Detailed information for compound 1229033

Basic information

Technical information
  • TDR Targets ID: 1229033
  • Name: 7-(4-methylphenyl)-1-propyl-5-(trifluoromethy l)pyrido[3,2-e]pyrimidine-2,4-dione
  • MW: 363.334 | Formula: C18H16F3N3O2
  • H donors: 1 H acceptors: 3 LogP: 3.7 Rotable bonds: 4
    Rule of 5 violations (Lipinski): 1
  • SMILES: CCCn1c(=O)[nH]c(=O)c2c1nc(cc2C(F)(F)F)c1ccc(cc1)C
  • InChi: 1S/C18H16F3N3O2/c1-3-8-24-15-14(16(25)23-17(24)26)12(18(19,20)21)9-13(22-15)11-6-4-10(2)5-7-11/h4-7,9H,3,8H2,1-2H3,(H,23,25,26)
  • InChiKey: ZOXRFIMIHJAGEO-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

  • 7-(4-methylphenyl)-1-propyl-5-(trifluoromethyl)pyrido[3,2-e]pyrimidine-2,4-quinone
  • T0519-0493
  • MLS001007676
  • SMR000384800

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Homo sapiens aldehyde dehydrogenase 1 family, member A1 Starlite/ChEMBL No references
Homo sapiens lysine (K)-specific demethylase 4E Starlite/ChEMBL No references
Homo sapiens mitogen-activated protein kinase 1 Starlite/ChEMBL No references

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Leishmania mexicana aldehyde dehydrogenase, mitochondrial precursor Get druggable targets OG5_126638 All targets in OG5_126638
Leishmania donovani mitogen-activated protein kinase 4 Get druggable targets OG5_126781 All targets in OG5_126781
Mycobacterium ulcerans aldehyde dehydrogenase Get druggable targets OG5_126638 All targets in OG5_126638
Candida albicans aldehyde dehydrogenase Get druggable targets OG5_126638 All targets in OG5_126638
Trypanosoma brucei gambiense protein kinase, putative,tyrosine protein kinase, putative Get druggable targets OG5_126781 All targets in OG5_126781
Echinococcus multilocularis mitogen activated protein kinase Get druggable targets OG5_126781 All targets in OG5_126781
Candida albicans Serine/threonine protein kinase of MAP kinase family Get druggable targets OG5_126781 All targets in OG5_126781
Schistosoma japonicum Aldehyde dehydrogenase X, mitochondrial precursor, putative Get druggable targets OG5_126638 All targets in OG5_126638
Echinococcus multilocularis aldehyde dehydrogenase, mitochondrial Get druggable targets OG5_126638 All targets in OG5_126638
Candida albicans Mitochondrial aldehyde dehydrogenase Get druggable targets OG5_126638 All targets in OG5_126638
Schistosoma mansoni aldehyde dehydrogenase Get druggable targets OG5_126638 All targets in OG5_126638
Schistosoma japonicum Aldehyde dehydrogenase, mitochondrial precursor, putative Get druggable targets OG5_126638 All targets in OG5_126638
Trypanosoma cruzi mitogen-activated protein kinase 11, putative Get druggable targets OG5_126781 All targets in OG5_126781
Trypanosoma brucei protein kinase, putative Get druggable targets OG5_126781 All targets in OG5_126781
Leishmania mexicana mitogen-activated protein kinase Get druggable targets OG5_126781 All targets in OG5_126781
Mycobacterium tuberculosis Probable aldehyde dehydrogenase Get druggable targets OG5_126638 All targets in OG5_126638
Cryptosporidium hominis MAPK Get druggable targets OG5_126781 All targets in OG5_126781
Schistosoma japonicum Mitogen-activated protein kinase 3, putative Get druggable targets OG5_126781 All targets in OG5_126781
Trichomonas vaginalis CMGC family protein kinase Get druggable targets OG5_126781 All targets in OG5_126781
Trypanosoma cruzi mitogen-activated protein kinase 11, putative Get druggable targets OG5_126781 All targets in OG5_126781
Echinococcus granulosus mitogen activated protein kinase 3 Get druggable targets OG5_126781 All targets in OG5_126781
Leishmania donovani aldehyde dehydrogenase, mitochondrial precursor Get druggable targets OG5_126638 All targets in OG5_126638
Toxoplasma gondii aldehyde dehydrogenase Get druggable targets OG5_126638 All targets in OG5_126638
Leishmania infantum mitogen activated protein kinase, putative,map kinase, putative Get druggable targets OG5_126781 All targets in OG5_126781
Schistosoma mansoni aldehyde dehydrogenase Get druggable targets OG5_126638 All targets in OG5_126638
Schistosoma japonicum ko:K04371 extracellular signal-regulated kinase 1/2, putative Get druggable targets OG5_126781 All targets in OG5_126781
Candida albicans aldehyde dehydrogenase Get druggable targets OG5_126638 All targets in OG5_126638
Leishmania major mitogen activated protein kinase 4, putative;with=GeneDB:LmxM19.1440 Get druggable targets OG5_126781 All targets in OG5_126781
Echinococcus granulosus aldehyde dehydrogenase mitochondrial Get druggable targets OG5_126638 All targets in OG5_126638
Loa Loa (eye worm) CMGC/MAPK/ERK1 protein kinase Get druggable targets OG5_126781 All targets in OG5_126781
Trypanosoma brucei gambiense mitogen-activated protein kinase, putative Get druggable targets OG5_126781 All targets in OG5_126781
Schistosoma mansoni serine/threonine protein kinase Get druggable targets OG5_126781 All targets in OG5_126781
Candida albicans Mitochondrial aldehyde dehydrogenase Get druggable targets OG5_126638 All targets in OG5_126638
Trichomonas vaginalis CMGC family protein kinase Get druggable targets OG5_126781 All targets in OG5_126781
Brugia malayi MAP kinase sur-1 Get druggable targets OG5_126781 All targets in OG5_126781
Candida albicans Serine/threonine protein kinase of MAP kinase family Get druggable targets OG5_126781 All targets in OG5_126781
Leishmania braziliensis mitogen activated protein kinase, putative,map kinase, putative Get druggable targets OG5_126781 All targets in OG5_126781
Trypanosoma brucei mitogen activated protein kinase 4, putative Get druggable targets OG5_126781 All targets in OG5_126781
Mycobacterium ulcerans aldehyde dehydrogenase Get druggable targets OG5_126638 All targets in OG5_126638
Schistosoma japonicum ko:K00128 aldehyde dehydrogenase (NAD+) [EC1.2.1.3], putative Get druggable targets OG5_126638 All targets in OG5_126638
Trypanosoma cruzi mitogen activated protein kinase 2, putative Get druggable targets OG5_126781 All targets in OG5_126781
Echinococcus granulosus mitogen activated protein kinase Get druggable targets OG5_126781 All targets in OG5_126781
Candida albicans MAP kinase implicated in PKC1-controlled signalling pathway Get druggable targets OG5_126781 All targets in OG5_126781
Mycobacterium ulcerans aldehyde dehydrogenase Get druggable targets OG5_126638 All targets in OG5_126638
Schistosoma japonicum Mitogen-activated protein kinase 3, putative Get druggable targets OG5_126781 All targets in OG5_126781
Echinococcus multilocularis mitogen activated protein kinase 3 Get druggable targets OG5_126781 All targets in OG5_126781
Leishmania mexicana mitogen activated protein kinase, putative,map kinase, putative Get druggable targets OG5_126781 All targets in OG5_126781
Leishmania donovani mitogen activated protein kinase, putative Get druggable targets OG5_126781 All targets in OG5_126781
Leishmania major mitogen activated protein kinase, putative,map kinase, putative Get druggable targets OG5_126781 All targets in OG5_126781
Cryptosporidium parvum MAPK, putative Get druggable targets OG5_126781 All targets in OG5_126781
Schistosoma japonicum Retinal dehydrogenase 1, putative Get druggable targets OG5_126638 All targets in OG5_126638
Trichomonas vaginalis CMGC family protein kinase Get druggable targets OG5_126781 All targets in OG5_126781
Trichomonas vaginalis CMGC family protein kinase Get druggable targets OG5_126781 All targets in OG5_126781
Giardia lamblia Kinase, CMGC MAPK Get druggable targets OG5_126781 All targets in OG5_126781
Trypanosoma cruzi mitogen activated protein kinase 4, putative Get druggable targets OG5_126781 All targets in OG5_126781
Leishmania infantum mitogen activated protein kinase 4, putative;with=GeneDB:LmxM19.1440 Get druggable targets OG5_126781 All targets in OG5_126781
Leishmania braziliensis mitogen activated protein kinase 4, putative;with=GeneDB:LmxM19.1440,map kinase Get druggable targets OG5_126781 All targets in OG5_126781
Toxoplasma gondii CMGC kinase, MAPK family (ERK) MAPK-1 Get druggable targets OG5_126781 All targets in OG5_126781
Leishmania braziliensis aldehyde dehydrogenase, mitochondrial precursor Get druggable targets OG5_126638 All targets in OG5_126638
Neospora caninum hypothetical protein Get druggable targets OG5_126638 All targets in OG5_126638
Candida albicans MAP kinase-like orf Get druggable targets OG5_126781 All targets in OG5_126781
Leishmania major aldehyde dehydrogenase, mitochondrial precursor Get druggable targets OG5_126638 All targets in OG5_126638
Candida albicans MAP kinase-like orf Get druggable targets OG5_126781 All targets in OG5_126781
Trypanosoma congolense tyrosine protein kinase, putative Get druggable targets OG5_126781 All targets in OG5_126781
Leishmania infantum aldehyde dehydrogenase, mitochondrial precursor Get druggable targets OG5_126638 All targets in OG5_126638
By sequence similarity to non orthologous known druggable targets
Species Potential target Known druggable target Length Alignment span Identity
Mycobacterium tuberculosis Succinate-semialdehyde dehydrogenase [NADP+] dependent (SSDH) GabD1 aldehyde dehydrogenase 1 family, member A1 501 aa 456 aa 33.3 %
Trypanosoma brucei mitogen-activated protein kinase 5 mitogen-activated protein kinase 1 360 aa 361 aa 33.2 %
Obtained from network model

Ranking Plot

Putative Targets List

Species Potential target Raw Global Species
Schistosoma mansoni jumonji/arid domain-containing protein 0.0071 0.1047 0.1441
Brugia malayi GTP-binding regulatory protein Gs alpha-S chain, putative 0.0095 0.1531 0.3965
Brugia malayi Ligand-binding domain of nuclear hormone receptor family protein 0.002 0.0025 0.0064
Trypanosoma cruzi mitogen-activated protein kinase 11, putative 0.0062 0.0862 0.5764
Schistosoma mansoni steroid hormone receptor ad4bp 0.002 0.0025 0.0034
Trichomonas vaginalis penicillin-binding protein, putative 0.0081 0.1244 0.2622
Toxoplasma gondii HEAT repeat-containing protein 0.0033 0.0281 0.2256
Brugia malayi Nuclear hormone receptor family member nhr-41 0.002 0.0025 0.0064
Schistosoma mansoni serine/threonine protein kinase 0.0062 0.0862 0.1187
Brugia malayi Nuclear hormone receptor family member nhr-14 0.002 0.0025 0.0064
Trichomonas vaginalis Importin beta-1 subunit, putative 0.0027 0.0156 0.0114
Echinococcus granulosus beta LACTamase domain containing family member 0.0081 0.1244 0.1712
Loa Loa (eye worm) hypothetical protein 0.0081 0.1244 0.1863
Loa Loa (eye worm) hypothetical protein 0.0081 0.1244 0.1863
Trichomonas vaginalis CAMK family protein kinase 0.0093 0.1496 0.3202
Schistosoma mansoni thyroid hormone receptor 0.0148 0.259 0.3565
Onchocerca volvulus 0.024 0.4447 1
Giardia lamblia Kinase, CMGC MAPK 0.0062 0.0862 0.5441
Schistosoma mansoni hypothetical protein 0.038 0.7266 1
Trichomonas vaginalis D-aminoacylase, putative 0.0081 0.1244 0.2622
Mycobacterium ulcerans beta-lactamase 0.0081 0.1244 1
Schistosoma mansoni nuclear hormone receptor nor-1/nor-2 0.002 0.0025 0.0034
Toxoplasma gondii CMGC kinase, MAPK family (ERK) MAPK-1 0.0062 0.0862 0.693
Loa Loa (eye worm) hypothetical protein 0.002 0.0025 0.0037
Schistosoma mansoni importin beta-1 0.0033 0.0281 0.0386
Schistosoma mansoni hypothetical protein 0.038 0.7266 1
Loa Loa (eye worm) GTP-binding nuclear protein RAN/TC4 0.0024 0.0106 0.0159
Echinococcus multilocularis aldehyde dehydrogenase, mitochondrial 0.0073 0.1093 0.1504
Trichomonas vaginalis CMGC family protein kinase 0.0062 0.0862 0.1742
Loa Loa (eye worm) hypothetical protein 0.002 0.0025 0.0037
Schistosoma mansoni aldehyde dehydrogenase 0.0073 0.1093 0.1504
Echinococcus multilocularis Nuclear hormone receptor family member nhr 41 0.002 0.0025 0.0034
Brugia malayi Nuclear hormone receptor family member nhr-40 0.002 0.0025 0.0064
Entamoeba histolytica hypothetical protein 0.0027 0.0156 0.0356
Trichomonas vaginalis CAMK family protein kinase 0.0046 0.0554 0.1032
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0095 0.1531 0.2107
Schistosoma mansoni Tr4/Tr2 (homologue) 0.002 0.0025 0.0034
Brugia malayi jmjC domain containing protein 0.0071 0.1047 0.2712
Loa Loa (eye worm) hypothetical protein 0.0033 0.0281 0.042
Echinococcus granulosus FTZ F1 nuclear receptor protein 0.002 0.0025 0.0034
Brugia malayi Nuclear hormone receptor family member nhr-1 0.002 0.0025 0.0064
Mycobacterium tuberculosis Probable lipase LipE 0.0081 0.1244 0.017
Trypanosoma brucei importin beta-1 subunit, putative 0.0033 0.0281 0.1876
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0095 0.1531 0.2107
Schistosoma mansoni ran 0.0024 0.0106 0.0146
Mycobacterium ulcerans esterase/lipase LipP 0.0081 0.1244 1
Echinococcus multilocularis geminin 0.038 0.7266 1
Loa Loa (eye worm) beta-LACTamase domain containing family member 0.0081 0.1244 0.1863
Echinococcus granulosus Transcription factor JmjC domain containing protein 0.0071 0.1047 0.1441
Echinococcus multilocularis hepatocyte nuclear factor 4 alpha 0.002 0.0025 0.0034
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0095 0.1531 0.2107
Trichomonas vaginalis CAMK family protein kinase 0.0093 0.1496 0.3202
Trypanosoma cruzi polo-like protein kinase, putative 0.0093 0.1496 1
Schistosoma mansoni histone-lysine n-methyltransferase suv9 0.003 0.0228 0.0313
Brugia malayi nuclear receptor NHR-88 0.002 0.0025 0.0064
Echinococcus granulosus nuclear receptor 2DBD gamma 0.002 0.0025 0.0034
Loa Loa (eye worm) pre-SET domain-containing protein family protein 0.0211 0.3861 0.578
Schistosoma mansoni FTZ-F1 nuclear receptor-like protein 0.002 0.0025 0.0034
Echinococcus multilocularis lysine specific demethylase 5A 0.0071 0.1047 0.1441
Echinococcus granulosus ecdysone induced protein 78C 0.002 0.0025 0.0034
Schistosoma mansoni retinoid-x-receptor (RXR) 0.002 0.0025 0.0034
Loa Loa (eye worm) hypothetical protein 0.002 0.0025 0.0037
Loa Loa (eye worm) nuclear hormone receptor family member nhr-40 0.002 0.0025 0.0037
Loa Loa (eye worm) hypothetical protein 0.003 0.0228 0.0341
Leishmania major GTP-binding protein, putative 0.0024 0.0106 0.0709
Echinococcus granulosus Nuclear hormone receptor family member nhr 41 0.002 0.0025 0.0034
Schistosoma mansoni family S12 unassigned peptidase (S12 family) 0.0081 0.1244 0.1712
Echinococcus multilocularis Mitotic checkpoint protein PRCC, C terminal 0.0128 0.2185 0.3007
Mycobacterium tuberculosis Possible conserved lipoprotein LpqK 0.0081 0.1244 0.017
Echinococcus multilocularis FTZ F1 alpha 0.002 0.0025 0.0034
Echinococcus granulosus nuclear receptor 2DBD gamma 0.002 0.0025 0.0034
Schistosoma mansoni coup transcription factor 0.002 0.0025 0.0034
Loa Loa (eye worm) hypothetical protein 0.002 0.0025 0.0037
Trichomonas vaginalis set domain proteins, putative 0.024 0.4447 1
Brugia malayi ecdysteroid receptor 0.002 0.0025 0.0064
Trypanosoma cruzi mitogen-activated protein kinase 11, putative 0.0062 0.0862 0.5764
Trypanosoma cruzi importin beta-1 subunit, putative 0.0027 0.0156 0.104
Mycobacterium tuberculosis Conserved protein 0.0081 0.1244 0.017
Brugia malayi serine/threonine-protein kinase plk-2 0.0093 0.1496 0.3874
Mycobacterium tuberculosis Probable hydrolase 0.0081 0.1244 0.017
Trypanosoma brucei hypothetical protein, conserved 0.0081 0.1244 0.8317
Loa Loa (eye worm) CMGC/MAPK/ERK1 protein kinase 0.0062 0.0862 0.1291
Trypanosoma brucei polo-like protein kinase 0.0093 0.1496 1
Trichomonas vaginalis CMGC family protein kinase 0.0062 0.0862 0.1742
Brugia malayi beta-lactamase 0.0081 0.1244 0.3222
Loa Loa (eye worm) jmjC domain-containing protein 0.0071 0.1047 0.1567
Mycobacterium tuberculosis Conserved protein 0.0081 0.1244 0.017
Loa Loa (eye worm) steroid hormone receptor 0.002 0.0025 0.0037
Brugia malayi Nuclear hormone receptor family member nhr-25 0.002 0.0025 0.0064
Echinococcus multilocularis histone lysine methyltransferase setb histone lysine methyltransferase eggless 0.003 0.0228 0.0313
Trichomonas vaginalis CAMK family protein kinase 0.0046 0.0554 0.1032
Trichomonas vaginalis D-aminoacylase, putative 0.0081 0.1244 0.2622
Leishmania major hypothetical protein, conserved 0.0081 0.1244 0.8317
Echinococcus granulosus Mitotic checkpoint protein PRCC C terminal 0.0128 0.2185 0.3007
Leishmania major importin beta-1 subunit, putative 0.0027 0.0156 0.104
Brugia malayi photoreceptor-specific nuclear receptor 0.002 0.0025 0.0064
Loa Loa (eye worm) hypothetical protein 0.002 0.0025 0.0037
Schistosoma mansoni RAR-like nuclear receptor 0.002 0.0025 0.0034
Brugia malayi Nuclear hormone receptor family member nhr-3 0.002 0.0025 0.0064
Onchocerca volvulus 0.003 0.0228 0.0459
Trichomonas vaginalis CAMK family protein kinase 0.0093 0.1496 0.3202
Echinococcus granulosus aldehyde dehydrogenase mitochondrial 0.0073 0.1093 0.1504
Echinococcus granulosus importin subunit beta 1 0.0033 0.0281 0.0386
Echinococcus multilocularis beta LACTamase domain containing family member 0.0081 0.1244 0.1712
Echinococcus granulosus GTP binding nuclear protein Ran 0.0024 0.0106 0.0146
Trichomonas vaginalis CAMK family protein kinase 0.0093 0.1496 0.3202
Plasmodium vivax hypothetical protein, conserved 0.0081 0.1244 1
Brugia malayi Nuclear hormone receptor-like 1 0.002 0.0025 0.0064
Brugia malayi nuclear hormone receptor 0.002 0.0025 0.0064
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.003 0.0228 0.0313
Loa Loa (eye worm) hypothetical protein 0.002 0.0025 0.0037
Trichomonas vaginalis CMGC family protein kinase 0.0062 0.0862 0.1742
Echinococcus multilocularis serine:threonine protein kinase PLK1 0.0093 0.1496 0.2059
Echinococcus multilocularis mitogen activated protein kinase 3 0.0062 0.0862 0.1187
Echinococcus multilocularis thyroid hormone receptor alpha 0.0148 0.259 0.3565
Trichomonas vaginalis penicillin-binding protein, putative 0.0081 0.1244 0.2622
Loa Loa (eye worm) nuclear hormone receptor family member nhr-49 0.002 0.0025 0.0037
Onchocerca volvulus 0.0081 0.1244 0.2757
Brugia malayi steroid hormone receptor 0.002 0.0025 0.0064
Schistosoma mansoni nuclear hormone receptor 0.002 0.0025 0.0034
Echinococcus granulosus mitogen activated protein kinase 3 0.0062 0.0862 0.1187
Trypanosoma cruzi GTP-binding nuclear protein rtb2, putative 0.0024 0.0106 0.0709
Brugia malayi Steroid receptor seven-up type 2 0.002 0.0025 0.0064
Schistosoma mansoni hypothetical protein 0.0351 0.668 0.9193
Plasmodium vivax GTP-binding nuclear protein RAN/TC4, putative 0.0024 0.0106 0.0853
Brugia malayi Nuclear hormone receptor family member nhr-19 0.002 0.0025 0.0064
Schistosoma mansoni photoreceptor-specific nuclear receptor related 0.002 0.0025 0.0034
Schistosoma mansoni nuclear receptor 2DBD-gamma 0.002 0.0025 0.0034
Mycobacterium ulcerans fusion of enoyl-CoA hydratase, EchA21 and lipase, LipE 0.0081 0.1244 1
Loa Loa (eye worm) nuclear Hormone Receptor family member 0.002 0.0025 0.0037
Trypanosoma brucei GTP-binding nuclear protein rtb2, putative 0.0024 0.0106 0.0709
Schistosoma mansoni serine/threonine protein kinase 0.0093 0.1496 0.2059
Trypanosoma cruzi mitogen activated protein kinase 2, putative 0.0062 0.0862 0.5764
Trichomonas vaginalis CAMK family protein kinase 0.0093 0.1496 0.3202
Loa Loa (eye worm) hypothetical protein 0.002 0.0025 0.0037
Schistosoma mansoni jumonji/arid domain-containing protein 0.0071 0.1047 0.1441
Trypanosoma brucei mitogen activated protein kinase 4, putative 0.0062 0.0862 0.5764
Brugia malayi jmjC domain containing protein 0.0071 0.1047 0.2712
Leishmania major protein kinase, putative,polo-like protein kinase, putative 0.0093 0.1496 1
Trypanosoma brucei importin beta-1 subunit, putative 0.0033 0.0281 0.1876
Mycobacterium ulcerans lipase LipD 0.0081 0.1244 1
Loa Loa (eye worm) hypothetical protein 0.0081 0.1244 0.1863
Echinococcus granulosus histone lysine methyltransferase setb 0.003 0.0228 0.0313
Loa Loa (eye worm) nuclear hormone receptor family member nhr-31 0.002 0.0025 0.0037
Echinococcus granulosus hepatocyte nuclear factor 4 alpha 0.002 0.0025 0.0034
Brugia malayi Importin beta-1 subunit 0.0033 0.0281 0.0727
Echinococcus granulosus snurportin 1 0.0351 0.668 0.9193
Loa Loa (eye worm) nuclear hormone receptor family member nhr-41 0.002 0.0025 0.0037
Brugia malayi Hypothetical 52.5 kDa protein ZK945.1 in chromosome II, putative 0.0081 0.1244 0.3222
Schistosoma mansoni jumonji domain containing protein 0.0071 0.1047 0.1441
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0095 0.1531 0.2107
Loa Loa (eye worm) nuclear hormone receptor family member nhr-14 0.002 0.0025 0.0037
Brugia malayi beta-lactamase family protein 0.0081 0.1244 0.3222
Mycobacterium tuberculosis Probable esterase/lipase LipP 0.0081 0.1244 0.017
Echinococcus granulosus serine:threonine protein kinase PLK1 0.0093 0.1496 0.2059
Loa Loa (eye worm) nucleolar RNA-associated protein alpha 0.0351 0.668 1
Trypanosoma brucei protein kinase, putative 0.0062 0.0862 0.5764
Loa Loa (eye worm) hypothetical protein 0.0081 0.1244 0.1863
Brugia malayi GTP-binding nuclear protein RAN/TC4 0.0024 0.0106 0.0275
Echinococcus granulosus COUP TF:Svp nuclear hormone receptor 0.002 0.0025 0.0034
Brugia malayi MAP kinase sur-1 0.0062 0.0862 0.2233
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0095 0.1531 0.2107
Entamoeba histolytica serine/threonine protein kinase, putative 0.0093 0.1496 1
Trichomonas vaginalis CAMK family protein kinase 0.0093 0.1496 0.3202
Trichomonas vaginalis importin beta-1, putative 0.0027 0.0156 0.0114
Plasmodium falciparum importin beta, putative 0.0033 0.0281 1
Echinococcus multilocularis mitogen activated protein kinase 0.0062 0.0862 0.1187
Schistosoma mansoni hypothetical protein 0.0128 0.2185 0.3007
Echinococcus multilocularis nuclear receptor 2DBD gamma 0.002 0.0025 0.0034
Schistosoma mansoni ran 0.0024 0.0106 0.0146
Trichomonas vaginalis D-aminoacylase, putative 0.0081 0.1244 0.2622
Mycobacterium tuberculosis Probable lipase LipD 0.0081 0.1244 0.017
Trypanosoma cruzi GTP-binding nuclear protein rtb2, putative 0.0024 0.0106 0.0709
Loa Loa (eye worm) hypothetical protein 0.0081 0.1244 0.1863
Echinococcus multilocularis importin subunit beta 1 0.0033 0.0281 0.0386
Brugia malayi Nuclear hormone receptor family member nhr-49 0.002 0.0025 0.0064
Echinococcus multilocularis Transcription factor, JmjC domain containing protein 0.0071 0.1047 0.1441
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0095 0.1531 0.2107
Giardia lamblia Kinase, PLK 0.0093 0.1496 1
Brugia malayi Nuclear hormone receptor family member nhr-19 0.002 0.0025 0.0064
Echinococcus granulosus FTZ F1 alpha 0.002 0.0025 0.0034
Trichomonas vaginalis Importin beta-1 subunit, putative 0.0027 0.0156 0.0114
Mycobacterium ulcerans hypothetical protein 0.0081 0.1244 1
Mycobacterium leprae conserved hypothetical protein 0.0081 0.1244 0.5
Schistosoma mansoni family S12 unassigned peptidase (S12 family) 0.0081 0.1244 0.1712
Brugia malayi Ligand-binding domain of nuclear hormone receptor family protein 0.002 0.0025 0.0064
Brugia malayi beta-lactamase family protein 0.0081 0.1244 0.3222
Toxoplasma gondii histone lysine methyltransferase SET/SUV39 0.003 0.0228 0.183
Onchocerca volvulus Serine\/threonine kinase homolog 0.0093 0.1496 0.3327
Brugia malayi Pre-SET motif family protein 0.003 0.0228 0.059
Brugia malayi Pre-SET motif family protein 0.0211 0.3861 1
Echinococcus multilocularis FTZ F1 nuclear receptor protein 0.002 0.0025 0.0034
Echinococcus granulosus mitogen activated protein kinase 0.0062 0.0862 0.1187
Leishmania major aldehyde dehydrogenase, mitochondrial precursor 0.0073 0.1093 0.7308
Plasmodium falciparum GTP-binding nuclear protein RAN/TC4 0.0024 0.0106 0.3779
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0095 0.1531 0.2107
Trypanosoma cruzi mitogen activated protein kinase 4, putative 0.0062 0.0862 0.5764
Trypanosoma cruzi hypothetical protein, conserved 0.0081 0.1244 0.8317
Trichomonas vaginalis CAMK family protein kinase 0.0093 0.1496 0.3202
Echinococcus multilocularis GTP binding nuclear protein Ran 0.0024 0.0106 0.0146
Onchocerca volvulus 0.0081 0.1244 0.2757
Loa Loa (eye worm) hypothetical protein 0.002 0.0025 0.0037
Loa Loa (eye worm) PLK/PLK1 protein kinase 0.0093 0.1496 0.2239
Plasmodium vivax SET domain protein, putative 0.003 0.0228 0.183
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.003 0.0228 0.0313
Brugia malayi Nuclear hormone receptor family member nhr-25 0.002 0.0025 0.0064
Echinococcus multilocularis ecdysone induced protein 78C 0.002 0.0025 0.0034
Echinococcus multilocularis nuclear receptor 2DBD gamma 0.002 0.0025 0.0034
Echinococcus multilocularis snurportin 1 0.0351 0.668 0.9193
Echinococcus granulosus retinoic acid receptor rxr beta a 0.002 0.0025 0.0034
Trypanosoma cruzi hypothetical protein, conserved 0.0081 0.1244 0.8317
Mycobacterium tuberculosis Probable esterase LipL 0.0081 0.1244 0.017
Echinococcus granulosus 5'partial|histone lysine N methyltransferase SETDB2 0.0029 0.0205 0.0283
Echinococcus granulosus geminin 0.038 0.7266 1
Schistosoma mansoni thyroid hormone receptor 0.0148 0.259 0.3565
Brugia malayi Nuclear hormone receptor family member nhr-31 0.002 0.0025 0.0064
Plasmodium vivax importin-beta 2, putative 0.0033 0.0281 0.2256
Schistosoma mansoni retinoic acid receptor RXR 0.002 0.0025 0.0034
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.003 0.0228 0.0313
Trichomonas vaginalis CMGC family protein kinase 0.0062 0.0862 0.1742
Trichomonas vaginalis esterase, putative 0.0081 0.1244 0.2622
Loa Loa (eye worm) beta-lactamase 0.0081 0.1244 0.1863
Toxoplasma gondii ABC1 family protein 0.0081 0.1244 1
Toxoplasma gondii GTP-binding nuclear protein ran/tc4 0.0024 0.0106 0.0853
Toxoplasma gondii aldehyde dehydrogenase 0.0073 0.1093 0.8786
Echinococcus multilocularis COUP TF:Svp nuclear hormone receptor 0.002 0.0025 0.0034
Loa Loa (eye worm) GTP-binding regulatory protein Gs alpha-S chain 0.0095 0.1531 0.2292
Schistosoma mansoni aldehyde dehydrogenase 0.0073 0.1093 0.1504
Leishmania major mitogen activated protein kinase 4, putative;with=GeneDB:LmxM19.1440 0.0062 0.0862 0.5764
Brugia malayi RNA, U transporter 1 0.0094 0.15 0.3885
Echinococcus granulosus lysine specific demethylase 5A 0.0071 0.1047 0.1441
Mycobacterium tuberculosis Probable conserved lipoprotein 0.0081 0.1244 0.017
Echinococcus multilocularis histone lysine N methyltransferase SETMAR 0.003 0.0228 0.0313
Mycobacterium tuberculosis Conserved protein 0.0081 0.1244 0.017
Loa Loa (eye worm) hypothetical protein 0.0081 0.1244 0.1863
Schistosoma mansoni kinase 0.0048 0.0579 0.0796
Mycobacterium leprae Probable lipase LipE 0.0081 0.1244 0.5
Loa Loa (eye worm) nuclear hormone receptor family member nhr-1 0.002 0.0025 0.0037
Onchocerca volvulus 0.0081 0.1244 0.2757
Trypanosoma cruzi polo-like protein kinase, putative 0.0093 0.1496 1
Leishmania major mitogen activated protein kinase, putative,map kinase, putative 0.0062 0.0862 0.5764

Activities

Activity type Activity value Assay description Source Reference
Potency (functional) 0.9285 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) 2.6169 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) = 3.5481 um PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of the ERK Signaling Pathway using a Homogeneous Screening Assay; Stimulation with EGF. (Class of assay: confirmatory) [Related pubchem assays: 995 ] ChEMBL. No reference
Potency (functional) = 10 um PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of Human Jumonji Domain Containing 2E (JMJD2E). (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) = 14.1254 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) = 39.8107 um PUBCHEM_BIOASSAY: qHTS Assay for Agonists of the Relaxin Receptor RXFP1. (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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