Detailed information for compound 1329301

Basic information

Technical information
  • TDR Targets ID: 1329301
  • Name: 2-phenyl-N-(2-pyrrolidin-1-ylphenyl)acetamide
  • MW: 280.364 | Formula: C18H20N2O
  • H donors: 1 H acceptors: 1 LogP: 3.3 Rotable bonds: 5
    Rule of 5 violations (Lipinski): 1
  • SMILES: O=C(Nc1ccccc1N1CCCC1)Cc1ccccc1
  • InChi: 1S/C18H20N2O/c21-18(14-15-8-2-1-3-9-15)19-16-10-4-5-11-17(16)20-12-6-7-13-20/h1-5,8-11H,6-7,12-14H2,(H,19,21)
  • InChiKey: LVPBIJNAMHEKDK-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

  • 2-phenyl-N-(2-1-pyrrolidinylphenyl)acetamide
  • 2-phenyl-N-(2-pyrrolidin-1-ylphenyl)ethanamide
  • Oprea1_816609
  • ZINC00465467
  • 2-phenyl-N-[2-(1-pyrrolidinyl)phenyl]acetamide
  • MLS000662481
  • SMR000292251
  • T5327789

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Homo sapiens potassium voltage-gated channel, KQT-like subfamily, member 2 Starlite/ChEMBL References
Homo sapiens GNAS complex locus Starlite/ChEMBL No references
Homo sapiens glucosidase, alpha Starlite/ChEMBL No references
Homo sapiens pyruvate kinase, muscle Starlite/ChEMBL No references

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Loa Loa (eye worm) potassium voltage-gated channel subfamily Q member 5 Get druggable targets OG5_129255 All targets in OG5_129255
Mycobacterium leprae Probable pyruvate kinase PykA Get druggable targets OG5_126685 All targets in OG5_126685
Neospora caninum Pyruvate kinase (EC 2.7.1.40), related Get druggable targets OG5_126685 All targets in OG5_126685
Schistosoma mansoni pyruvate kinase Get druggable targets OG5_126685 All targets in OG5_126685
Schistosoma mansoni alpha-glucosidase Get druggable targets OG5_127055 All targets in OG5_127055
Leishmania mexicana pyruvate kinase Get druggable targets OG5_126685 All targets in OG5_126685
Echinococcus multilocularis potassium voltage gated channel subfamily KQT Get druggable targets OG5_129255 All targets in OG5_129255
Brugia malayi Pyruvate kinase, M2 isozyme Get druggable targets OG5_126685 All targets in OG5_126685
Cryptosporidium parvum pyruvate kinase Get druggable targets OG5_126685 All targets in OG5_126685
Giardia lamblia Pyruvate kinase Get druggable targets OG5_126685 All targets in OG5_126685
Echinococcus multilocularis lysosomal alpha glucosidase Get druggable targets OG5_127055 All targets in OG5_127055
Leishmania infantum pyruvate kinase Get druggable targets OG5_126685 All targets in OG5_126685
Candida albicans cell wall mannoprotein glycosyl hydrolase whose expression increases in presence of galatose Get druggable targets OG5_127055 All targets in OG5_127055
Echinococcus multilocularis potassium voltage gated channel subfamily KQT Get druggable targets OG5_129255 All targets in OG5_129255
Schistosoma mansoni voltage-gated potassium channel KCNQ Get druggable targets OG5_129255 All targets in OG5_129255
Echinococcus granulosus potassium channel KvQLT family member kqt 1 Get druggable targets OG5_129255 All targets in OG5_129255
Leishmania braziliensis pyruvate kinase Get druggable targets OG5_126685 All targets in OG5_126685
Mycobacterium tuberculosis Probable pyruvate kinase PykA Get druggable targets OG5_126685 All targets in OG5_126685
Plasmodium vivax pyruvate kinase, putative Get druggable targets OG5_126685 All targets in OG5_126685
Trypanosoma brucei gambiense pyruvate kinase 1, putative Get druggable targets OG5_126685 All targets in OG5_126685
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_126685 All targets in OG5_126685
Plasmodium falciparum pyruvate kinase Get druggable targets OG5_126685 All targets in OG5_126685
Schistosoma japonicum Pyruvate kinase isozyme R, putative Get druggable targets OG5_126685 All targets in OG5_126685
Plasmodium knowlesi pyruvate kinase, putative Get druggable targets OG5_126685 All targets in OG5_126685
Candida albicans hypothetical protein Get druggable targets OG5_127055 All targets in OG5_127055
Brugia malayi Pyruvate kinase, muscle isozyme Get druggable targets OG5_126685 All targets in OG5_126685
Echinococcus granulosus potassium voltage gated channel subfamily KQT Get druggable targets OG5_129255 All targets in OG5_129255
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) Get druggable targets OG5_131088 All targets in OG5_131088
Leishmania infantum pyruvate kinase Get druggable targets OG5_126685 All targets in OG5_126685
Candida albicans hypothetical protein Get druggable targets OG5_127055 All targets in OG5_127055
Chlamydia trachomatis pyruvate kinase Get druggable targets OG5_126685 All targets in OG5_126685
Candida albicans pyruvate kinase Get druggable targets OG5_126685 All targets in OG5_126685
Brugia malayi Glycosyl hydrolases family 31 protein Get druggable targets OG5_127055 All targets in OG5_127055
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_129255 All targets in OG5_129255
Schistosoma japonicum Lysosomal alpha-glucosidase precursor, putative Get druggable targets OG5_127055 All targets in OG5_127055
Brugia malayi Voltage-gated potassium channel, KCNQ (Kv7-like) alpha-subunit. C. elegans kqt-1 ortholog Get druggable targets OG5_129255 All targets in OG5_129255
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_129255 All targets in OG5_129255
Trichomonas vaginalis pyruvate kinase, putative Get druggable targets OG5_126685 All targets in OG5_126685
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) Get druggable targets OG5_131088 All targets in OG5_131088
Loa Loa (eye worm) pyruvate kinase Get druggable targets OG5_126685 All targets in OG5_126685
Loa Loa (eye worm) pyruvate kinase Get druggable targets OG5_126685 All targets in OG5_126685
Echinococcus granulosus guanine nucleotide binding protein Gs subunit Get druggable targets OG5_131088 All targets in OG5_131088
Echinococcus granulosus lysosomal alpha glucosidase Get druggable targets OG5_127055 All targets in OG5_127055
Loa Loa (eye worm) voltage-gated potassium channel Get druggable targets OG5_129255 All targets in OG5_129255
Echinococcus granulosus guanine nucleotide binding protein Gs subunit Get druggable targets OG5_131088 All targets in OG5_131088
Schistosoma japonicum ko:K05324 potassium voltage-gated channel, KQT-like subfamily, invertebrate, putative Get druggable targets OG5_129255 All targets in OG5_129255
Candida albicans cell wall mannoprotein glycosyl hydrolase whose expression increases in presence of galatose Get druggable targets OG5_127055 All targets in OG5_127055
Echinococcus multilocularis pyruvate kinase Get druggable targets OG5_126685 All targets in OG5_126685
Candida albicans pyruvate kinase Get druggable targets OG5_126685 All targets in OG5_126685
Cryptosporidium hominis pyruvate kinase Get druggable targets OG5_126685 All targets in OG5_126685
Trypanosoma brucei pyruvate kinase 1, putative Get druggable targets OG5_126685 All targets in OG5_126685
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) Get druggable targets OG5_131088 All targets in OG5_131088
Echinococcus multilocularis pyruvate kinase Get druggable targets OG5_126685 All targets in OG5_126685
Trypanosoma cruzi pyruvate kinase 2, putative Get druggable targets OG5_126685 All targets in OG5_126685
Loa Loa (eye worm) pyruvate kinase-PB Get druggable targets OG5_126685 All targets in OG5_126685
Onchocerca volvulus Pyruvate kinase homolog Get druggable targets OG5_126685 All targets in OG5_126685
Trypanosoma brucei pyruvate kinase 1 Get druggable targets OG5_126685 All targets in OG5_126685
Candida albicans closely related to C. albicans GCA1 cell wall mannoprotein glycosyl hydrolase Get druggable targets OG5_127055 All targets in OG5_127055
Onchocerca volvulus Pyruvate kinase homolog Get druggable targets OG5_126685 All targets in OG5_126685
Theileria parva pyruvate kinase, putative Get druggable targets OG5_126685 All targets in OG5_126685
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit Get druggable targets OG5_131088 All targets in OG5_131088
Leishmania braziliensis pyruvate kinase Get druggable targets OG5_126685 All targets in OG5_126685
Schistosoma japonicum ko:K04927 potassium voltage-gated channel, KQT-like subfamily, member 2, putative Get druggable targets OG5_129255 All targets in OG5_129255
Echinococcus granulosus pyruvate kinase Get druggable targets OG5_126685 All targets in OG5_126685
Babesia bovis pyruvate kinase, putative Get druggable targets OG5_126685 All targets in OG5_126685
Schistosoma mansoni alpha-glucosidase Get druggable targets OG5_127055 All targets in OG5_127055
Echinococcus granulosus pyruvate kinase Get druggable targets OG5_126685 All targets in OG5_126685
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_126685 All targets in OG5_126685
Leishmania braziliensis pyruvate kinase Get druggable targets OG5_126685 All targets in OG5_126685
Loa Loa (eye worm) GTP-binding regulatory protein Gs alpha-S chain Get druggable targets OG5_131088 All targets in OG5_131088
Leishmania donovani pyruvate kinase, putative Get druggable targets OG5_126685 All targets in OG5_126685
Loa Loa (eye worm) glycosyl hydrolase family 31 protein Get druggable targets OG5_127055 All targets in OG5_127055
Schistosoma japonicum ko:K01187 alpha-glucosidase [EC3.2.1.20], putative Get druggable targets OG5_127055 All targets in OG5_127055
Trypanosoma congolense pyruvate kinase 1, putative Get druggable targets OG5_126685 All targets in OG5_126685
Entamoeba histolytica pyruvate kinase, putative Get druggable targets OG5_126685 All targets in OG5_126685
Candida albicans closely related to C. albicans GCA1 cell wall mannoprotein glycosyl hydrolase Get druggable targets OG5_127055 All targets in OG5_127055
Brugia malayi GTP-binding regulatory protein Gs alpha-S chain, putative Get druggable targets OG5_131088 All targets in OG5_131088
Leishmania mexicana pyruvate kinase, putative Get druggable targets OG5_126685 All targets in OG5_126685
Echinococcus multilocularis pyruvate kinase Get druggable targets OG5_126685 All targets in OG5_126685
Trichomonas vaginalis pyruvate kinase, putative Get druggable targets OG5_126685 All targets in OG5_126685
Schistosoma mansoni pyruvate kinase Get druggable targets OG5_126685 All targets in OG5_126685
Schistosoma japonicum ko:K04632 guanine nucleotide binding protein (G protein), alpha stimulating, putative Get druggable targets OG5_131088 All targets in OG5_131088
Plasmodium yoelii pyruvate kinase Get druggable targets OG5_126685 All targets in OG5_126685
Leishmania major pyruvate kinase Get druggable targets OG5_126685 All targets in OG5_126685
Plasmodium berghei pyruvate kinase, putative Get druggable targets OG5_126685 All targets in OG5_126685
Toxoplasma gondii pyruvate kinase PyK1 Get druggable targets OG5_126685 All targets in OG5_126685
Trypanosoma cruzi pyruvate kinase 2, putative Get druggable targets OG5_126685 All targets in OG5_126685
Leishmania major pyruvate kinase Get druggable targets OG5_126685 All targets in OG5_126685
Onchocerca volvulus Get druggable targets OG5_127055 All targets in OG5_127055
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit Get druggable targets OG5_131088 All targets in OG5_131088
Onchocerca volvulus Pyruvate kinase homolog Get druggable targets OG5_126685 All targets in OG5_126685
Mycobacterium ulcerans pyruvate kinase Get druggable targets OG5_126685 All targets in OG5_126685
Schistosoma japonicum ko:K00873 pyruvate kinase [EC2.7.1.40], putative Get druggable targets OG5_126685 All targets in OG5_126685
Trypanosoma brucei gambiense pyruvate kinase 1, putative Get druggable targets OG5_126685 All targets in OG5_126685
Candida albicans hypothetical protein Get druggable targets OG5_127055 All targets in OG5_127055
Echinococcus multilocularis lysosomal alpha glucosidase Get druggable targets OG5_127055 All targets in OG5_127055
Loa Loa (eye worm) pyruvate kinase Get druggable targets OG5_126685 All targets in OG5_126685
By sequence similarity to non orthologous known druggable targets
Species Potential target Known druggable target Length Alignment span Identity
Echinococcus granulosus pyruvate kinase pyruvate kinase, muscle 605 aa 521 aa 34.9 %
Schistosoma mansoni GTP-binding protein alpha subunit gna GNAS complex locus 394 aa 450 aa 28.7 %
Obtained from network model

Ranking Plot

Putative Targets List

Species Potential target Raw Global Species
Echinococcus multilocularis nuclear receptor 2DBD gamma 0.0151 0.1472 0.3966
Toxoplasma gondii inositol(myo)-1(or 4)-monophosphatase 2, putative 0.0042 0.0057 0.4382
Loa Loa (eye worm) steroid hormone receptor 0.0811 1 1
Echinococcus multilocularis nuclear receptor nhr 48 0.0151 0.1472 0.3966
Schistosoma mansoni nuclear hormone receptor nor-1/nor-2 0.0321 0.3662 1
Loa Loa (eye worm) pyruvate kinase 0.004 0.0037 0.0005
Onchocerca volvulus Steroid hormone receptor family member cnr14 homolog 0.0321 0.3662 1
Trichomonas vaginalis neutral alpha-glucosidase ab precursor, putative 0.0044 0.0081 1
Echinococcus granulosus pyruvate kinase 0.004 0.0037 0.0006
Loa Loa (eye worm) hypothetical protein 0.0321 0.3662 0.3641
Loa Loa (eye worm) hypothetical protein 0.0151 0.1472 0.1444
Onchocerca volvulus 0.0151 0.1472 0.3958
Brugia malayi hypothetical protein 0.0151 0.1472 0.1444
Schistosoma mansoni nuclear receptor 0.0151 0.1472 0.3966
Loa Loa (eye worm) hypothetical protein 0.0151 0.1472 0.1444
Schistosoma mansoni inositol monophosphatase 0.0042 0.0057 0.0066
Echinococcus multilocularis Nuclear hormone receptor HR96 0.0151 0.1472 0.3966
Loa Loa (eye worm) hypothetical protein 0.0151 0.1472 0.1444
Echinococcus multilocularis pyruvate kinase 0.004 0.0037 0.0014
Echinococcus multilocularis ecdysone induced protein 78C 0.0321 0.3662 1
Trichomonas vaginalis alpha-glucosidase, putative 0.0044 0.0081 1
Echinococcus granulosus Transcription factor JmjC domain containing protein 0.0108 0.0912 0.1131
Echinococcus multilocularis nuclear receptor 2DBD gamma 0.0321 0.3662 1
Brugia malayi conserved hypotetical protein 0.0151 0.1472 0.1444
Trypanosoma cruzi hypothetical protein, conserved 0.0044 0.0081 1
Schistosoma mansoni thyroid hormone receptor 0.0321 0.3662 1
Schistosoma mansoni zinc finger protein 0.0151 0.1472 0.3966
Brugia malayi nuclear hormone receptor 0.0151 0.1472 0.1444
Brugia malayi nuclear receptor subfamily 1, group D, member 1, putative 0.0151 0.1472 0.1444
Brugia malayi Nuclear hormone receptor family member nhr-19 0.0321 0.3662 0.3641
Brugia malayi Inositol-1 0.0042 0.0057 0.0024
Loa Loa (eye worm) glycosyl hydrolase family 31 protein 0.0197 0.206 0.2034
Brugia malayi Nuclear hormone receptor family member nhr-25 0.0321 0.3662 0.3641
Loa Loa (eye worm) hypothetical protein 0.0151 0.1472 0.1444
Entamoeba histolytica glycosyl hydrolase, family 31 protein 0.0044 0.0081 1
Schistosoma mansoni nuclear hormone receptor 0.0151 0.1472 0.3966
Loa Loa (eye worm) hypothetical protein 0.0151 0.1472 0.1444
Brugia malayi GTP-binding regulatory protein Gs alpha-S chain, putative 0.0055 0.0231 0.0199
Echinococcus multilocularis nuclear receptor subfamily 4 group A 0.0151 0.1472 0.3966
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0055 0.0231 0.0546
Echinococcus multilocularis FTZ F1 alpha 0.0321 0.3662 1
Brugia malayi hypothetical protein 0.0169 0.1706 0.1679
Brugia malayi photoreceptor-specific nuclear receptor 0.0321 0.3662 0.3641
Mycobacterium leprae Probable pyruvate kinase PykA 0.004 0.0037 1
Trichomonas vaginalis sucrase-isomaltase, putative 0.0044 0.0081 1
Echinococcus multilocularis Nuclear hormone receptor HR96 0.0151 0.1472 0.3966
Trichomonas vaginalis alpha-glucosidase, putative 0.0044 0.0081 1
Loa Loa (eye worm) hypothetical protein 0.0321 0.3662 0.3641
Brugia malayi Nuclear hormone receptor family member nhr-49 0.0321 0.3662 0.3641
Echinococcus granulosus nuclear receptor 2DBD gamma 0.0151 0.1472 0.1851
Brugia malayi nuclear receptor NHR-67 0.0151 0.1472 0.1444
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0055 0.0231 0.0546
Brugia malayi Nuclear hormone receptor-like 1 0.0321 0.3662 0.3641
Echinococcus multilocularis Transcription factor, JmjC domain containing protein 0.0108 0.0912 0.2424
Echinococcus granulosus jumonji domain containing protein 0.0046 0.011 0.0099
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0055 0.0231 0.0546
Echinococcus granulosus Nuclear hormone receptor HR96 0.0151 0.1472 0.1851
Schistosoma mansoni nuclear hormone receptor 0.0321 0.3662 1
Brugia malayi Nuclear hormone receptor family member nhr-14 0.0321 0.3662 0.3641
Trypanosoma brucei glucosidase, putative 0.0044 0.0081 1
Loa Loa (eye worm) hypothetical protein 0.0321 0.3662 0.3641
Trichomonas vaginalis maltase-glucoamylase, putative 0.0044 0.0081 1
Loa Loa (eye worm) potassium voltage-gated channel subfamily Q member 5 0.0062 0.0325 0.0293
Schistosoma mansoni alpha glucosidase 0.0044 0.0081 0.0134
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0055 0.0231 0.0255
Schistosoma mansoni retinoid-x-receptor (RXR) 0.0321 0.3662 1
Echinococcus granulosus nuclear receptor subfamily 4 group A 0.0151 0.1472 0.1851
Brugia malayi Ligand-binding domain of nuclear hormone receptor family protein 0.0321 0.3662 0.3641
Brugia malayi nuclear receptor RXR 0.0169 0.1706 0.1679
Echinococcus multilocularis nuclear receptor subfamily 1 group D 0.0169 0.1706 0.4613
Brugia malayi Nuclear hormone receptor family member nhr-3 0.0321 0.3662 0.3641
Echinococcus multilocularis nuclear receptor 2DBD gamma 0.0321 0.3662 1
Echinococcus granulosus Nuclear hormone receptor HR96 0.0151 0.1472 0.1851
Schistosoma mansoni nuclear receptor nhr-48 0.0151 0.1472 0.3966
Brugia malayi nuclear receptor NHR-88 0.0151 0.1472 0.1444
Echinococcus granulosus nuclear receptor nhr 48 0.0151 0.1472 0.1851
Loa Loa (eye worm) jmjC domain-containing protein 0.0068 0.0397 0.0365
Trypanosoma cruzi hypothetical protein, conserved 0.0044 0.0081 1
Loa Loa (eye worm) hypothetical protein 0.0321 0.3662 0.3641
Loa Loa (eye worm) hypothetical protein 0.0151 0.1472 0.1444
Echinococcus multilocularis COUP TF:Svp nuclear hormone receptor 0.0321 0.3662 1
Echinococcus granulosus nuclear receptor 2DBD gamma 0.0321 0.3662 0.4666
Schistosoma mansoni RAR-like nuclear receptor 0.0321 0.3662 1
Onchocerca volvulus 0.0321 0.3662 1
Echinococcus granulosus nuclear receptor 2DBD gamma 0.0321 0.3662 0.4666
Trichomonas vaginalis myo inositol monophosphatase, putative 0.0042 0.0057 0.4382
Echinococcus granulosus pyruvate kinase 0.004 0.0037 0.0006
Brugia malayi Nuclear hormone receptor E75 0.0151 0.1472 0.1444
Schistosoma mansoni alpha-glucosidase 0.0169 0.1706 0.461
Schistosoma mansoni pyruvate kinase 0.004 0.0037 0.0014
Echinococcus granulosus neutral alpha glucosidase AB 0.0044 0.0081 0.0062
Echinococcus multilocularis potassium voltage gated channel subfamily KQT 0.0139 0.1312 0.3527
Echinococcus multilocularis potassium voltage gated channel subfamily KQT 0.0062 0.0325 0.0805
Leishmania major alpha glucosidase II subunit, putative 0.0044 0.0081 1
Echinococcus multilocularis thyroid hormone receptor alpha 0.0321 0.3662 1
Loa Loa (eye worm) nuclear receptor nhr-7B 0.0151 0.1472 0.1444
Schistosoma mansoni alpha-glucosidase 0.0169 0.1706 0.461
Loa Loa (eye worm) hypothetical protein 0.0151 0.1472 0.1444
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0055 0.0231 0.0255
Brugia malayi Voltage-gated potassium channel, KCNQ (Kv7-like) alpha-subunit. C. elegans kqt-1 ortholog 0.0139 0.1312 0.1284
Schistosoma mansoni coup transcription factor 0.0321 0.3662 1
Loa Loa (eye worm) glycosyl hydrolase family 31 protein 0.0044 0.0081 0.0049
Trichomonas vaginalis neutral alpha-glucosidase ab precursor, putative 0.0044 0.0081 1
Brugia malayi nuclear hormone receptor family member nhr-6 0.0151 0.1472 0.1444
Echinococcus granulosus lysosomal alpha glucosidase 0.0197 0.206 0.2606
Echinococcus granulosus FTZ F1 alpha 0.0321 0.3662 0.4666
Brugia malayi Pyruvate kinase, muscle isozyme 0.004 0.0037 0.0005
Loa Loa (eye worm) hypothetical protein 0.0169 0.1706 0.1679
Brugia malayi ecdysteroid receptor 0.0321 0.3662 0.3641
Trypanosoma cruzi myo-inositol-1(or 4)-monophosphatase 1, putative 0.0042 0.0057 0.4382
Chlamydia trachomatis pyruvate kinase 0.004 0.0037 0.5
Loa Loa (eye worm) hypothetical protein 0.0321 0.3662 0.3641
Schistosoma mansoni jumonji domain containing protein 0.0086 0.0625 0.1634
Loa Loa (eye worm) pyruvate kinase 0.004 0.0037 0.0005
Schistosoma mansoni nuclear receptor 2DBD-gamma 0.0321 0.3662 1
Trichomonas vaginalis alpha-glucosidase, putative 0.0044 0.0081 1
Schistosoma mansoni photoreceptor-specific nuclear receptor related 0.0321 0.3662 1
Entamoeba histolytica glycosyl hydrolase, family 31 protein 0.0044 0.0081 1
Echinococcus multilocularis lysosomal alpha glucosidase 0.0197 0.206 0.5586
Loa Loa (eye worm) hypothetical protein 0.0062 0.0325 0.0293
Echinococcus multilocularis retinoic acid receptor rxr beta a retinoic acid receptor rxr alpha a retinoic acid receptor rxr alpha 0.0151 0.1472 0.3966
Echinococcus granulosus retinoic acid receptor rxr beta a 0.0321 0.3662 0.4666
Loa Loa (eye worm) nuclear hormone receptor family member nhr-41 0.0321 0.3662 0.3641
Schistosoma mansoni voltage-gated potassium channel KCNQ 0.0139 0.1312 0.3527
Loa Loa (eye worm) nuclear hormone receptor-like 1 0.0169 0.1706 0.1679
Onchocerca volvulus Nuclear receptor subfamily 6 group A member 1 homolog 0.0151 0.1472 0.3958
Brugia malayi Steroid receptor seven-up type 2 0.0321 0.3662 0.3641
Wolbachia endosymbiont of Brugia malayi fructose-1,6-bisphosphatase 0.0042 0.0057 0.5
Loa Loa (eye worm) GTP-binding regulatory protein Gs alpha-S chain 0.0055 0.0231 0.0199
Brugia malayi Nuclear hormone receptor family member nhr-1 0.0321 0.3662 0.3641
Loa Loa (eye worm) DR-78 0.0151 0.1472 0.1444
Echinococcus multilocularis hepatocyte nuclear factor 4 alpha 0.0321 0.3662 1
Schistosoma mansoni nuclear hormone receptor superfamily protein-related 0.0151 0.1472 0.3966
Loa Loa (eye worm) hypothetical protein 0.0169 0.1706 0.1679
Loa Loa (eye worm) hypothetical protein 0.0151 0.1472 0.1444
Mycobacterium tuberculosis Probable pyruvate kinase PykA 0.004 0.0037 1
Echinococcus multilocularis Nuclear hormone receptor family member nhr 41 0.0321 0.3662 1
Loa Loa (eye worm) hypothetical protein 0.0062 0.0325 0.0293
Brugia malayi nuclear hormone receptor family member odr-7 0.0151 0.1472 0.1444
Brugia malayi Nuclear hormone receptor family member nhr-41 0.0321 0.3662 0.3641
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0055 0.0231 0.0546
Echinococcus granulosus nuclear receptor subfamily 1 group D 0.0169 0.1706 0.2152
Loa Loa (eye worm) nuclear hormone receptor 0.0151 0.1472 0.1444
Echinococcus multilocularis jumonji domain containing protein 0.0046 0.011 0.0213
Loa Loa (eye worm) nuclear receptor NHR-67 0.0151 0.1472 0.1444
Mycobacterium ulcerans extragenic suppressor protein SuhB 0.0042 0.0057 1
Brugia malayi hypothetical protein 0.0151 0.1472 0.1444
Schistosoma mansoni hepatocyte nuclear factor 4-alpha (hnf-4-alpha) 0.0151 0.1472 0.3966
Loa Loa (eye worm) hypothetical protein 0.004 0.0037 0.0005
Loa Loa (eye worm) hypothetical protein 0.0151 0.1472 0.1444
Brugia malayi hypothetical protein 0.0169 0.1706 0.1679
Trichomonas vaginalis alpha-glucosidase, putative 0.0044 0.0081 1
Toxoplasma gondii glycosyl hydrolase, family 31 protein 0.0044 0.0081 1
Brugia malayi tailless protein 0.0151 0.1472 0.1444
Echinococcus granulosus ecdysone induced protein 78C 0.0321 0.3662 0.4666
Schistosoma mansoni retinoid-x-receptor (RXR) 0.0169 0.1706 0.4613
Echinococcus multilocularis FTZ F1 nuclear receptor protein 0.0321 0.3662 1
Onchocerca volvulus 0.0114 0.0988 0.2622
Echinococcus granulosus potassium channel KvQLT family member kqt 1 0.0139 0.1312 0.1646
Loa Loa (eye worm) hypothetical protein 0.0151 0.1472 0.1444
Leishmania major myo-inositol-1(or 4)-monophosphatase 1, putative 0.0042 0.0057 0.4382
Loa Loa (eye worm) nuclear hormone receptor family member nhr-40 0.0321 0.3662 0.3641
Echinococcus granulosus hepatocyte nuclear factor 4 alpha 0.0321 0.3662 0.4666
Loa Loa (eye worm) nuclear hormone receptor family member nhr-49 0.0321 0.3662 0.3641
Brugia malayi Pyruvate kinase, M2 isozyme 0.004 0.0037 0.0005
Loa Loa (eye worm) hypothetical protein 0.0321 0.3662 0.3641
Brugia malayi Nuclear hormone receptor-like 1 0.0169 0.1706 0.1679
Echinococcus multilocularis lysosomal alpha glucosidase 0.0197 0.206 0.5586
Loa Loa (eye worm) hypothetical protein 0.0169 0.1706 0.1679
Brugia malayi ecdysone receptor 0.0151 0.1472 0.1444
Loa Loa (eye worm) nuclear hormone receptor family member nhr-14 0.0321 0.3662 0.3641
Plasmodium vivax pyruvate kinase, putative 0.004 0.0037 0.5
Brugia malayi nuclear receptor NHR-88 0.0321 0.3662 0.3641
Loa Loa (eye worm) hypothetical protein 0.0151 0.1472 0.1444
Brugia malayi Nuclear hormone receptor family member nhr-25 0.0321 0.3662 0.3641
Loa Loa (eye worm) hypothetical protein 0.0321 0.3662 0.3641
Giardia lamblia Pyruvate kinase 0.004 0.0037 0.5
Brugia malayi Nuclear hormone receptor family member nhr-19 0.0321 0.3662 0.3641
Onchocerca volvulus Protein ultraspiracle homolog 0.0321 0.3662 1
Trichomonas vaginalis inositol monophosphatase, putative 0.0042 0.0057 0.4382
Brugia malayi nuclear hormone receptor 0.0321 0.3662 0.3641
Echinococcus multilocularis neutral alpha glucosidase AB 0.0044 0.0081 0.0134
Echinococcus granulosus Nuclear hormone receptor family member nhr 41 0.0321 0.3662 0.4666
Brugia malayi Glycosyl hydrolases family 31 protein 0.0197 0.206 0.2034
Loa Loa (eye worm) hypothetical protein 0.0151 0.1472 0.1444
Loa Loa (eye worm) hypothetical protein 0.0169 0.1706 0.1679
Schistosoma mansoni retinoic acid receptor RXR 0.0321 0.3662 1
Onchocerca volvulus Nuclear receptor subfamily 6 group A member 1 homolog 0.0151 0.1472 0.3958
Brugia malayi Nuclear hormone receptor E75 0.0151 0.1472 0.1444
Trypanosoma brucei inositol-1(or 4)-monophosphatase 1, putative 0.0042 0.0057 0.4382
Echinococcus granulosus COUP TF:Svp nuclear hormone receptor 0.0321 0.3662 0.4666
Brugia malayi jmjC domain containing protein 0.0108 0.0912 0.0883
Schistosoma mansoni pyruvate kinase 0.004 0.0037 0.0014
Loa Loa (eye worm) pyruvate kinase 0.004 0.0037 0.0005
Onchocerca volvulus Bile acid receptor homolog 0.0321 0.3662 1
Loa Loa (eye worm) voltage-gated potassium channel 0.0137 0.1282 0.1254
Loa Loa (eye worm) hypothetical protein 0.0151 0.1472 0.1444
Loa Loa (eye worm) nuclear hormone receptor family member nhr-31 0.0321 0.3662 0.3641
Schistosoma mansoni inositol monophosphatase 0.0042 0.0057 0.0066
Loa Loa (eye worm) inositol-1 0.0042 0.0057 0.0024
Loa Loa (eye worm) hypothetical protein 0.0057 0.0247 0.0215
Echinococcus multilocularis pyruvate kinase 0.004 0.0037 0.0014
Loa Loa (eye worm) nuclear Hormone Receptor family member 0.0321 0.3662 0.3641
Schistosoma mansoni thyroid hormone receptor 0.0321 0.3662 1
Trypanosoma cruzi myo-inositol-1(or 4)-monophosphatase 1, putative 0.0042 0.0057 0.4382
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0055 0.0231 0.0546
Schistosoma mansoni FTZ-F1 nuclear receptor-like protein 0.0321 0.3662 1
Schistosoma mansoni ecdysone-induced protein 78c (dr-78) 0.0169 0.1706 0.4613
Loa Loa (eye worm) hypothetical protein 0.0169 0.1706 0.1679
Brugia malayi Nuclear hormone receptor family member nhr-31 0.0321 0.3662 0.3641
Schistosoma mansoni nuclear hormone receptor 0.0151 0.1472 0.3966
Loa Loa (eye worm) nuclear hormone receptor family member nhr-1 0.0321 0.3662 0.3641
Brugia malayi orphan nuclear receptor NR2E1 0.0151 0.1472 0.1444
Echinococcus multilocularis inositol monophosphatase 1 0.0042 0.0057 0.0066
Trichomonas vaginalis alpha-glucosidase, putative 0.0044 0.0081 1
Schistosoma mansoni steroid hormone receptor ad4bp 0.0321 0.3662 1
Onchocerca volvulus 0.0151 0.1472 0.3958
Brugia malayi Glycosyl hydrolases family 31 protein 0.0044 0.0081 0.0049
Brugia malayi nuclear receptor RXR 0.0151 0.1472 0.1444
Plasmodium falciparum pyruvate kinase 0.004 0.0037 0.5
Echinococcus granulosus thyroid hormone receptor alpha 0.0642 0.781 1
Brugia malayi Nuclear hormone receptor family member nhr-40 0.0321 0.3662 0.3641
Echinococcus granulosus inositol monophosphatase 1 0.0042 0.0057 0.0031
Schistosoma mansoni nuclear receptor 0.0151 0.1472 0.3966
Loa Loa (eye worm) hypothetical protein 0.0321 0.3662 0.3641
Trichomonas vaginalis myo inositol monophosphatase, putative 0.0042 0.0057 0.4382
Brugia malayi Nuclear hormone receptor-like 1 0.0169 0.1706 0.1679
Echinococcus granulosus potassium voltage gated channel subfamily KQT 0.0062 0.0325 0.0376
Brugia malayi Ligand-binding domain of nuclear hormone receptor family protein 0.0321 0.3662 0.3641
Echinococcus granulosus FTZ F1 nuclear receptor protein 0.0321 0.3662 0.4666
Schistosoma mansoni Tr4/Tr2 (homologue) 0.0321 0.3662 1

Activities

Activity type Activity value Assay description Source Reference
EC50 (functional) = 0.743 uM Agonist activity at KCNQ2 expressed in CHO cells incubated for 3 mins by automated patch clamp assay ChEMBL. 22793372
Potency (functional) 0.7943 uM PubChem BioAssay. qHTS for Agonist of gsp, the Etiologic Mutation Responsible for Fibrous Dysplasia/McCune-Albright Syndrome: qHTS. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) = 3.9811 um PUBCHEM_BIOASSAY: qHTS Assay for Activators of Human Muscle isoform 2 Pyruvate Kinase. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) = 3.9811 um PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of Human Muscle isoform 2 Pyruvate Kinase. (Class of assay: confirmatory) [Related pubchem assays: 1379 ] 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) = 17.7828 um PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors and Activators of Human alpha-Glucosidase Cleavage of Glycogen. (Class of assay: confirmatory) [Related pubchem assays: 1473, 1466 ] ChEMBL. No reference
Potency (functional) 22.3872 uM PubChem BioAssay. qHTS of GLP-1 Receptor Inverse Agonists (Inhibition Mode). (Class of assay: confirmatory) ChEMBL. No reference
Potency (binding) = 25.1189 um PUBCHEM_BIOASSAY: qHTS Assay for Identification of Novel General Anesthetics. In this assay, a GABAergic mimetic model system, apoferritin and a profluorescent 1-aminoanthracene ligand (1-AMA), was used to construct a competitive binding assay for identification of novel general anesthetics (Class of assay: confirmatory) [Related pubchem assays: 2385 (Probe Development Summary for Identification of Novel General Anesthetics), 2323 (Validation apoferritin assay run on SigmaAldrich LOPAC1280 collection)] ChEMBL. No reference
Potency (functional) 31.6228 uM PubChem BioAssay. qHTS for Inhibitors of Glutaminase (GLS). (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 56.2341 uM PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of Histone Lysine Methyltransferase G9a. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID504404] ChEMBL. No reference
Potency (functional) = 79.4328 um PUBCHEM_BIOASSAY: qHTS Fluorescence Polarization Assay for Inhibitors of MLL CXXC domain - DNA interaction. (Class of assay: confirmatory) [Related pubchem assays: 2698 (Summary assay.)] 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

1 literature reference was collected for this gene.

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