Detailed information for compound 1424170

Basic information

Technical information
  • TDR Targets ID: 1424170
  • Name: 6,7-dimethoxy-3-[4-oxo-4-(4-phenyl-3,6-dihydr o-2H-pyridin-1-yl)butyl]-1H-quinazoline-2,4-d ione
  • MW: 449.499 | Formula: C25H27N3O5
  • H donors: 1 H acceptors: 3 LogP: 2.23 Rotable bonds: 8
    Rule of 5 violations (Lipinski): 1
  • SMILES: COc1cc2[nH]c(=O)n(c(=O)c2cc1OC)CCCC(=O)N1CCC(=CC1)c1ccccc1
  • InChi: 1S/C25H27N3O5/c1-32-21-15-19-20(16-22(21)33-2)26-25(31)28(24(19)30)12-6-9-23(29)27-13-10-18(11-14-27)17-7-4-3-5-8-17/h3-5,7-8,10,15-16H,6,9,11-14H2,1-2H3,(H,26,31)
  • InChiKey: ZQIHDLBVYOSJPI-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

  • 3-[4-keto-4-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)butyl]-6,7-dimethoxy-1H-quinazoline-2,4-quinone
  • 6,7-dimethoxy-3-[4-oxo-4-(4-phenyl-3,6-dihydropyridin-1(2H)-yl)butyl]quinazoline-2,4(1H,3H)-dione
  • MLS000086812
  • SMR000022840
  • MLS000876585

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Homo sapiens thyroid stimulating hormone receptor Starlite/ChEMBL No references
Homo sapiens SMAD family member 2 Starlite/ChEMBL No references
Homo sapiens ubiquitin specific peptidase 2 Starlite/ChEMBL No references
Homo sapiens huntingtin Starlite/ChEMBL No references

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Brugia malayi Ubiquitin carboxyl-terminal hydrolase family protein Get druggable targets OG5_127431 All targets in OG5_127431
Entamoeba histolytica ubiquitin carboxyl-terminal hydrolase domain containing protein Get druggable targets OG5_127431 All targets in OG5_127431
Trypanosoma cruzi ubiquitin carboxyl-terminal hydrolase, putative Get druggable targets OG5_127431 All targets in OG5_127431
Brugia malayi MH2 domain containing protein Get druggable targets OG5_131716 All targets in OG5_131716
Echinococcus granulosus ubiquitin carboxyl terminal hydrolase 8 Get druggable targets OG5_127431 All targets in OG5_127431
Cryptosporidium hominis ubiquitin specific protease 66 Get druggable targets OG5_127431 All targets in OG5_127431
Schistosoma japonicum expressed protein Get druggable targets OG5_127431 All targets in OG5_127431
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_132837 All targets in OG5_132837
Loa Loa (eye worm) follicle stimulating hormone receptor Get druggable targets OG5_130089 All targets in OG5_130089
Trypanosoma cruzi ubiquitin carboxyl-terminal hydrolase, putative Get druggable targets OG5_127431 All targets in OG5_127431
Cryptosporidium parvum ubiquitin C-terminal hydrolase of the cysteine proteinase fold Get druggable targets OG5_127431 All targets in OG5_127431
Loa Loa (eye worm) MH2 domain-containing protein Get druggable targets OG5_131716 All targets in OG5_131716
Echinococcus multilocularis ubiquitin carboxyl terminal hydrolase 8 Get druggable targets OG5_127431 All targets in OG5_127431
Onchocerca volvulus Huntingtin homolog Get druggable targets OG5_132837 All targets in OG5_132837
Trypanosoma congolense ubiquitin carboxyl-terminal hydrolase, putative Get druggable targets OG5_127431 All targets in OG5_127431
Onchocerca volvulus Huntingtin homolog Get druggable targets OG5_132837 All targets in OG5_132837
Leishmania donovani ubiquitin carboxyl-terminal hydrolase, putative Get druggable targets OG5_127431 All targets in OG5_127431
Schistosoma japonicum IPR001394,Peptidase C19, ubiquitin carboxyl-terminal hydrolase 2,domain-containing Get druggable targets OG5_127431 All targets in OG5_127431
Echinococcus granulosus ubiquitin specific protease 41 Get druggable targets OG5_127431 All targets in OG5_127431
Schistosoma japonicum Ubiquitin carboxyl-terminal hydrolase 8, putative Get druggable targets OG5_127431 All targets in OG5_127431
Giardia lamblia Ubiquitin carboxyl-terminal hydrolase 4 Get druggable targets OG5_127431 All targets in OG5_127431
Schistosoma japonicum hypothetical protein Get druggable targets OG5_127431 All targets in OG5_127431
Trypanosoma brucei gambiense ubiquitin carboxyl-terminal hydrolase, putative,cysteine peptidase, Clan CA, family C19, putative Get druggable targets OG5_127431 All targets in OG5_127431
Schistosoma japonicum Ubiquitin carboxyl-terminal hydrolase 8, putative Get druggable targets OG5_127431 All targets in OG5_127431
Echinococcus multilocularis Peptidase C19, ubiquitin carboxyl terminal hydrolase 2 Get druggable targets OG5_127431 All targets in OG5_127431
Schistosoma mansoni ubiquitin-specific peptidase 2 (C19 family) Get druggable targets OG5_127431 All targets in OG5_127431
Leishmania infantum ubiquitin hydrolase, putative,cysteine peptidase, Clan CA, family C19, putative Get druggable targets OG5_127431 All targets in OG5_127431
Candida albicans ubiquitin-specific protease Get druggable targets OG5_127431 All targets in OG5_127431
Trichomonas vaginalis conserved hypothetical protein Get druggable targets OG5_127431 All targets in OG5_127431
Schistosoma japonicum ko:K01072 ubiquitin thiolesterase [EC3.1.2.15], putative Get druggable targets OG5_127431 All targets in OG5_127431
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_132837 All targets in OG5_132837
Leishmania mexicana ubiquitin hydrolase, putative,cysteine peptidase, Clan CA, family C19, putative Get druggable targets OG5_127431 All targets in OG5_127431
Loa Loa (eye worm) transcription factor SMAD2 Get druggable targets OG5_131716 All targets in OG5_131716
Brugia malayi follicle stimulating hormone receptor Get druggable targets OG5_130089 All targets in OG5_130089
Trichomonas vaginalis Clan CA, family C19, ubiquitin hydrolase-like cysteine peptidase Get druggable targets OG5_127431 All targets in OG5_127431
Leishmania major ubiquitin hydrolase, putative,cysteine peptidase, Clan CA, family C19, putative Get druggable targets OG5_127431 All targets in OG5_127431
Echinococcus granulosus Peptidase C19 ubiquitin carboxyl terminal hydrolase 2 Get druggable targets OG5_127431 All targets in OG5_127431
Brugia malayi hypothetical protein Get druggable targets OG5_132837 All targets in OG5_132837
Schistosoma mansoni ubiquitin-specific peptidase 8 (C19 family) Get druggable targets OG5_127431 All targets in OG5_127431
Trichomonas vaginalis Clan CA, family C19, ubiquitin hydrolase-like cysteine peptidase Get druggable targets OG5_127431 All targets in OG5_127431
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_127431 All targets in OG5_127431
Trypanosoma brucei ubiquitin carboxyl-terminal hydrolase, putative Get druggable targets OG5_127431 All targets in OG5_127431
Echinococcus multilocularis ubiquitin specific protease 41 Get druggable targets OG5_127431 All targets in OG5_127431
Leishmania braziliensis ubiquitin hydrolase, putative,cysteine peptidase, Clan CA, family C19, putative Get druggable targets OG5_127431 All targets in OG5_127431
Schistosoma japonicum IPR015063,Domain of unknown function DUF1873,domain-containing Get druggable targets OG5_127431 All targets in OG5_127431
By sequence similarity to non orthologous known druggable targets
Species Potential target Known druggable target Length Alignment span Identity
Plasmodium falciparum ubiquitin specific protease, putative ubiquitin specific peptidase 2 362 aa 378 aa 25.7 %
Brugia malayi MH2 domain containing protein SMAD family member 2 467 aa 405 aa 31.6 %
Obtained from network model

Ranking Plot

Putative Targets List

Species Potential target Raw Global Species
Schistosoma mansoni photoreceptor-specific nuclear receptor related 0.0528 0.0846 0.0887
Onchocerca volvulus Nuclear receptor subfamily 6 group A member 1 homolog 0.0249 0.0391 0.2659
Schistosoma mansoni phosphatidylinositol-4-phosphate 5-kinase type II 0.035 0.0556 0.0582
Echinococcus multilocularis Nuclear hormone receptor HR96 0.0249 0.0391 0.0391
Trypanosoma brucei phosphatidylinositol phosphate kinase alpha 0.0028 0.003 0.0228
Schistosoma mansoni thyroid hormone receptor 0.0528 0.0846 0.0887
Schistosoma mansoni nuclear hormone receptor 0.0249 0.0391 0.0409
Echinococcus granulosus cadherin EGF LAG seven pass G type receptor 0.0083 0.012 0.012
Trypanosoma cruzi phosphatidylinositol (3,5) kinase, putative 0.0028 0.003 0.0228
Loa Loa (eye worm) hypothetical protein 0.0528 0.0846 0.0846
Echinococcus granulosus serine:threonine protein kinase PLK1 0.0512 0.082 0.082
Brugia malayi Nuclear hormone receptor-like 1 0.0279 0.044 0.044
Onchocerca volvulus Nuclear receptor subfamily 6 group A member 1 homolog 0.0249 0.0391 0.2659
Echinococcus multilocularis phosphatidylinositol 5 phosphate 4 kinase type 2 0.035 0.0556 0.0556
Schistosoma mansoni phosphatidylinositol-4-phosphate 5-kinase type II 0.0028 0.003 0.0031
Trypanosoma cruzi phosphatidylinositol-4-phosphate 5-kinase, putative 0.0028 0.003 0.0228
Schistosoma mansoni ubiquitin-specific peptidase 2 (C19 family) 0.0045 0.0057 0.006
Loa Loa (eye worm) transcription factor SMAD2 0.0144 0.022 0.022
Echinococcus granulosus nuclear receptor subfamily 4 group A 0.0249 0.0391 0.0391
Loa Loa (eye worm) hypothetical protein 0.0528 0.0846 0.0846
Mycobacterium tuberculosis Probable ATP-dependent CLP protease proteolytic subunit 2 ClpP2 (endopeptidase CLP 2) 0.0333 0.0529 1
Echinococcus granulosus phosphatidylinositol 5 phosphate 4 kinase type 2 0.035 0.0556 0.0556
Loa Loa (eye worm) nuclear hormone receptor-like 1 0.0279 0.044 0.044
Schistosoma mansoni retinoid-x-receptor (RXR) 0.0528 0.0846 0.0887
Loa Loa (eye worm) steroid hormone receptor 0.0528 0.0846 0.0846
Trichomonas vaginalis Clan CA, family C19, ubiquitin hydrolase-like cysteine peptidase 0.0045 0.0057 0.0343
Trichomonas vaginalis Clan CA, family C19, ubiquitin hydrolase-like cysteine peptidase 0.0045 0.0057 0.0343
Loa Loa (eye worm) hypothetical protein 0.02 0.031 0.031
Loa Loa (eye worm) nuclear hormone receptor family member nhr-49 0.6129 1 1
Echinococcus granulosus peptidase Clp S14 family 0.0333 0.0529 0.0529
Leishmania major phosphatidylinositol (3,5) kinase, putative 0.0028 0.003 0.0228
Loa Loa (eye worm) pigment dispersing factor receptor c 0.0263 0.0414 0.0414
Echinococcus multilocularis NADP dependent isocitrate dehydrogenase 0.0017 0.0011 0.0011
Entamoeba histolytica ubiquitin carboxyl-terminal hydrolase domain containing protein 0.0045 0.0057 0.0343
Loa Loa (eye worm) pip kinase 2 0.035 0.0556 0.0556
Loa Loa (eye worm) hypothetical protein 0.0249 0.0391 0.0391
Brugia malayi Nuclear hormone receptor-like 1 0.0279 0.044 0.044
Echinococcus multilocularis NADP dependent isocitrate dehydrogenase 0.0017 0.0011 0.0011
Trypanosoma cruzi polo-like protein kinase, putative 0.0512 0.082 1
Brugia malayi Latrophilin receptor protein 2 0.0083 0.012 0.012
Loa Loa (eye worm) nuclear Hormone Receptor family member 0.0528 0.0846 0.0846
Echinococcus granulosus thyroid hormone receptor alpha 0.0249 0.0391 0.0391
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.0263 0.0414 0.0414
Echinococcus multilocularis ecdysone induced protein 78C 0.0528 0.0846 0.0846
Brugia malayi N-terminal motif family protein 0.02 0.031 0.031
Loa Loa (eye worm) nuclear hormone receptor family member nhr-41 0.0528 0.0846 0.0846
Brugia malayi tailless protein 0.0249 0.0391 0.0391
Loa Loa (eye worm) hypothetical protein 0.0249 0.0391 0.0391
Schistosoma mansoni serine/threonine protein kinase 0.0512 0.082 0.0859
Schistosoma mansoni nuclear receptor 0.0249 0.0391 0.0409
Schistosoma mansoni nuclear receptor 2DBD-gamma 0.0528 0.0846 0.0887
Brugia malayi Nuclear hormone receptor family member nhr-19 0.0528 0.0846 0.0846
Brugia malayi nuclear receptor NHR-67 0.0249 0.0391 0.0391
Schistosoma mansoni hypothetical protein 0.0083 0.012 0.0126
Loa Loa (eye worm) hypothetical protein 0.0528 0.0846 0.0846
Brugia malayi orphan nuclear receptor NR2E1 0.0249 0.0391 0.0391
Loa Loa (eye worm) hypothetical protein 0.0249 0.0391 0.0391
Leishmania major phosphatidylinositol-4-phosphate 5-kinase-like protein 0.0028 0.003 0.0228
Brugia malayi isocitrate dehydrogenase 0.0017 0.0011 0.0011
Treponema pallidum ATP-dependent Clp protease proteolytic subunit 0.0508 0.0815 1
Echinococcus granulosus ATP dependent Clp protease proteolytic subunit 0.0508 0.0815 0.0815
Brugia malayi Pip kinase protein 2 0.035 0.0556 0.0556
Schistosoma mansoni retinoic acid receptor RXR 0.0528 0.0846 0.0887
Loa Loa (eye worm) hypothetical protein 0.0279 0.044 0.044
Loa Loa (eye worm) follicle stimulating hormone receptor 0.028 0.0441 0.0441
Brugia malayi nuclear receptor RXR 0.0279 0.044 0.044
Echinococcus multilocularis phosphatidylinositol phosphate 5 kinase type III 0.0028 0.003 0.003
Trichomonas vaginalis CAMK family protein kinase 0.0512 0.082 1
Loa Loa (eye worm) nuclear hormone receptor family member nhr-1 0.0528 0.0846 0.0846
Loa Loa (eye worm) pip kinase 1 0.0028 0.003 0.003
Trichomonas vaginalis CAMK family protein kinase 0.0512 0.082 1
Trichomonas vaginalis CAMK family protein kinase 0.0512 0.082 1
Toxoplasma gondii phosphatidylinositol-4-phosphate 5-Kinase 0.0028 0.003 0.023
Schistosoma mansoni nuclear hormone receptor 0.0528 0.0846 0.0887
Echinococcus multilocularis nuclear receptor subfamily 1 group D 0.0279 0.044 0.044
Schistosoma mansoni thyroid hormone receptor 0.0528 0.0846 0.0887
Brugia malayi calcium-independent alpha-latrotoxin receptor 2, putative 0.0083 0.012 0.012
Onchocerca volvulus 0.035 0.0556 0.5314
Echinococcus granulosus ubiquitin specific protease 41 0.0045 0.0057 0.0057
Echinococcus multilocularis nuclear receptor nhr 48 0.0249 0.0391 0.0391
Onchocerca volvulus Protein ultraspiracle homolog 0.0528 0.0846 1
Loa Loa (eye worm) nuclear receptor nhr-7B 0.0249 0.0391 0.0391
Schistosoma mansoni ecdysone-induced protein 78c (dr-78) 0.0279 0.044 0.046
Brugia malayi hypothetical protein 0.0249 0.0391 0.0391
Echinococcus multilocularis hepatocyte nuclear factor 4 alpha 0.6129 1 1
Loa Loa (eye worm) hypothetical protein 0.0508 0.0815 0.0815
Brugia malayi Isocitrate dehydrogenase 0.0017 0.0011 0.0011
Echinococcus multilocularis nuclear receptor 2DBD gamma 0.0249 0.0391 0.0391
Loa Loa (eye worm) hypothetical protein 0.0249 0.0391 0.0391
Loa Loa (eye worm) hypothetical protein 0.0249 0.0391 0.0391
Brugia malayi hypothetical protein 0.0249 0.0391 0.0391
Loa Loa (eye worm) hypothetical protein 0.0083 0.012 0.012
Schistosoma mansoni hepatocyte nuclear factor 4-alpha (hnf-4-alpha) 0.585 0.9544 1
Echinococcus multilocularis Peptidase C19, ubiquitin carboxyl terminal hydrolase 2 0.0045 0.0057 0.0057
Entamoeba histolytica serine/threonine protein kinase, putative 0.0512 0.082 1
Echinococcus multilocularis ATP dependent Clp protease proteolytic subunit 0.0508 0.0815 0.0815
Trypanosoma cruzi phosphatidylinositol-4-phosphate 5-kinase-like, putative 0.0028 0.003 0.0228
Echinococcus granulosus nuclear receptor 2DBD gamma 0.0528 0.0846 0.0846
Brugia malayi Ligand-binding domain of nuclear hormone receptor family protein 0.0528 0.0846 0.0846
Leishmania major phosphatidylinositol-4-phosphate-5-kinase-likep ro tein 0.0028 0.003 0.0228
Trichomonas vaginalis CAMK family protein kinase 0.0512 0.082 1
Trypanosoma brucei phosphatidylinositol-4-phosphate 5-kinase, putative 0.0028 0.003 0.0228
Loa Loa (eye worm) isocitrate dehydrogenase 0.0017 0.0011 0.0011
Echinococcus multilocularis FTZ F1 alpha 0.0528 0.0846 0.0846
Echinococcus granulosus nuclear receptor subfamily 1 group D 0.0279 0.044 0.044
Schistosoma mansoni Tr4/Tr2 (homologue) 0.0528 0.0846 0.0887
Brugia malayi Nuclear hormone receptor family member nhr-3 0.0528 0.0846 0.0846
Loa Loa (eye worm) DR-78 0.0249 0.0391 0.0391
Plasmodium vivax phosphatidylinositol-4-phosphate 5-kinase, putative 0.0028 0.003 0.023
Loa Loa (eye worm) nuclear receptor NHR-67 0.0249 0.0391 0.0391
Leishmania major phosphatidylinositol-4-phosphate 5-kinase-like, putative 0.0028 0.003 0.0228
Brugia malayi Nuclear hormone receptor E75 0.0249 0.0391 0.0391
Onchocerca volvulus Serine\/threonine kinase homolog 0.0512 0.082 0.9579
Onchocerca volvulus 0.0249 0.0391 0.2659
Schistosoma mansoni zinc finger protein 0.0249 0.0391 0.0409
Plasmodium falciparum phosphatidylinositol-4-phosphate 5-kinase 0.0028 0.003 0.023
Loa Loa (eye worm) hypothetical protein 0.0249 0.0391 0.0391
Loa Loa (eye worm) PLK/PLK1 protein kinase 0.0512 0.082 0.082
Mycobacterium ulcerans ATP-dependent Clp protease proteolytic subunit 0.0508 0.0815 0.5
Chlamydia trachomatis ATP-dependent Clp protease proteolytic subunit 0.0508 0.0815 0.5
Schistosoma mansoni coup transcription factor 0.0528 0.0846 0.0887
Schistosoma mansoni hypothetical protein 0.0083 0.012 0.0126
Schistosoma mansoni kinase 0.026 0.0409 0.0428
Schistosoma mansoni phosphatidylinositol-4-phosphate 5-kinase type II 0.0028 0.003 0.0031
Echinococcus granulosus ecdysone induced protein 78C 0.0528 0.0846 0.0846
Brugia malayi ecdysteroid receptor 0.0528 0.0846 0.0846
Brugia malayi nuclear receptor subfamily 1, group D, member 1, putative 0.0249 0.0391 0.0391
Loa Loa (eye worm) hypothetical protein 0.0249 0.0391 0.0391
Echinococcus granulosus NADP dependent isocitrate dehydrogenase 0.0017 0.0011 0.0011
Toxoplasma gondii hypothetical protein 0.0175 0.027 0.3221
Brugia malayi Nuclear hormone receptor family member nhr-14 0.0528 0.0846 0.0846
Brugia malayi Nuclear hormone receptor family member nhr-1 0.0528 0.0846 0.0846
Brugia malayi FYVE finger-containing phosphoinositide kinase, putative 0.0028 0.003 0.003
Echinococcus multilocularis thyroid hormone receptor alpha 0.0528 0.0846 0.0846
Chlamydia trachomatis ATP-dependent Clp protease proteolytic subunit 0.0508 0.0815 0.5
Toxoplasma gondii phosphatidylinositol-4-phosphate 5-kinase 0.0028 0.003 0.023
Loa Loa (eye worm) hypothetical protein 0.0148 0.0226 0.0226
Brugia malayi nuclear receptor RXR 0.0249 0.0391 0.0391
Mycobacterium ulcerans ATP-dependent Clp protease proteolytic subunit 0.0508 0.0815 0.5
Brugia malayi Nuclear hormone receptor family member nhr-31 0.0528 0.0846 0.0846
Schistosoma mansoni nuclear receptor nhr-48 0.0249 0.0391 0.0409
Loa Loa (eye worm) hypothetical protein 0.0263 0.0414 0.0414
Brugia malayi nuclear hormone receptor 0.0249 0.0391 0.0391
Loa Loa (eye worm) hypothetical protein 0.0045 0.0057 0.0057
Schistosoma mansoni phosphatidylinositol-4-phosphate-5-kinaseputativ e 0.0028 0.003 0.0031
Brugia malayi nuclear hormone receptor 0.0528 0.0846 0.0846
Echinococcus multilocularis peptidase Clp (S14 family) 0.0333 0.0529 0.0529
Plasmodium vivax ATP-dependent Clp protease proteolytic subunit, putative 0.0175 0.027 0.3221
Echinococcus multilocularis GPCR, family 2 0.0083 0.012 0.012
Echinococcus multilocularis COUP TF:Svp nuclear hormone receptor 0.0528 0.0846 0.0846
Schistosoma mansoni steroid hormone receptor ad4bp 0.0528 0.0846 0.0887
Brugia malayi Pip kinase protein 1 0.0028 0.003 0.003
Brugia malayi conserved hypotetical protein 0.0249 0.0391 0.0391
Echinococcus multilocularis Nuclear hormone receptor HR96 0.0249 0.0391 0.0391
Leishmania major protein kinase, putative,polo-like protein kinase, putative 0.0512 0.082 1
Brugia malayi nuclear receptor NHR-88 0.0528 0.0846 0.0846
Loa Loa (eye worm) hypothetical protein 0.0528 0.0846 0.0846
Loa Loa (eye worm) hypothetical protein 0.0148 0.0226 0.0226
Brugia malayi nuclear receptor NHR-88 0.0249 0.0391 0.0391
Trichomonas vaginalis CAMK family protein kinase 0.0512 0.082 1
Brugia malayi Ubiquitin carboxyl-terminal hydrolase family protein 0.0045 0.0057 0.0057
Mycobacterium leprae PROBABLE ATP-DEPENDENT CLP PROTEASE PROTEOLYTIC SUBUNIT 2 CLPP2 (ENDOPEPTIDASE CLP 2) 0.0508 0.0815 1
Leishmania major ubiquitin hydrolase, putative,cysteine peptidase, Clan CA, family C19, putative 0.0045 0.0057 0.0563
Schistosoma mansoni NADP-specific isocitrate dehydrogenase 0.0017 0.0011 0.0012
Echinococcus multilocularis FTZ F1 nuclear receptor protein 0.0528 0.0846 0.0846
Echinococcus multilocularis serine:threonine protein kinase PLK1 0.0512 0.082 0.082
Brugia malayi hypothetical protein 0.0148 0.0226 0.0226
Brugia malayi photoreceptor-specific nuclear receptor 0.0528 0.0846 0.0846
Loa Loa (eye worm) hypothetical protein 0.0279 0.044 0.044
Loa Loa (eye worm) hypothetical protein 0.0279 0.044 0.044
Trypanosoma brucei ubiquitin carboxyl-terminal hydrolase, putative 0.0045 0.0057 0.0563
Schistosoma mansoni nuclear hormone receptor superfamily protein-related 0.0249 0.0391 0.0409
Mycobacterium tuberculosis Probable ATP-dependent CLP protease proteolytic subunit 1 ClpP1 (endopeptidase CLP) 0.0333 0.0529 1
Brugia malayi nuclear hormone receptor family member odr-7 0.0249 0.0391 0.0391
Echinococcus granulosus Peptidase C19 ubiquitin carboxyl terminal hydrolase 2 0.0045 0.0057 0.0057
Echinococcus granulosus Phosphatidylinositol 4 phosphate 5 kinase type 1 0.0028 0.003 0.003
Schistosoma mansoni hypothetical protein 0.0083 0.012 0.0126
Loa Loa (eye worm) hypothetical protein 0.0249 0.0391 0.0391
Schistosoma mansoni nuclear hormone receptor 0.0249 0.0391 0.0409
Schistosoma mansoni RAR-like nuclear receptor 0.0528 0.0846 0.0887
Schistosoma mansoni ubiquitin-specific peptidase 8 (C19 family) 0.0045 0.0057 0.006
Echinococcus granulosus Nuclear hormone receptor family member nhr 41 0.0528 0.0846 0.0846
Loa Loa (eye worm) hypothetical protein 0.0279 0.044 0.044
Loa Loa (eye worm) hypothetical protein 0.035 0.0556 0.0556
Echinococcus multilocularis Nuclear hormone receptor family member nhr 41 0.0528 0.0846 0.0846
Echinococcus granulosus ubiquitin carboxyl terminal hydrolase 8 0.0045 0.0057 0.0057
Mycobacterium leprae PROBABLE ATP-DEPENDENT CLP PROTEASE PROTEOLYTIC SUBUNIT 1 CLPP1 (ENDOPEPTIDASE CLP) 0.0333 0.0529 0.4744
Brugia malayi serine/threonine-protein kinase plk-2 0.0512 0.082 0.082
Trypanosoma brucei phosphatidylinositol-4-phosphate 5-kinase, putative 0.0028 0.003 0.0228
Echinococcus multilocularis diuretic hormone 44 receptor GPRdih2 0.0083 0.012 0.012
Brugia malayi Nuclear hormone receptor family member nhr-41 0.0528 0.0846 0.0846
Brugia malayi Nuclear hormone receptor E75 0.0249 0.0391 0.0391
Echinococcus multilocularis ubiquitin specific protease 41 0.0045 0.0057 0.0057
Plasmodium vivax ATP-dependent Clp protease proteolytic subunit, putative 0.0508 0.0815 1
Echinococcus granulosus nuclear receptor 2DBD gamma 0.0249 0.0391 0.0391
Echinococcus granulosus retinoic acid receptor rxr beta a 0.0528 0.0846 0.0846
Schistosoma mansoni FTZ-F1 nuclear receptor-like protein 0.0528 0.0846 0.0887
Echinococcus multilocularis nuclear receptor subfamily 4 group A 0.0249 0.0391 0.0391
Onchocerca volvulus 0.0249 0.0391 0.2659
Loa Loa (eye worm) hypothetical protein 0.0249 0.0391 0.0391
Trypanosoma cruzi phosphatidylinositol-4-phosphate 5-kinase-like, putative 0.0028 0.003 0.0228
Trypanosoma cruzi phosphatidylinositol-4-phosphate 5-kinase type II beta, putative 0.0028 0.003 0.0228
Trypanosoma brucei phosphatidylinositol (3,5) kinase, putative 0.0028 0.003 0.0228
Schistosoma mansoni retinoid-x-receptor (RXR) 0.0279 0.044 0.046
Brugia malayi nuclear hormone receptor family member nhr-6 0.0249 0.0391 0.0391
Toxoplasma gondii phosphatidylinositol-4-phosphate 5-Kinase 0.0028 0.003 0.023
Brugia malayi Nuclear hormone receptor family member nhr-25 0.0528 0.0846 0.0846
Echinococcus multilocularis cadherin EGF LAG seven pass G type receptor 0.0083 0.012 0.012
Brugia malayi Nuclear hormone receptor family member nhr-25 0.0528 0.0846 0.0846
Loa Loa (eye worm) hypothetical protein 0.0528 0.0846 0.0846
Echinococcus granulosus FTZ F1 alpha 0.0528 0.0846 0.0846
Brugia malayi ecdysone receptor 0.0249 0.0391 0.0391
Brugia malayi Nuclear hormone receptor family member nhr-40 0.0528 0.0846 0.0846
Echinococcus granulosus nuclear receptor nhr 48 0.0249 0.0391 0.0391
Brugia malayi latrophilin 2 splice variant baaae 0.018 0.0278 0.0278
Loa Loa (eye worm) hypothetical protein 0.0249 0.0391 0.0391
Trichomonas vaginalis conserved hypothetical protein 0.0045 0.0057 0.0343
Onchocerca volvulus Steroid hormone receptor family member cnr14 homolog 0.0528 0.0846 1
Toxoplasma gondii ATP-dependent Clp endopeptidase, proteolytic subunit ClpP domain-containing protein 0.0508 0.0815 1
Echinococcus multilocularis nuclear receptor 2DBD gamma 0.0528 0.0846 0.0846
Plasmodium vivax hypothetical protein, conserved 0.0028 0.003 0.023
Brugia malayi Nuclear hormone receptor family member nhr-19 0.0528 0.0846 0.0846
Loa Loa (eye worm) hypothetical protein 0.0249 0.0391 0.0391
Echinococcus multilocularis Phosphatidylinositol 4 phosphate 5 kinase type 1 0.0028 0.003 0.003
Echinococcus granulosus FTZ F1 nuclear receptor protein 0.0528 0.0846 0.0846
Brugia malayi Nuclear hormone receptor-like 1 0.0528 0.0846 0.0846
Schistosoma mansoni nuclear hormone receptor nor-1/nor-2 0.0528 0.0846 0.0887
Echinococcus granulosus phosphatidylinositol phosphate 5 kinase type III 0.0028 0.003 0.003
Loa Loa (eye worm) FYVE finger-containing phosphoinositide kinase 0.0028 0.003 0.003
Giardia lamblia Ubiquitin carboxyl-terminal hydrolase 4 0.0045 0.0057 0.0343
Trypanosoma cruzi ubiquitin carboxyl-terminal hydrolase, putative 0.0045 0.0057 0.0563
Wolbachia endosymbiont of Brugia malayi ATP-dependent Clp protease proteolytic subunit 0.0508 0.0815 0.5
Trypanosoma brucei polo-like protein kinase 0.0512 0.082 1
Schistosoma mansoni hypothetical protein 0.0083 0.012 0.0126
Loa Loa (eye worm) hypothetical protein 0.0528 0.0846 0.0846
Echinococcus granulosus COUP TF:Svp nuclear hormone receptor 0.0528 0.0846 0.0846
Trichomonas vaginalis CAMK family protein kinase 0.0253 0.0398 0.4657
Trypanosoma cruzi phosphatidylinositol-4-phosphate 5-kinase, putative 0.0028 0.003 0.0228
Echinococcus granulosus Nuclear hormone receptor HR96 0.0249 0.0391 0.0391
Echinococcus multilocularis retinoic acid receptor rxr beta a retinoic acid receptor rxr alpha a retinoic acid receptor rxr alpha 0.0249 0.0391 0.0391
Echinococcus multilocularis isocitrate dehydrogenase 0.0017 0.0011 0.0011
Schistosoma mansoni hypothetical protein 0.018 0.0278 0.0291
Plasmodium falciparum ATP-dependent Clp protease proteolytic subunit 0.0508 0.0815 1
Brugia malayi steroid hormone receptor 0.0528 0.0846 0.0846
Loa Loa (eye worm) hypothetical protein 0.0249 0.0391 0.0391
Loa Loa (eye worm) hypothetical protein 0.0249 0.0391 0.0391
Trypanosoma cruzi phosphatidylinositol 4-phosphate 5-kinase alpha, putative 0.0028 0.003 0.0228
Trichomonas vaginalis CAMK family protein kinase 0.0512 0.082 1
Schistosoma mansoni phosphatidylinositol-4-phosphate 5-kinase type II 0.035 0.0556 0.0582
Trypanosoma cruzi phosphatidylinositol-4-phosphate 5-kinase, putative 0.0028 0.003 0.0228
Brugia malayi Calcitonin receptor-like protein seb-1 0.0263 0.0414 0.0414
Echinococcus granulosus diuretic hormone 44 receptor GPRdih2 0.0083 0.012 0.012
Toxoplasma gondii ATP-dependent Clp endopeptidase, proteolytic subunit ClpP domain-containing protein 0.0508 0.0815 1
Brugia malayi hypothetical protein 0.0279 0.044 0.044
Brugia malayi MH2 domain containing protein 0.0144 0.022 0.022
Brugia malayi Probable ClpP-like protease 0.0508 0.0815 0.0815
Onchocerca volvulus 0.0528 0.0846 1
Echinococcus multilocularis nuclear receptor 2DBD gamma 0.0528 0.0846 0.0846
Echinococcus granulosus Nuclear hormone receptor HR96 0.0249 0.0391 0.0391
Brugia malayi hypothetical protein 0.0279 0.044 0.044
Trypanosoma cruzi polo-like protein kinase, putative 0.0512 0.082 1
Echinococcus multilocularis NADP dependent isocitrate dehydrogenase 0.0017 0.0011 0.0011
Giardia lamblia Kinase, PLK 0.0512 0.082 1
Plasmodium falciparum ATP-dependent Clp protease proteolytic subunit 0.0175 0.027 0.3221
Echinococcus granulosus GPCR family 2 0.0083 0.012 0.012
Echinococcus granulosus hepatocyte nuclear factor 4 alpha 0.6129 1 1
Loa Loa (eye worm) nuclear hormone receptor family member nhr-40 0.0528 0.0846 0.0846
Trichomonas vaginalis CAMK family protein kinase 0.0512 0.082 1
Echinococcus multilocularis ubiquitin carboxyl terminal hydrolase 8 0.0045 0.0057 0.0057
Loa Loa (eye worm) nuclear hormone receptor family member nhr-14 0.0528 0.0846 0.0846
Loa Loa (eye worm) nuclear hormone receptor family member nhr-31 0.0528 0.0846 0.0846
Onchocerca volvulus Bile acid receptor homolog 0.0528 0.0846 1
Schistosoma mansoni nuclear receptor 0.0249 0.0391 0.0409
Trichomonas vaginalis CAMK family protein kinase 0.0253 0.0398 0.4657
Loa Loa (eye worm) hypothetical protein 0.018 0.0278 0.0278
Loa Loa (eye worm) MH2 domain-containing protein 0.0144 0.022 0.022
Loa Loa (eye worm) FYVE zinc finger family protein 0.0028 0.003 0.003
Schistosoma mansoni phosphatidylinositol-4-phosphate 5-kinase type I 0.0028 0.003 0.0031
Loa Loa (eye worm) nuclear hormone receptor 0.0249 0.0391 0.0391
Loa Loa (eye worm) latrophilin receptor protein 2 0.0083 0.012 0.012
Trypanosoma cruzi ubiquitin carboxyl-terminal hydrolase, putative 0.0045 0.0057 0.0563
Echinococcus granulosus nuclear receptor 2DBD gamma 0.0528 0.0846 0.0846
Brugia malayi Steroid receptor seven-up type 2 0.0528 0.0846 0.0846
Loa Loa (eye worm) hypothetical protein 0.0528 0.0846 0.0846
Brugia malayi Ligand-binding domain of nuclear hormone receptor family protein 0.0528 0.0846 0.0846
Onchocerca volvulus Rap guanine nucleotide exchange factor 1 homolog 0.02 0.031 0.1359
Loa Loa (eye worm) hypothetical protein 0.0279 0.044 0.044
Loa Loa (eye worm) hypothetical protein 0.0528 0.0846 0.0846
Brugia malayi follicle stimulating hormone receptor 0.028 0.0441 0.0441
Echinococcus multilocularis isocitrate dehydrogenase 2 (NADP+) 0.0017 0.0011 0.0011
Schistosoma mansoni peptidase Clp (S14 family) 0.0508 0.0815 0.0854

Activities

Activity type Activity value Assay description Source Reference
Potency (functional) 0.2239 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) = 0.8913 um PUBCHEM_BIOASSAY: qHTS Multiplex Assay to Identify Dual Action Probes in a Cell Model of Huntington: Aggregate Formation (GFP). (Class of assay: confirmatory) [Related pubchem assays: 1482, 1471 ] ChEMBL. No reference
Potency (functional) = 3.1623 um PUBCHEM_BIOASSAY: qHTS Assay for Agonists of the Thyroid Stimulating Hormone Receptor. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) = 12.5893 um PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of Ubiquitin-specific Protease USP2a. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 14.7157 uM PUBCHEM_BIOASSAY: Primary qHTS for delayed death inhibitors of the malarial parasite plastid, 48 hour incubation. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID488752, AID488774, AID504848, AID504850] ChEMBL. No reference
Potency (functional) 15.8489 uM PUBCHEM_BIOASSAY: qHTS for Inhibitors of binding or entry into cells for Lassa Virus. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID463114, AID540249] ChEMBL. No reference
Potency (functional) 20.5962 uM PUBCHEM_BIOASSAY: qHTS screen for small molecules that inhibit ELG1-dependent DNA repair in human embryonic kidney (HEK293T) cells expressing luciferase-tagged ELG1. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID493107, AID493125] ChEMBL. No reference
Potency (functional) = 25.1189 um PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of HSD17B4, hydroxysteroid (17-beta) dehydrogenase 4. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) = 25.1189 um PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of 15-hLO (15-human lipoxygenase). (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 25.1189 uM PubChem BioAssay. qHTS Assay for Activators of ClpP. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) = 28.1838 um PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of Human Jumonji Domain Containing 2E (JMJD2E). (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) = 28.1838 um PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of Aldehyde Dehydrogenase 1 (ALDH1A1). (Class of assay: confirmatory) [Related pubchem assays: 1030 (qHTS Validation Assay for Inhibitors of aldehyde dehydrogenase 1 (ALDH1A1))] ChEMBL. No reference
Potency (functional) 28.1838 uM PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of GCN5L2. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID504398] ChEMBL. No reference
Potency (functional) = 39.8107 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) = 100 um PUBCHEM_BIOASSAY: qHTS Inhibitors of AmpC Beta-Lactamase (assay with detergent). (Class of assay: confirmatory) [Related pubchem assays: 1002 (Confirmation Concentration-Response Assay for Inhibitors of AmpC Beta-Lactamase (assay with detergent)), 585 (Promiscuous and Specific Inhibitors of AmpC Beta-Lactamase (assay without detergent) - a screen old NIH MLSMR collection), 584 (Promiscuous and Specific Inhibitors of AmpC Beta-Lactamase (assay with detergent) - a screen of the old NIH MLSMR collection), 1003 (Confirmation Cuvette-Based Assay for Inhibitors of AmpC Beta-Lactamase (assay with detergent))] ChEMBL. No reference

Phenotypes

Whole-cell/tissue/organism interactions

Species name Source Reference Is orphan
Homo sapiens ChEMBL23
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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