292 0.0418
Mycobacterium tuberculosis Fatty-acid-AMP ligase FadD30 (fatty-acid-AMP synthetase) (fatty-acid-AMP synthase) 0.0019 0.0239 0.1359
Echinococcus multilocularis nuclear receptor 2DBD gamma 0.0011 0.007 0.01
Brugia malayi mbt repeat family protein 0.0052 0.0905 0.1032
Schistosoma mansoni steroid hormone receptor ad4bp 0.0011 0.007 0.01
Schistosoma mansoni hypothetical protein 0.0019 0.0233 0.0333
Schistosoma mansoni RAR-like nuclear receptor 0.0011 0.007 0.01
Plasmodium falciparum dihydrolipoyl dehydrogenase, apicoplast 0.0013 0.0107 0.1709
Brugia malayi RNA, U transporter 1 0.0085 0.1571 0.1792
Trypanosoma brucei DNA polymerase kappa, putative 0.0019 0.023 0.3838
Mycobacterium tuberculosis Probable soluble pyridine nucleotide transhydrogenase SthA (STH) (NAD(P)(+) transhydrogenase [B-specific]) (nicotinamide nucleot 0.0013 0.0107 0.0607
Loa Loa (eye worm) cytochrome P450 family protein 0.0025 0.0363 0.0414
Echinococcus granulosus hepatocyte nuclear factor 4 alpha 0.0011 0.007 0.01
Loa Loa (eye worm) hypothetical protein 0.0011 0.007 0.008
Brugia malayi Latrophilin receptor protein 2 0.0019 0.0233 0.0265
Trichomonas vaginalis importin beta-1, putative 0.0024 0.0337 0.0337
Loa Loa (eye worm) RNA recognition domain-containing protein domain-containing protein 0.0138 0.2645 0.3017
Echinococcus granulosus histone acetyltransferase KAT2B 0.0042 0.0695 0.0995
Mycobacterium tuberculosis Probable fatty-acid-CoA ligase FadD5 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase) 0.0018 0.0217 0.1237
Trypanosoma brucei DNA polymerase IV, putative 0.0019 0.023 0.3838
Trypanosoma brucei DNA polymerase kappa, putative 0.0013 0.0111 0.1847
Schistosoma mansoni DNA polymerase eta 0.0019 0.023 0.0329
Echinococcus granulosus Nuclear hormone receptor family member nhr 41 0.0011 0.007 0.01
Trypanosoma brucei DNA polymerase eta, putative 0.0019 0.023 0.3838
Echinococcus multilocularis polycomb protein SCMH1 0.0052 0.0905 0.1295
Brugia malayi Thioredoxin reductase 0.0037 0.06 0.0684
Schistosoma mansoni nuclear hormone receptor nor-1/nor-2 0.0011 0.007 0.01
Leishmania major trypanothione reductase 0.0037 0.06 1
Mycobacterium ulcerans acyl-CoA synthetase 0.0026 0.0372 1
Toxoplasma gondii GTP-binding nuclear protein ran/tc4 0.0022 0.0292 0.2595
Brugia malayi calcium-independent alpha-latrotoxin receptor 2, putative 0.0019 0.0233 0.0265
Mycobacterium tuberculosis Dihydrolipoamide dehydrogenase LpdC (lipoamide reductase (NADH)) (lipoyl dehydrogenase) (dihydrolipoyl dehydrogenase) (diaphoras 0.0094 0.1758 1
Trypanosoma brucei DNA polymerase kappa, putative 0.0019 0.023 0.3838
Schistosoma mansoni rab geranylgeranyl transferase alpha subunit 0.0019 0.023 0.0329
Trypanosoma brucei unspecified product 0.0019 0.023 0.3838
Toxoplasma gondii histone lysine acetyltransferase GCN5-B 0.0042 0.0695 0.6179
Echinococcus granulosus Basic leucine zipper bZIP transcription 0.0224 0.4409 0.6309
Echinococcus multilocularis thioredoxin glutathione reductase 0.0038 0.061 0.0872
Brugia malayi mbt repeat family protein 0.0052 0.0905 0.1032
Mycobacterium ulcerans acyl-CoA synthetase 0.0026 0.0372 1
Trypanosoma brucei DNA polymerase kappa, putative 0.0019 0.023 0.3838
Trichomonas vaginalis ran, putative 0.0022 0.0292 0.0292
Trypanosoma brucei dihydrolipoamide dehydrogenase, point mutation 0.0013 0.0107 0.178
Loa Loa (eye worm) hypothetical protein 0.0011 0.007 0.008
Mycobacterium leprae PROBABLE FATTY-ACID-CoA LIGASE FADD7 (FATTY-ACID-CoA SYNTHETASE) (FATTY-ACID-CoA SYNTHASE) 0.0026 0.0372 0.2117
Brugia malayi glutathione reductase 0.0037 0.06 0.0684
Trypanosoma brucei GTP-binding nuclear protein rtb2, putative 0.0022 0.0292 0.487
Plasmodium vivax importin-beta 2, putative 0.003 0.0452 0.4019
Brugia malayi C2-HC type zinc finger protein C.e-MyT1 0.0059 0.1052 0.1199
Brugia malayi acetyltransferase, GNAT family protein 0.0142 0.2735 0.312
Mycobacterium tuberculosis Probable dehydrogenase 0.0085 0.1566 0.8908
Echinococcus granulosus histone acetyltransferase KAT2B 0.0138 0.2654 0.3798
Onchocerca volvulus 0.0026 0.0372 0.0372
Trypanosoma cruzi dihydrolipoamide dehydrogenase, putative 0.0013 0.0107 0.178
Schistosoma mansoni gcn5proteinral control of amino-acid synthesis 5-like 2 gcnl2 0.0142 0.2735 0.3914
Mycobacterium ulcerans dihydrolipoamide dehydrogenase 0.0013 0.0107 0.2868
Echinococcus granulosus suppression of tumorigenicity 18 protein 0.0059 0.1052 0.1505
Entamoeba histolytica hypothetical protein 0.0024 0.0337 0.0765
Echinococcus multilocularis geminin 0.0351 0.6988 1
Loa Loa (eye worm) hypothetical protein 0.0019 0.0239 0.0272
Brugia malayi Cytochrome P450 family protein 0.0025 0.0363 0.0414
Leishmania major DNA polymerase eta, putative 0.0019 0.023 0.3838
Trypanosoma brucei DNA polymerase kappa, putative 0.0019 0.023 0.3838
Echinococcus multilocularis ecdysone induced protein 78C 0.0011 0.007 0.01
Schistosoma mansoni tar DNA-binding protein 0.0138 0.2645 0.3786
Onchocerca volvulus Steroid hormone receptor family member cnr14 homolog 0.0011 0.007 0.007
Echinococcus granulosus importin subunit beta 1 0.003 0.0452 0.0647
Brugia malayi TAR-binding protein 0.0138 0.2645 0.3017
Mycobacterium ulcerans DNA polymerase IV 0.0019 0.023 0.6186
Mycobacterium leprae PROBABLE FATTY-ACID-CoA LIGASE FADD2 (FATTY-ACID-CoA SYNTHETASE) (FATTY-ACID-CoA SYNTHASE) 0.0026 0.0372 0.2117
Echinococcus granulosus snurportin 1 0.0319 0.6323 0.9049
Mycobacterium ulcerans hypothetical protein 0.0026 0.0372 1
Echinococcus granulosus nuclear receptor 2DBD gamma 0.0011 0.007 0.01
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0063 0.1125 0.161
Loa Loa (eye worm) nuclear hormone receptor family member nhr-40 0.0011 0.007 0.008
Leishmania major 4-coumarate:coa ligase-like protein 0.0026 0.0372 0.6205
Brugia malayi Nuclear hormone receptor family member nhr-49 0.0011 0.007 0.008
Mycobacterium tuberculosis Probable reductase 0.0085 0.1566 0.8908
Loa Loa (eye worm) ImpB/MucB/SamB family protein 0.0019 0.023 0.0262
Loa Loa (eye worm) pigment dispersing factor receptor c 0.006 0.1069 0.122
Entamoeba histolytica Ran family GTPase 0.0022 0.0292 0.0662
Toxoplasma gondii NADPH-glutathione reductase 0.0013 0.0107 0.0949
Schistosoma mansoni retinoic acid receptor RXR 0.0011 0.007 0.01
Loa Loa (eye worm) hypothetical protein 0.0052 0.0905 0.1032
Trypanosoma brucei importin beta-1 subunit, putative 0.003 0.0452 0.7542
Mycobacterium tuberculosis Probable membrane NADH dehydrogenase NdhA 0.0085 0.1566 0.8908
Echinococcus multilocularis tar DNA binding protein 0.0138 0.2645 0.3786
Trypanosoma brucei importin beta-1 subunit, putative 0.003 0.0452 0.7542
Plasmodium falciparum histone acetyltransferase GCN5 0.0038 0.0624 1
Loa Loa (eye worm) acetyltransferase 0.0142 0.2735 0.312
Brugia malayi Nuclear hormone receptor family member nhr-19 0.0011 0.007 0.008
Mycobacterium leprae PROBABLE NADH DEHYDROGENASE NDH 0.0085 0.1566 0.8908
Trypanosoma cruzi dihydrolipoamide dehydrogenase, putative 0.0013 0.0107 0.178
Brugia malayi Nuclear hormone receptor family member nhr-3 0.0011 0.007 0.008
Loa Loa (eye worm) hypothetical protein 0.0026 0.0372 0.0424
Echinococcus multilocularis terminal deoxycytidyl transferase rev1 0.0019 0.023 0.0329
Wolbachia endosymbiont of Brugia malayi dihydrolipoamide dehydrogenase E3 component 0.0013 0.0107 0.5
Trypanosoma cruzi dihydrolipoamide dehydrogenase, putative 0.0013 0.0107 0.178
Schistosoma mansoni dihydrolipoamide dehydrogenase 0.0013 0.0107 0.0153
Brugia malayi ImpB/MucB/SamB family protein 0.0019 0.023 0.0262
Loa Loa (eye worm) hypothetical protein 0.0011 0.007 0.008
Echinococcus multilocularis FTZ F1 nuclear receptor protein 0.0011 0.007 0.01
Trypanosoma cruzi dihydrolipoamide dehydrogenase, putative 0.0013 0.0107 0.178
Mycobacterium tuberculosis NADPH-dependent mycothiol reductase Mtr 0.0037 0.06 0.3411
Echinococcus granulosus cadherin EGF LAG seven pass G type receptor 0.0019 0.0233 0.0333
Brugia malayi dihydrolipoyl dehydrogenase, mitochondrial precursor, putative 0.0013 0.0107 0.0122
Trichomonas vaginalis set domain proteins, putative 0.0499 1 1
Loa Loa (eye worm) hypothetical protein 0.0019 0.0239 0.0272
Brugia malayi Nuclear hormone receptor family member nhr-40 0.0011 0.007 0.008
Mycobacterium ulcerans long-chain-fatty-acid-CoA ligase 0.0026 0.0372 1
Echinococcus multilocularis hepatocyte nuclear factor 4 alpha 0.0011 0.007 0.01
Loa Loa (eye worm) hypothetical protein 0.0011 0.007 0.008
Echinococcus granulosus histone lysine methyltransferase setb 0.0063 0.1125 0.161
Onchocerca volvulus Bile acid receptor homolog 0.0011 0.007 0.007
Brugia malayi RNA recognition motif domain containing protein 0.0138 0.2645 0.3017
Trypanosoma cruzi dihydrolipoamide dehydrogenase, putative 0.0013 0.0107 0.178
Trypanosoma brucei DNA polymerase kappa, putative 0.0013 0.0111 0.1847
Brugia malayi alpha keto acid dehydrogenase complex, E3 component, lipoamide dehydrogenase 0.0009 0.0037 0.0043
Loa Loa (eye worm) hypothetical protein 0.0019 0.0233 0.0265
Loa Loa (eye worm) hypothetical protein 0.0019 0.0239 0.0272
Trypanosoma cruzi importin beta-1 subunit, putative 0.0024 0.0337 0.5628
Onchocerca volvulus 0.0052 0.0905 0.0905
Echinococcus granulosus FTZ F1 alpha 0.0011 0.007 0.01
Chlamydia trachomatis acylglycerophosphoethanolamine acyltransferase 0.0019 0.0239 1
Brugia malayi Importin beta-1 subunit 0.003 0.0452 0.0516
Trypanosoma brucei DNA polymerase IV, putative 0.0019 0.023 0.3838
Onchocerca volvulus Protein ultraspiracle homolog 0.0011 0.007 0.007
Trypanosoma brucei DNA polymerase kappa, putative 0.0019 0.023 0.3838
Entamoeba histolytica acyl-CoA synthetase, putative 0.0026 0.0372 0.0844
Brugia malayi Steroid receptor seven-up type 2 0.0011 0.007 0.008
Schistosoma mansoni hypothetical protein 0.0224 0.4409 0.6309
Loa Loa (eye worm) nuclear hormone receptor family member nhr-1 0.0011 0.007 0.008
Loa Loa (eye worm) hypothetical protein 0.0019 0.023 0.0262
Schistosoma mansoni thyroid hormone receptor 0.0011 0.007 0.01
Echinococcus multilocularis histone lysine N methyltransferase SETMAR 0.0063 0.1125 0.161
Giardia lamblia GTP-binding nuclear protein RAN/TC4 0.0022 0.0292 0.3579
Schistosoma mansoni hypothetical protein 0.0019 0.0233 0.0333
Brugia malayi Nuclear hormone receptor family member nhr-14 0.0011 0.007 0.008
Mycobacterium tuberculosis Probable fatty-acid-CoA ligase FadD2 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase) 0.0026 0.0372 0.2117
Mycobacterium leprae DIHYDROLIPOAMIDE DEHYDROGENASE LPD (LIPOAMIDE REDUCTASE (NADH)) (LIPOYL DEHYDROGENASE) (DIHYDROLIPOYL DEHYDROGENASE) (DIAPHORASE 0.0094 0.1758 1
Trypanosoma brucei DNA polymerase kappa, putative 0.0019 0.023 0.3838
Loa Loa (eye worm) hypothetical protein 0.0019 0.0239 0.0272
Schistosoma mansoni coup transcription factor 0.0011 0.007 0.01
Plasmodium falciparum glutathione reductase 0.0037 0.06 0.9603
Brugia malayi Nuclear hormone receptor-like 1 0.0011 0.007 0.008
Schistosoma mansoni tar DNA-binding protein 0.0138 0.2645 0.3786
Trichomonas vaginalis mercuric reductase, putative 0.0013 0.0107 0.0107
Plasmodium vivax SET domain protein, putative 0.0063 0.1125 1
Trypanosoma cruzi DNA polymerase kappa, putative 0.0019 0.023 0.3838
Mycobacterium tuberculosis Probable fatty-acid-CoA ligase FadD35 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase) 0.0018 0.0217 0.1237
Loa Loa (eye worm) hypothetical protein 0.0026 0.0372 0.0424
Schistosoma mansoni scm-relatedprotein containing 4 mbt domains (sfmbt) 0.0052 0.0905 0.1295
Toxoplasma gondii pyruvate dehydrogenase complex subunit PDH-E3II 0.0013 0.0107 0.0949
Entamoeba histolytica hypothetical protein 0.0224 0.4409 1
Brugia malayi Nuclear hormone receptor family member nhr-25 0.0011 0.007 0.008
Giardia lamblia Histone acetyltransferase GCN5 0.0038 0.0624 1
Trypanosoma cruzi DNA polymerase kappa, putative 0.0019 0.023 0.3838
Schistosoma mansoni ran 0.0022 0.0292 0.0418
Leishmania major DNA polymerase kappa, putative 0.0019 0.023 0.3838
Echinococcus granulosus retinoic acid receptor rxr beta a 0.0011 0.007 0.01
Entamoeba histolytica acyl-CoA synthetase, putative 0.0026 0.0372 0.0844
Loa Loa (eye worm) MBCTL1 0.0059 0.1052 0.1199
Brugia malayi hypothetical protein 0.0224 0.4409 0.5028
Entamoeba histolytica deoxycytidyl transferase, putative 0.0019 0.023 0.0522
Echinococcus multilocularis diuretic hormone 44 receptor GPRdih2 0.0019 0.0233 0.0333
Plasmodium falciparum thioredoxin reductase 0.0013 0.0107 0.1709
Loa Loa (eye worm) nuclear hormone receptor family member nhr-41 0.0011 0.007 0.008
Loa Loa (eye worm) hypothetical protein 0.0059 0.1052 0.1199
Echinococcus granulosus dihydrolipoamide dehydrogenase 0.0013 0.0107 0.0153
Loa Loa (eye worm) mbt repeat family protein 0.0052 0.0905 0.1032
Plasmodium vivax histone acetyltransferase GCN5, putative 0.0042 0.0695 0.6179
Echinococcus granulosus nuclear receptor 2DBD gamma 0.0011 0.007 0.01
Loa Loa (eye worm) hypothetical protein 0.006 0.1069 0.122
Loa Loa (eye worm) TAR-binding protein 0.0138 0.2645 0.3017
Brugia malayi Ligand-binding domain of nuclear hormone receptor family protein 0.0011 0.007 0.008
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.006 0.1069 0.122
Mycobacterium tuberculosis Probable NADH dehydrogenase Ndh 0.0085 0.1566 0.8908
Mycobacterium tuberculosis Probable fatty-acid-CoA ligase FadD3 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase) 0.0018 0.0217 0.1237
Brugia malayi Nuclear hormone receptor family member nhr-1 0.0011 0.007 0.008
Trypanosoma brucei dihydrolipoamide dehydrogenase 0.0013 0.0107 0.178
Onchocerca volvulus 0.0011 0.007 0.007
Echinococcus multilocularis FTZ F1 alpha 0.0011 0.007 0.01
Loa Loa (eye worm) hypothetical protein 0.0011 0.007 0.008
Echinococcus multilocularis GPCR, family 2 0.0019 0.0233 0.0333
Trypanosoma cruzi dihydrolipoyl dehydrogenase, putative 0.0013 0.0107 0.178
Echinococcus granulosus dna polymerase eta 0.0019 0.023 0.0329
Entamoeba histolytica hypothetical protein 0.0224 0.4409 1
Mycobacterium tuberculosis Probable nitrite reductase [NAD(P)H] large subunit [FAD flavoprotein] NirB 0.0085 0.1566 0.8908
Loa Loa (eye worm) nuclear hormone receptor family member nhr-14 0.0011 0.007 0.008
Brugia malayi nuclear hormone receptor 0.0011 0.007 0.008
Toxoplasma gondii HEAT repeat-containing protein 0.003 0.0452 0.4019
Plasmodium vivax acyl-CoA synthetase, putative 0.0019 0.0239 0.2123
Plasmodium vivax glutathione reductase, putative 0.0037 0.06 0.5329
Echinococcus multilocularis Nuclear hormone receptor family member nhr 41 0.0011 0.007 0.01
Mycobacterium ulcerans acyl-CoA synthetase 0.0026 0.0372 1
Echinococcus multilocularis suppression of tumorigenicity 18 protein 0.0059 0.1052 0.1505
Trypanosoma cruzi GTP-binding nuclear protein rtb2, putative 0.0022 0.0292 0.487
Echinococcus granulosus tar DNA binding protein 0.0138 0.2645 0.3786
Echinococcus multilocularis dihydrolipoamide dehydrogenase 0.0013 0.0107 0.0153
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0063 0.1125 0.161
Echinococcus granulosus terminal deoxycytidyl transferase rev1 0.0019 0.023 0.0329
Trichomonas vaginalis glutathione reductase, putative 0.0013 0.0107 0.0107
Brugia malayi Nuclear hormone receptor family member nhr-41 0.0011 0.007 0.008
Trypanosoma cruzi DNA polymerase kappa, putative 0.0019 0.023 0.3838
Echinococcus granulosus ecdysone induced protein 78C 0.0011 0.007 0.01
Schistosoma mansoni hypothetical protein 0.0351 0.6988 1
Loa Loa (eye worm) nuclear hormone receptor family member nhr-49 0.0011 0.007 0.008
Entamoeba histolytica acyl-coA synthetase, putative 0.0026 0.0372 0.0844
Trypanosoma brucei DNA polymerase kappa, putative 0.0019 0.023 0.3838
Leishmania major dihydrolipoamide dehydrogenase, putative 0.0013 0.0107 0.178
Leishmania major acetoin dehydrogenase e3 component-like protein 0.0013 0.0107 0.178
Echinococcus granulosus dna polymerase kappa 0.0019 0.023 0.0329
Leishmania major 2-oxoglutarate dehydrogenase, e3 component, lipoamidedehydrogenase-like protein 0.0013 0.0107 0.178
Trypanosoma cruzi dihydrolipoyl dehydrogenase, putative 0.0013 0.0107 0.178
Treponema pallidum NADH oxidase 0.0013 0.0107 0.5
Leishmania major importin beta-1 subunit, putative 0.0024 0.0337 0.5628
Loa Loa (eye worm) hypothetical protein 0.0011 0.007 0.008
Trypanosoma cruzi dihydrolipoamide dehydrogenase, putative 0.0013 0.0107 0.178
Mycobacterium tuberculosis NAD(P)H quinone reductase LpdA 0.0094 0.1758 1
Trichomonas vaginalis cat eye syndrome critical region protein 2, cscr2, putative 0.0042 0.0695 0.0695
Loa Loa (eye worm) hypothetical protein 0.0026 0.0372 0.0424
Brugia malayi RNA binding protein 0.0138 0.2645 0.3017
Schistosoma mansoni importin beta-1 0.003 0.0452 0.0647
Schistosoma mansoni photoreceptor-specific nuclear receptor related 0.0011 0.007 0.01
Trypanosoma cruzi DNA polymerase kappa, putative 0.0019 0.023 0.3838
Trypanosoma brucei DNA polymerase IV, putative 0.0019 0.023 0.3838
Plasmodium falciparum dihydrolipoyl dehydrogenase, mitochondrial 0.0013 0.0107 0.1709
Brugia malayi nuclear receptor NHR-88 0.0011 0.007 0.008
Echinococcus multilocularis histone lysine methyltransferase setb histone lysine methyltransferase eggless 0.0063 0.1125 0.161
Plasmodium vivax GTP-binding nuclear protein RAN/TC4, putative 0.0022 0.0292 0.2595
Mycobacterium tuberculosis Probable fatty-acid-CoA ligase FadD7 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase) 0.0018 0.0217 0.1237
Echinococcus multilocularis thyroid hormone receptor alpha 0.0011 0.007 0.01
Trypanosoma brucei unspecified product 0.0013 0.0111 0.1847
Leishmania major GTP-binding protein, putative 0.0022 0.0292 0.487
Echinococcus granulosus SAM and MBT domain containing protein 0.0052 0.0905 0.1295
Schistosoma mansoni FTZ-F1 nuclear receptor-like protein 0.0011 0.007 0.01
Schistosoma mansoni tar DNA-binding protein 0.0138 0.2645 0.3786
Schistosoma mansoni transcription factor LCR-F1 0.0224 0.4409 0.6309
Schistosoma mansoni terminal deoxycytidyl transferase 0.0019 0.023 0.0329
Loa Loa (eye worm) RNA binding protein 0.0138 0.2645 0.3017
Schistosoma mansoni nuclear receptor 2DBD-gamma 0.0011 0.007 0.01
Trypanosoma brucei DNA polymerase kappa, putative 0.0019 0.023 0.3838
Echinococcus multilocularis SAM and MBT domain containing protein 0.0052 0.0905 0.1295
Schistosoma mansoni hypothetical protein 0.0351 0.6988 1
Toxoplasma gondii histone lysine methyltransferase SET/SUV39 0.0063 0.1125 1
Echinococcus granulosus thioredoxin glutathione reductase 0.0038 0.061 0.0872
Echinococcus multilocularis histone acetyltransferase MYST2 0.0059 0.1052 0.1505
Mycobacterium tuberculosis Probable chain -fatty-acid-CoA ligase FadD13 (fatty-acyl-CoA synthetase) 0.0026 0.0372 0.2117
Echinococcus multilocularis dna polymerase kappa 0.0019 0.023 0.0329
Schistosoma mansoni retinoid-x-receptor (RXR) 0.0011 0.007 0.01
Echinococcus multilocularis snurportin 1 0.0319 0.6323 0.9049
Loa Loa (eye worm) hypothetical protein 0.0011 0.007 0.008
Echinococcus granulosus histone acetyltransferase MYST2 0.0059 0.1052 0.1505
Echinococcus granulosus GPCR family 2 0.0019 0.0233 0.0333
Echinococcus granulosus FTZ F1 nuclear receptor protein 0.0011 0.007 0.01
Loa Loa (eye worm) nuclear hormone receptor family member nhr-31 0.0011 0.007 0.008
Echinococcus granulosus endonuclease exonuclease phosphatase 0.0205 0.4021 0.5754
Schistosoma mansoni myelin transcription factor 1 myt1 0.0059 0.1052 0.1505
Schistosoma mansoni tar DNA-binding protein 0.0138 0.2645 0.3786
Loa Loa (eye worm) GTP-binding nuclear protein RAN/TC4 0.0022 0.0292 0.0333
Trypanosoma brucei unspecified product 0.0013 0.0111 0.1847
Schistosoma mansoni hypothetical protein 0.0041 0.0682 0.0976
Brugia malayi GTP-binding nuclear protein RAN/TC4 0.0022 0.0292 0.0333
Schistosoma mansoni hypothetical protein 0.0019 0.0233 0.0333
Schistosoma mansoni histone-lysine n-methyltransferase suv9 0.0063 0.1125 0.161
Mycobacterium tuberculosis Probable oxidoreductase 0.0094 0.1758 1
Plasmodium falciparum glutathione reductase 0.0013 0.0107 0.1709
Mycobacterium ulcerans fatty-acid-CoA ligase 0.0019 0.0239 0.6421
Echinococcus multilocularis nuclear receptor 2DBD gamma 0.0011 0.007 0.01
Mycobacterium ulcerans long-chain fatty-acid CoA ligase 0.0026 0.0372 1
Brugia malayi ecdysteroid receptor 0.0011 0.007 0.008
Leishmania major DNA polymerase kappa, putative,DNA polymerase IV, putative 0.0019 0.023 0.3838
Loa Loa (eye worm) nuclear Hormone Receptor family member 0.0011 0.007 0.008
Schistosoma mansoni tar DNA-binding protein 0.0138 0.2645 0.3786
Echinococcus granulosus 5'partial|histone lysine N methyltransferase SETDB2 0.0061 0.1078 0.1543
Wolbachia endosymbiont of Brugia malayi dihydrolipoamide dehydrogenase E3 component 0.0013 0.0107 0.5
Brugia malayi AMP-binding enzyme family protein 0.0026 0.0372 0.0424
Schistosoma mansoni sex comb on midleg homolog 0.0052 0.0905 0.1295
Onchocerca volvulus Polycomb protein Sfmbt homolog 0.0052 0.0905 0.0905
Trypanosoma brucei DNA polymerase kappa, putative 0.0013 0.0111 0.1847
Echinococcus multilocularis dna polymerase eta 0.0019 0.023 0.0329
Plasmodium vivax dihydrolipoyl dehydrogenase, apicoplast, putative 0.0013 0.0107 0.0949
Leishmania major dihydrolipoamide dehydrogenase, putative 0.0013 0.0107 0.178
Entamoeba histolytica acetyltransferase, GNAT family 0.0038 0.0624 0.1416
Loa Loa (eye worm) hypothetical protein 0.0063 0.1125 0.1283
Plasmodium falciparum GTP-binding nuclear protein RAN/TC4 0.0022 0.0292 0.4676
Brugia malayi latrophilin 2 splice variant baaae 0.0041 0.0682 0.0778
Brugia malayi AMP-binding enzyme family protein 0.0026 0.0372 0.0424
Loa Loa (eye worm) glutathione reductase 0.0037 0.06 0.0684
Mycobacterium ulcerans dihydrolipoamide dehydrogenase, LpdB 0.0013 0.0107 0.2868
Mycobacterium tuberculosis Putative ferredoxin reductase 0.0085 0.1566 0.8908
Mycobacterium tuberculosis Possible DNA-damage-inducible protein P DinP (DNA polymerase V) (pol IV 2) (DNA nucleotidyltransferase (DNA-directed)) 0.0019 0.023 0.1309
Trypanosoma brucei dihydrolipoamide dehydrogenase 0.0013 0.0107 0.178
Schistosoma mansoni nuclear hormone receptor 0.0011 0.007 0.01
Brugia malayi Nuclear hormone receptor family member nhr-25 0.0011 0.007 0.008
Echinococcus multilocularis Basic leucine zipper (bZIP) transcription 0.0224 0.4409 0.6309

Activities

Activity type Activity value Assay description Source Reference
Potency (functional) 12.5893 uM PubChem BioAssay. qHTS of GLP-1 Receptor Agonists. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 13.1154 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) = 31.6228 um PUBCHEM_BIOASSAY: qHTS Assay for Promiscuous and Specific Inhibitors of Cruzain (without detergent). (Class of assay: confirmatory) [Related pubchem assays: 2158 (Confirmation qHTS Assay for Inhibitors of Cruzain), 2249 (Probe Development Summary of Promiscuous Inhibitors (Artifacts) of Cruzain), 2161 (qHTS Assay for Inhibitors of Papain: Counterscreen for Cruzain Assay), 1478 (qHTS Assay for Promiscuous and Specific Inhibitors of Cruzain (with detergent))] ChEMBL. No reference
Potency (functional) 50.1187 uM PubChem BioAssay. qHTS Assay for Inhibitors of the Human Apurinic/apyrimidinic Endonuclease 1 (APE1). (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.
 
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External resources for this compound

Bibliographic References

No literature references available for this target.

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