Detailed information for compound 1343913

Basic information

Technical information
  • TDR Targets ID: 1343913
  • Name: 2-(2,6-dimethylphenyl)-N-(2-methylphenyl)-3-o xo-1,4-dihydropyrido[2,1-c]pyrazin-5-ium-1-ca rboxamide iodide
  • MW: 513.371 | Formula: C24H24IN3O2
  • H donors: 1 H acceptors: 2 LogP: 4.84 Rotable bonds: 4
    Rule of 5 violations (Lipinski): 2
  • SMILES: Cc1ccccc1NC(=O)C1c2cccc[n+]2CC(=O)N1c1c(C)cccc1C.[I-]
  • InChi: 1S/C24H23N3O2.HI/c1-16-9-4-5-12-19(16)25-24(29)23-20-13-6-7-14-26(20)15-21(28)27(23)22-17(2)10-8-11-18(22)3;/h4-14,23H,15H2,1-3H3;1H
  • InChiKey: SEFRJIXLLKUQRM-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

  • 2-(2,6-dimethylphenyl)-N-(o-tolyl)-3-oxo-1,4-dihydropyrido[2,1-c]pyrazin-5-ium-1-carboxamide iodide
  • 2-(2,6-dimethylphenyl)-3-keto-N-(o-tolyl)-1,4-dihydropyrido[2,1-c]pyrazin-5-ium-1-carboxamide iodide
  • MLS000520420
  • SMR000130831

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 euchromatic histone-lysine N-methyltransferase 2 Starlite/ChEMBL No references

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Candida albicans 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
Echinococcus granulosus aldehyde dehydrogenase mitochondrial 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
Leishmania infantum aldehyde dehydrogenase, mitochondrial precursor Get druggable targets OG5_126638 All targets in OG5_126638
Schistosoma japonicum Aldehyde dehydrogenase X, mitochondrial precursor, putative 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
Candida albicans Mitochondrial aldehyde dehydrogenase Get druggable targets OG5_126638 All targets in OG5_126638
Trichomonas vaginalis set domain proteins, putative Get druggable targets OG5_131470 All targets in OG5_131470
Brugia malayi Pre-SET motif family protein Get druggable targets OG5_131470 All targets in OG5_131470
Leishmania donovani aldehyde dehydrogenase, mitochondrial precursor Get druggable targets OG5_126638 All targets in OG5_126638
Mycobacterium ulcerans aldehyde dehydrogenase Get druggable targets OG5_126638 All targets in OG5_126638
Leishmania mexicana aldehyde dehydrogenase, mitochondrial precursor Get druggable targets OG5_126638 All targets in OG5_126638
Onchocerca volvulus Get druggable targets OG5_131470 All targets in OG5_131470
Schistosoma japonicum Retinal dehydrogenase 1, putative 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
Schistosoma mansoni aldehyde dehydrogenase Get druggable targets OG5_126638 All targets in OG5_126638
Mycobacterium ulcerans aldehyde dehydrogenase Get druggable targets OG5_126638 All targets in OG5_126638
Loa Loa (eye worm) pre-SET domain-containing protein family protein Get druggable targets OG5_131470 All targets in OG5_131470
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
Mycobacterium ulcerans aldehyde dehydrogenase Get druggable targets OG5_126638 All targets in OG5_126638
Neospora caninum hypothetical protein Get druggable targets OG5_126638 All targets in OG5_126638
Toxoplasma gondii aldehyde dehydrogenase Get druggable targets OG5_126638 All targets in OG5_126638
Mycobacterium tuberculosis Probable aldehyde dehydrogenase Get druggable targets OG5_126638 All targets in OG5_126638
Leishmania braziliensis aldehyde dehydrogenase, mitochondrial precursor Get druggable targets OG5_126638 All targets in OG5_126638
Leishmania major 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 %
Obtained from network model

Ranking Plot

Putative Targets List

Species Potential target Raw Global Species
Loa Loa (eye worm) phosphatidylinositol 3 0.0045 0.0852 0.1013
Loa Loa (eye worm) hypothetical protein 0.0031 0.053 0.063
Trichomonas vaginalis PIKK family atypical protein kinase 0.0033 0.0575 0.0859
Trichomonas vaginalis PIKK family atypical protein kinase 0.0012 0.0062 0.0093
Brugia malayi Lectin C-type domain containing protein 0.0012 0.0062 0.0045
Loa Loa (eye worm) lectin C-type domain-containing protein 0.0012 0.0062 0.0073
Loa Loa (eye worm) lectin C-type domain-containing protein 0.0012 0.0062 0.0073
Plasmodium vivax SET domain protein, putative 0.0037 0.0659 0.1977
Schistosoma mansoni cellular tumor antigen P53 0.0049 0.096 0.0928
Schistosoma mansoni histone-lysine n-methyltransferase suv9 0.0037 0.0659 0.0626
Toxoplasma gondii target of rapamycin (TOR), putative 0.0033 0.0575 0.2449
Brugia malayi MH1 domain containing protein 0.0024 0.0361 0.0402
Giardia lamblia GTOR 0.0045 0.0852 1
Loa Loa (eye worm) MH1 domain-containing protein 0.0024 0.0361 0.0429
Trichomonas vaginalis PIKK family atypical protein kinase 0.0015 0.0134 0.0201
Toxoplasma gondii histone lysine methyltransferase SET/SUV39 0.0037 0.0659 0.2806
Onchocerca volvulus 0.0048 0.0931 0.1343
Brugia malayi pregnancy-associated plasma protein-A 0.0107 0.2349 0.2772
Trichomonas vaginalis PIKK family atypical protein kinase 0.0024 0.0355 0.053
Toxoplasma gondii rhoptry neck protein RON9 0.0107 0.2349 1
Loa Loa (eye worm) hypothetical protein 0.0012 0.0062 0.0073
Leishmania major apurinic/apyrimidinic endonuclease-redox protein 0.0019 0.0243 0.0769
Brugia malayi hypothetical protein 0.0107 0.2349 0.2772
Schistosoma mansoni hypothetical protein 0.0031 0.053 0.0496
Loa Loa (eye worm) lectin C-type domain-containing protein 0.0012 0.0062 0.0073
Loa Loa (eye worm) pre-SET domain-containing protein family protein 0.0252 0.586 0.6967
Trypanosoma cruzi apurinic/apyrimidinic endonuclease 0.0019 0.0243 0.1511
Schistosoma mansoni hypothetical protein 0.0031 0.053 0.0496
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0037 0.0659 0.0626
Echinococcus multilocularis diuretic hormone 44 receptor GPRdih2 0.0031 0.053 0.0505
Loa Loa (eye worm) hypothetical protein 0.0107 0.2349 0.2793
Loa Loa (eye worm) hypothetical protein 0.0012 0.0062 0.0073
Schistosoma mansoni Galactose-specific lectin (PAL) 0.0012 0.0062 0.0026
Loa Loa (eye worm) hypothetical protein 0.0068 0.1409 0.1675
Brugia malayi Smad1 0.0024 0.0361 0.0402
Loa Loa (eye worm) RNA binding protein 0.0063 0.1294 0.1538
Onchocerca volvulus 0.0012 0.0062 0.0039
Brugia malayi Lectin C-type domain containing protein 0.0012 0.0062 0.0045
Leishmania major target of rapamycin (TOR) kinase 1, putative 0.0045 0.0852 0.5089
Brugia malayi Sushi domain 0.0107 0.2349 0.2772
Brugia malayi Phosphatidylinositol 3- and 4-kinase family protein 0.0015 0.0134 0.0132
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0037 0.0659 0.0626
Trichomonas vaginalis PIKK family atypical protein kinase 0.0033 0.0575 0.0859
Schistosoma mansoni hypothetical protein 0.0031 0.053 0.0496
Trichomonas vaginalis PIKK family atypical protein kinase 0.0045 0.0852 0.1271
Loa Loa (eye worm) hypothetical protein 0.0119 0.2638 0.3136
Echinococcus granulosus tar DNA binding protein 0.0063 0.1294 0.127
Loa Loa (eye worm) phosphatidylinositol 3 0.0015 0.0134 0.016
Loa Loa (eye worm) latrophilin receptor protein 2 0.0031 0.053 0.063
Schistosoma mansoni aldehyde dehydrogenase 0.0073 0.1544 0.1514
Loa Loa (eye worm) hypothetical protein 0.0012 0.0062 0.0073
Echinococcus granulosus cadherin EGF LAG seven pass G type receptor 0.0031 0.053 0.0505
Schistosoma mansoni smad1 5 8 and 0.0024 0.0361 0.0327
Schistosoma mansoni aldehyde dehydrogenase 0.0073 0.1544 0.1514
Echinococcus granulosus mothers against decapentaplegic 5 0.0024 0.0361 0.0335
Trypanosoma cruzi Phosphatidylinositol 3-kinase tor1 0.0045 0.0852 1
Trichomonas vaginalis ap endonuclease, putative 0.0019 0.0243 0.0363
Echinococcus granulosus survival motor neuron protein 1 0.0235 0.5451 0.5439
Trichomonas vaginalis PIKK family atypical protein kinase 0.0033 0.0575 0.0859
Onchocerca volvulus 0.0287 0.6698 1
Schistosoma mansoni hypothetical protein 0.0423 1 1
Brugia malayi RNA recognition motif domain containing protein 0.0063 0.1294 0.1514
Trypanosoma cruzi apurinic/apyrimidinic endonuclease, putative 0.0019 0.0243 0.1511
Echinococcus multilocularis lymphocyte antigen 75 0.0012 0.0062 0.0035
Onchocerca volvulus 0.0037 0.0659 0.0936
Schistosoma mansoni ataxia telangiectasia mutated (atm)-related 0.0045 0.0852 0.0819
Onchocerca volvulus 0.0107 0.2349 0.3472
Brugia malayi hypothetical protein 0.0235 0.5451 0.6471
Trypanosoma brucei apurinic/apyrimidinic endonuclease, putative 0.0019 0.0243 0.1511
Toxoplasma gondii hypothetical protein 0.0012 0.0062 0.0263
Onchocerca volvulus 0.003 0.0491 0.0683
Brugia malayi Lectin C-type domain containing protein 0.0012 0.0062 0.0045
Brugia malayi hypothetical protein 0.0107 0.2349 0.2772
Loa Loa (eye worm) hypothetical protein 0.0107 0.2349 0.2793
Trichomonas vaginalis PIKK family atypical protein kinase 0.0036 0.0631 0.0942
Onchocerca volvulus 0.0107 0.2349 0.3472
Loa Loa (eye worm) hypothetical protein 0.0013 0.0098 0.0117
Schistosoma mansoni cpg binding protein 0.003 0.0491 0.0457
Mycobacterium tuberculosis Probable aldehyde dehydrogenase 0.0073 0.1544 1
Onchocerca volvulus 0.0107 0.2349 0.3472
Leishmania major target of rapamycin (TOR) kinase 2, putative 0.0045 0.0852 0.5089
Echinococcus multilocularis tumor protein p63 0.0336 0.7886 0.7881
Echinococcus granulosus FKBP12 rapamycin complex associated protein 0.0045 0.0852 0.0827
Loa Loa (eye worm) hypothetical protein 0.0107 0.2349 0.2793
Schistosoma mansoni hypothetical protein 0.0048 0.0931 0.0898
Echinococcus granulosus fras1 related extracellular matrix protein 0.0012 0.0062 0.0035
Loa Loa (eye worm) ShTK domain-containing protein 0.0012 0.0062 0.0073
Loa Loa (eye worm) hypothetical protein 0.0107 0.2349 0.2793
Loa Loa (eye worm) hypothetical protein 0.0107 0.2349 0.2793
Schistosoma mansoni subfamily M23B non-peptidase homologue (M23 family) 0.0012 0.0062 0.0026
Brugia malayi Calcitonin receptor-like protein seb-1 0.0099 0.2167 0.2555
Loa Loa (eye worm) pregnancy-associated plasma protein-E 0.0107 0.2349 0.2793
Trichomonas vaginalis PIKK family atypical protein kinase 0.0033 0.0575 0.0859
Trichomonas vaginalis PIKK family atypical protein kinase 0.0024 0.0354 0.0529
Echinococcus granulosus tumor protein p63 0.0336 0.7886 0.7881
Echinococcus multilocularis DNA (apurinic or apyrimidinic site) lyase 0.0019 0.0243 0.0217
Brugia malayi hypothetical protein 0.0012 0.0062 0.0045
Echinococcus granulosus lymphocyte antigen 75 0.0012 0.0062 0.0035
Echinococcus granulosus C type lectin domian containing protein 0.0107 0.2349 0.2328
Onchocerca volvulus 0.0012 0.0062 0.0039
Trichomonas vaginalis set domain proteins, putative 0.0287 0.6698 1
Toxoplasma gondii exonuclease III APE 0.0019 0.0243 0.1034
Loa Loa (eye worm) hypothetical protein 0.0011 0.0036 0.0042
Loa Loa (eye worm) hypothetical protein 0.0012 0.0062 0.0073
Loa Loa (eye worm) histone methyltransferase 0.0011 0.0027 0.0032
Echinococcus granulosus mothers against decapentaplegic 2 0.0011 0.0036 0.0009
Schistosoma mansoni hypothetical protein 0.0031 0.053 0.0496
Loa Loa (eye worm) hypothetical protein 0.0107 0.2349 0.2793
Loa Loa (eye worm) hypothetical protein 0.0107 0.2349 0.2793
Loa Loa (eye worm) MH2 domain-containing protein 0.0011 0.0036 0.0042
Brugia malayi hypothetical protein 0.0107 0.2349 0.2772
Onchocerca volvulus 0.0012 0.0062 0.0039
Brugia malayi hypothetical protein 0.0107 0.2349 0.2772
Brugia malayi Pre-SET motif family protein 0.0252 0.586 0.6958
Loa Loa (eye worm) hypothetical protein 0.0012 0.0062 0.0073
Loa Loa (eye worm) hypothetical protein 0.0012 0.0062 0.0073
Schistosoma mansoni hypothetical protein 0.0012 0.0062 0.0026
Brugia malayi RNA binding protein 0.0063 0.1294 0.1514
Echinococcus multilocularis smad 0.0024 0.0361 0.0335
Loa Loa (eye worm) hypothetical protein 0.0012 0.0062 0.0073
Echinococcus multilocularis dnaJ subfamily B 0.0423 1 1
Trypanosoma brucei FAT domain/Rapamycin binding domain/Phosphatidylinositol 3- and 4-kinase, putative 0.0019 0.0221 0.1204
Schistosoma mansoni tar DNA-binding protein 0.0063 0.1294 0.1263
Brugia malayi Pre-SET motif family protein 0.0037 0.0659 0.0757
Brugia malayi Lectin C-type domain containing protein 0.0012 0.0062 0.0045
Brugia malayi Lectin C-type domain containing protein 0.0012 0.0062 0.0045
Loa Loa (eye worm) exodeoxyribonuclease III family protein 0.0019 0.0243 0.0289
Brugia malayi MH1 domain containing protein 0.0024 0.0361 0.0402
Trichomonas vaginalis PIKK family atypical protein kinase 0.0026 0.0411 0.0614
Trichomonas vaginalis PIKK family atypical protein kinase 0.0015 0.0134 0.0201
Onchocerca volvulus 0.0012 0.0062 0.0039
Trichomonas vaginalis PIKK family atypical protein kinase 0.0036 0.0631 0.0942
Trichomonas vaginalis PIKK family atypical protein kinase 0.0015 0.0134 0.0201
Echinococcus granulosus C type lectin 0.0012 0.0062 0.0035
Toxoplasma gondii rhoptry neck protein RON1 0.0107 0.2349 1
Schistosoma mansoni ap endonuclease 0.0019 0.0243 0.0208
Schistosoma mansoni ap endonuclease 0.0019 0.0243 0.0208
Echinococcus granulosus DNA apurinic or apyrimidinic site lyase 0.0019 0.0243 0.0217
Echinococcus multilocularis histone lysine methyltransferase setb histone lysine methyltransferase eggless 0.0037 0.0659 0.0634
Brugia malayi MH2 domain containing protein 0.0024 0.0361 0.0402
Echinococcus multilocularis GPCR, family 2 0.0031 0.053 0.0505
Trichomonas vaginalis PIKK family atypical protein kinase 0.0033 0.0575 0.0859
Brugia malayi MH2 domain containing protein 0.0011 0.0036 0.0014
Loa Loa (eye worm) hypothetical protein 0.0235 0.5451 0.6481
Echinococcus granulosus smad 0.0024 0.0361 0.0335
Echinococcus multilocularis fras1 related extracellular matrix protein 0.0012 0.0062 0.0035
Echinococcus multilocularis Smad4 0.0024 0.0361 0.0335
Brugia malayi exodeoxyribonuclease III family protein 0.0019 0.0243 0.0261
Schistosoma mansoni hypothetical protein 0.0068 0.1409 0.1378
Loa Loa (eye worm) RNA recognition domain-containing protein domain-containing protein 0.0063 0.1294 0.1538
Mycobacterium ulcerans aldehyde dehydrogenase 0.0073 0.1544 1
Trichomonas vaginalis PIKK family atypical protein kinase 0.0036 0.0631 0.0942
Brugia malayi MH1 domain containing protein 0.0013 0.0098 0.0088
Loa Loa (eye worm) CXXC zinc finger family protein 0.003 0.0491 0.0583
Schistosoma mansoni mixed-lineage leukemia protein mll 0.0064 0.1328 0.1297
Echinococcus granulosus 5'partial|histone lysine N methyltransferase SETDB2 0.0035 0.0611 0.0586
Trichomonas vaginalis ap endonuclease, putative 0.0019 0.0243 0.0363
Echinococcus granulosus aldehyde dehydrogenase mitochondrial 0.0073 0.1544 0.1521
Trichomonas vaginalis PIKK family atypical protein kinase 0.0027 0.0417 0.0623
Trypanosoma brucei phosphatidylinositol 4-kinase, putative 0.0045 0.0852 1
Schistosoma mansoni TGF-beta signal transducer Smad2 0.0024 0.0361 0.0327
Schistosoma mansoni hypothetical protein 0.0175 0.401 0.3988
Loa Loa (eye worm) lectin C-type domain-containing protein 0.0012 0.0062 0.0073
Toxoplasma gondii histone lysine methyltransferase SET1 0.0058 0.1165 0.496
Onchocerca volvulus 0.0107 0.2349 0.3472
Echinococcus multilocularis histone lysine N methyltransferase SETMAR 0.0037 0.0659 0.0634
Loa Loa (eye worm) MH2 domain-containing protein 0.0024 0.0361 0.0429
Schistosoma mansoni hypothetical protein 0.0012 0.0062 0.0026
Trypanosoma brucei Phosphatidylinositol 3-kinase tor1 0.0045 0.0852 1
Brugia malayi Lectin C-type domain containing protein 0.0012 0.0062 0.0045
Loa Loa (eye worm) pigment dispersing factor receptor c 0.0099 0.2167 0.2576
Loa Loa (eye worm) MH1 domain-containing protein 0.0011 0.0036 0.0042
Entamoeba histolytica FKBP-rapamycin associated protein (FRAP), putative 0.0045 0.0852 1
Echinococcus granulosus diuretic hormone 44 receptor GPRdih2 0.0031 0.053 0.0505
Echinococcus multilocularis cadherin EGF LAG seven pass G type receptor 0.0031 0.053 0.0505
Echinococcus granulosus c4b binding protein beta chain 0.0107 0.2349 0.2328
Brugia malayi Iron-sulfur cluster assembly accessory protein 0.0048 0.0931 0.1081
Leishmania major aldehyde dehydrogenase, mitochondrial precursor 0.0073 0.1544 1
Schistosoma mansoni survival motor neuron protein 0.0048 0.0931 0.0898
Mycobacterium ulcerans aldehyde dehydrogenase 0.0073 0.1544 1
Trichomonas vaginalis PIKK family atypical protein kinase 0.0045 0.0852 0.1271
Trichomonas vaginalis PIKK family atypical protein kinase 0.0045 0.0852 0.1271
Onchocerca volvulus 0.0012 0.0062 0.0039
Brugia malayi calcium-independent alpha-latrotoxin receptor 2, putative 0.0031 0.053 0.0604
Onchocerca volvulus 0.0107 0.2349 0.3472
Brugia malayi Phosphatidylinositol 3- and 4-kinase family protein 0.0045 0.0852 0.0987
Schistosoma mansoni tar DNA-binding protein 0.0063 0.1294 0.1263
Schistosoma mansoni smad1 5 8 and 0.0024 0.0361 0.0327
Schistosoma mansoni fras1 related extracellular matrix protein 0.0012 0.0062 0.0026
Loa Loa (eye worm) nuclear factor I 0.0013 0.0098 0.0117
Loa Loa (eye worm) hypothetical protein 0.0049 0.096 0.1142
Echinococcus multilocularis C type lectin 0.0012 0.0062 0.0035
Echinococcus multilocularis aldehyde dehydrogenase, mitochondrial 0.0073 0.1544 0.1521
Echinococcus multilocularis mothers against decapentaplegic 6 0.0011 0.0036 0.0009
Echinococcus granulosus cpg binding protein 0.0031 0.0532 0.0506
Echinococcus multilocularis tar DNA binding protein 0.0063 0.1294 0.127
Echinococcus multilocularis phospholipase A2 receptor 1 0.0012 0.0062 0.0035
Onchocerca volvulus 0.0012 0.0062 0.0039
Trichomonas vaginalis PIKK family atypical protein kinase 0.0027 0.0417 0.0623
Loa Loa (eye worm) MH2 domain-containing protein 0.0358 0.8411 1
Schistosoma mansoni hypothetical protein 0.0012 0.0062 0.0026
Schistosoma mansoni phosphatidylinositol 3-and 4-kinase 0.0015 0.0134 0.0099
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0037 0.0659 0.0626
Loa Loa (eye worm) TAR-binding protein 0.0063 0.1294 0.1538
Trichomonas vaginalis PIKK family atypical protein kinase 0.0036 0.0631 0.0942
Onchocerca volvulus 0.0012 0.0062 0.0039
Brugia malayi MH2 domain containing protein 0.0358 0.8411 1
Onchocerca volvulus 0.0012 0.0062 0.0039
Loa Loa (eye worm) hypothetical protein 0.0012 0.0062 0.0073
Toxoplasma gondii aldehyde dehydrogenase 0.0073 0.1544 0.6573
Echinococcus multilocularis phosphatidylinositol 3 and 4 kinase 0.0015 0.0134 0.0108
Brugia malayi MH1 domain containing protein 0.0013 0.0098 0.0088
Echinococcus multilocularis mothers against decapentaplegic 5 0.0024 0.0361 0.0335
Echinococcus granulosus TGF beta signal transducer SmadC 0.0024 0.0361 0.0335
Onchocerca volvulus 0.0107 0.2349 0.3472
Trichomonas vaginalis PIKK family atypical protein kinase 0.0029 0.0473 0.0706
Trichomonas vaginalis PIKK family atypical protein kinase 0.0015 0.0134 0.0201
Echinococcus multilocularis c4b binding protein beta chain 0.0107 0.2349 0.2328
Brugia malayi hypothetical protein 0.0107 0.2349 0.2772
Brugia malayi hypothetical protein 0.0107 0.2349 0.2772
Loa Loa (eye worm) Smad1 0.0024 0.0361 0.0429
Entamoeba histolytica phosphatidylinositol3-kinaseTor2, putative 0.0045 0.0852 1
Schistosoma mansoni cadherin 0.0012 0.0062 0.0026
Brugia malayi MH2 domain containing protein 0.0024 0.0361 0.0402
Onchocerca volvulus 0.0107 0.2349 0.3472
Schistosoma mansoni cpg binding protein 0.0031 0.0532 0.0498
Loa Loa (eye worm) hypothetical protein 0.0012 0.0062 0.0073
Brugia malayi hypothetical protein 0.0107 0.2349 0.2772
Trichomonas vaginalis PIKK family atypical protein kinase 0.0027 0.0417 0.0623
Trichomonas vaginalis PIKK family atypical protein kinase 0.0033 0.0575 0.0859
Plasmodium falciparum apical sushi protein 0.0107 0.2349 1
Echinococcus multilocularis TGF beta signal transducer SmadC 0.0024 0.0361 0.0335
Echinococcus multilocularis geminin 0.0175 0.401 0.3993
Echinococcus granulosus phosphatidylinositol 3 and 4 kinase 0.0015 0.0134 0.0108
Echinococcus granulosus geminin 0.0175 0.401 0.3993
Trichomonas vaginalis PIKK family atypical protein kinase 0.0033 0.0575 0.0859
Onchocerca volvulus 0.0049 0.096 0.1388
Trichomonas vaginalis PIKK family atypical protein kinase 0.0024 0.0355 0.053
Trypanosoma cruzi Phosphatidylinositol 3-kinase tor2 0.0045 0.0852 1
Echinococcus multilocularis C type lectin domian containing protein 0.0107 0.2349 0.2328
Echinococcus granulosus phospholipase A2 receptor 1 0.0012 0.0062 0.0035
Brugia malayi Lectin C-type domain containing protein 0.0012 0.0062 0.0045
Schistosoma mansoni cpg binding protein 0.0031 0.0532 0.0498
Schistosoma mansoni tar DNA-binding protein 0.0063 0.1294 0.1263
Echinococcus granulosus mothers against decapentaplegic 6 0.0011 0.0036 0.0009
Brugia malayi mothers against decapentaplegic homolog 3 0.0011 0.0036 0.0014
Trichomonas vaginalis PIKK family atypical protein kinase 0.0024 0.0354 0.0529
Echinococcus granulosus GPCR family 2 0.0031 0.053 0.0505
Loa Loa (eye worm) hypothetical protein 0.0099 0.2167 0.2576
Schistosoma mansoni Smad4 0.0024 0.0361 0.0327
Brugia malayi Latrophilin receptor protein 2 0.0031 0.053 0.0604
Leishmania major target of rapamycin kinase (TOR) kinase 3 0.0036 0.0632 0.3528
Trypanosoma cruzi target of rapamycin kinase 3 0.0036 0.0632 0.6934
Loa Loa (eye worm) hypothetical protein 0.0037 0.0659 0.0784
Brugia malayi GCC2 and GCC3 family protein 0.0107 0.2349 0.2772
Treponema pallidum exodeoxyribonuclease (exoA) 0.0019 0.0243 0.5
Schistosoma mansoni tar DNA-binding protein 0.0063 0.1294 0.1263
Trichomonas vaginalis PIKK family atypical protein kinase 0.0024 0.0355 0.053
Loa Loa (eye worm) transcription factor SMAD2 0.0358 0.8411 1
Schistosoma mansoni c4b-binding protein beta chain 0.0107 0.2349 0.2322
Onchocerca volvulus 0.0012 0.0062 0.0039
Trichomonas vaginalis PIKK family atypical protein kinase 0.003 0.0496 0.0741
Mycobacterium ulcerans aldehyde dehydrogenase 0.0073 0.1544 1
Loa Loa (eye worm) hypothetical protein 0.0107 0.2349 0.2793
Trichomonas vaginalis PIKK family atypical protein kinase 0.0038 0.0694 0.1036
Echinococcus multilocularis cpg binding protein 0.0031 0.0532 0.0506
Echinococcus multilocularis mothers against decapentaplegic 2 0.0011 0.0036 0.0009
Trichomonas vaginalis PIKK family atypical protein kinase 0.0036 0.0631 0.0942
Trichomonas vaginalis PIKK family atypical protein kinase 0.0015 0.0134 0.0201
Onchocerca volvulus 0.0107 0.2349 0.3472
Plasmodium vivax apical sushi protein, putative 0.0107 0.2349 1
Schistosoma mansoni tar DNA-binding protein 0.0063 0.1294 0.1263
Schistosoma mansoni smad 0.0024 0.0361 0.0327
Trichomonas vaginalis PIKK family atypical protein kinase 0.0026 0.0411 0.0614
Brugia malayi latrophilin 2 splice variant baaae 0.0068 0.1409 0.1652
Echinococcus granulosus Smad4 0.0024 0.0361 0.0335
Wolbachia endosymbiont of Brugia malayi exonuclease III 0.0019 0.0243 0.5
Trypanosoma brucei target of rapamycin kinase 3, putative 0.0036 0.0632 0.6934
Schistosoma mansoni hypothetical protein 0.0175 0.401 0.3988
Trichomonas vaginalis PIKK family atypical protein kinase 0.0024 0.0354 0.0529
Trichomonas vaginalis PIKK family atypical protein kinase 0.0024 0.0355 0.053
Trypanosoma brucei phosphatidylinositol 3-kinase tor, putative 0.0021 0.0283 0.207
Onchocerca volvulus 0.0107 0.2349 0.3472
Echinococcus multilocularis survival motor neuron protein 1 0.0235 0.5451 0.5439
Onchocerca volvulus 0.0107 0.2349 0.3472
Echinococcus multilocularis FKBP12 rapamycin complex associated protein 0.0045 0.0852 0.0827
Echinococcus granulosus histone lysine methyltransferase setb 0.0037 0.0659 0.0634
Brugia malayi CXXC zinc finger family protein 0.003 0.0491 0.0557
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.0099 0.2167 0.2555
Brugia malayi TAR-binding protein 0.0063 0.1294 0.1514
Schistosoma mansoni smad1 5 8 and 0.0024 0.0361 0.0327

Activities

Activity type Activity value Assay description Source Reference
EC50 (functional) > 99 uM PUBCHEM_BIOASSAY: Dose response confirmation uHTS hits for MazEF TA System activators via a fluorescence-based single-stranded RNase assay counterscreen. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID504720, AID504743] ChEMBL. No reference
EC50 (functional) > 99 uM PUBCHEM_BIOASSAY: Dose response confirmation uHTS hits for MazEF TA System activators via a fluorescence-based single-stranded RNase assay. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID504720, AID504743] ChEMBL. No reference
Potency (functional) 0.1169 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) 5.6234 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) 8.2753 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) = 11.2202 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) = 25.1189 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
Potency (functional) = 28.1838 um PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors Targeting the Menin-MLL Interaction in MLL Related Leukemias: Competition With Fluorescein Labeled MLL-derived Peptide. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) = 31.6228 um PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of Human Jumonji Domain Containing 2E (JMJD2E). (Class of assay: confirmatory) ChEMBL. No reference
Potency (binding) = 31.6228 um PUBCHEM_BIOASSAY: qHTS for Inhibitors of Tau Fibril Formation, Thioflavin T Binding. (Class of assay: confirmatory) [Related pubchem assays: 596 ] ChEMBL. No reference
Potency (functional) 31.6228 uM PubChem BioAssay. qHTS of Trypanosoma Brucei Inhibitors. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) = 44.6684 um PUBCHEM_BIOASSAY: qHTS Assay for the Inhibitors of Schistosoma Mansoni Peroxiredoxins. (Class of assay: confirmatory) [Related pubchem assays: 1011 (Confirmation Concentration-Response Assay for Inhibitors of the Schistosoma mansoni Redox Cascade ), 448 (Schistosoma Mansoni Peroxiredoxins (Prx2) and thioredoxin glutathione reductase (TGR) coupled assay)] ChEMBL. No reference
Potency (functional) 44.6684 uM PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of BAZ2B. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID504391] ChEMBL. No reference
Potency (functional) 47.7548 uM PubChem BioAssay. qHTS Assay to Find Inhibitors of Pin1. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) = 50.1187 um PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of Bacillus subtilis Sfp phosphopantetheinyl transferase (PPTase). (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 50.1187 uM PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of JMJD2A-Tudor Domain. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID504402] ChEMBL. No reference
Potency (functional) 56.2341 uM PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of RanGTP induced Rango (Ran-regulated importin-beta cargo) - Importin beta complex dissociation. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID540262] ChEMBL. No reference
Potency (functional) 56.2341 uM PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of Rango (Ran-regulated importin-beta cargo) - Importin beta complex formation. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID540273] ChEMBL. No reference
Potency (functional) 79.4328 uM PUBCHEM_BIOASSAY: HTS for Inhibitors of HP1-beta Chromodomain Interactions with Methylated Histone Tails. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID488962] ChEMBL. No reference
Potency (functional) 100 uM PUBCHEM_BIOASSAY: qHTS for Inhibitors of Polymerase Iota. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID588623] 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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