Detailed information for compound 414800

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 417.464 | Formula: C22H23N7O2
  • H donors: 3 H acceptors: 4 LogP: 3.77 Rotable bonds: 5
    Rule of 5 violations (Lipinski): 1
  • SMILES: Oc1ccc(c(c1)Nc1cc(NN2CCOCC2)nc(n1)n1cnc2c1cccc2)C
  • InChi: 1S/C22H23N7O2/c1-15-6-7-16(30)12-18(15)24-20-13-21(27-28-8-10-31-11-9-28)26-22(25-20)29-14-23-17-4-2-3-5-19(17)29/h2-7,12-14,30H,8-11H2,1H3,(H2,24,25,26,27)
  • InChiKey: HKZOITOMJYEGPC-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

No synonyms found for this compound

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Homo sapiens LCK proto-oncogene, Src family tyrosine kinase Starlite/ChEMBL References

Predicted pathogen targets for this compound

By orthology
No druggable targets predicted by orthology data
By sequence similarity to non orthologous known druggable targets
No druggable targets predicted by sequence similarity
Obtained from network model

Ranking Plot

Putative Targets List

Species Potential target Raw Global Species
Trichomonas vaginalis D-aminoacylase, putative 0.0035 0.0306 1
Loa Loa (eye worm) hypothetical protein 0.0157 0.1628 0.1627
Echinococcus multilocularis guanine nucleotide binding protein subunit 0.0008 0.0007 0.0007
Echinococcus granulosus tyrosine protein kinase Lyn 0.001 0.0033 0.0033
Schistosoma mansoni GTP-binding protein alpha subunit 0.0008 0.0007 0.0007
Entamoeba histolytica prolyl oligopeptidase family protein 0.0027 0.0215 1
Brugia malayi Nuclear hormone receptor family member nhr-49 0.0012 0.005 0.0048
Brugia malayi hypothetical protein 0.0008 0.0007 0.0006
Echinococcus multilocularis pyruvate kinase 0.0027 0.022 0.022
Loa Loa (eye worm) nuclear Hormone Receptor family member 0.0012 0.005 0.0048
Schistosoma mansoni photoreceptor-specific nuclear receptor related 0.0012 0.005 0.005
Echinococcus multilocularis neutral amino acid transporter A 0.0926 1 1
Echinococcus multilocularis neutral amino acid transporter A 0.0926 1 1
Brugia malayi Nuclear hormone receptor family member nhr-3 0.0012 0.005 0.0048
Onchocerca volvulus 0.0035 0.0306 0.0299
Entamoeba histolytica dipeptidyl-peptidase, putative 0.0027 0.0215 1
Schistosoma mansoni hypothetical protein 0.0197 0.2067 0.2067
Toxoplasma gondii histone lysine methyltransferase SET1 0.0055 0.0518 0.3944
Brugia malayi Nuclear hormone receptor family member nhr-19 0.0012 0.005 0.0048
Mycobacterium tuberculosis Dihydrolipoamide dehydrogenase LpdC (lipoamide reductase (NADH)) (lipoyl dehydrogenase) (dihydrolipoyl dehydrogenase) (diaphoras 0.0117 0.1198 0.1112
Schistosoma mansoni cpg binding protein 0.0029 0.0236 0.0236
Loa Loa (eye worm) glutathione reductase 0.0046 0.0425 0.0424
Loa Loa (eye worm) hypothetical protein 0.0035 0.03 0.0298
Echinococcus multilocularis dipeptidyl aminopeptidaseprotein 0.034 0.3617 0.3617
Treponema pallidum glutamate transporter 0.0411 0.4389 1
Echinococcus granulosus NCK adaptor protein 0.0009 0.002 0.002
Echinococcus multilocularis pyruvate kinase 0.0018 0.0116 0.0116
Loa Loa (eye worm) hypothetical protein 0.0035 0.0306 0.0305
Mycobacterium ulcerans pyruvate kinase 0.0035 0.03 0.3425
Brugia malayi SRC-1 0.001 0.0033 0.0032
Brugia malayi Pyruvate kinase, muscle isozyme 0.0035 0.03 0.0298
Schistosoma mansoni GTP-binding protein (I) alpha-1subunit gnai1 0.0008 0.0007 0.0007
Loa Loa (eye worm) nuclear hormone receptor family member nhr-41 0.0012 0.005 0.0048
Mycobacterium tuberculosis Possible conserved lipoprotein LpqK 0.0035 0.0306 0.0212
Schistosoma mansoni thyroid hormone receptor 0.0012 0.005 0.005
Schistosoma mansoni aldehyde dehydrogenase 0.0071 0.0691 0.0691
Trypanosoma brucei apurinic/apyrimidinic endonuclease, putative 0.0022 0.016 0.0597
Loa Loa (eye worm) hypothetical protein 0.0008 0.0007 0.0006
Echinococcus granulosus pyruvate kinase 0.0018 0.0116 0.0116
Schistosoma mansoni pyruvate kinase 0.0035 0.03 0.03
Trichomonas vaginalis D-aminoacylase, putative 0.0035 0.0306 1
Mycobacterium tuberculosis Probable pyruvate kinase PykA 0.0035 0.03 0.0206
Loa Loa (eye worm) hypothetical protein 0.0035 0.0306 0.0305
Loa Loa (eye worm) hypothetical protein 0.0008 0.0007 0.0006
Schistosoma mansoni GTP-binding protein (I) alpha-2 subunit gnai2 0.0008 0.0007 0.0007
Mycobacterium tuberculosis Probable conserved lipoprotein 0.0035 0.0306 0.0212
Schistosoma mansoni steroid hormone receptor ad4bp 0.0012 0.005 0.005
Schistosoma mansoni GTP-binding protein alpha subunit gna 0.0008 0.0007 0.0007
Onchocerca volvulus Pyruvate kinase homolog 0.0035 0.03 0.0293
Echinococcus multilocularis histone lysine N methyltransferase MLL3 0.0009 0.0019 0.0019
Echinococcus granulosus FTZ F1 alpha 0.0012 0.005 0.005
Trypanosoma cruzi oligopeptidase B-like protein, putative 0.0027 0.0215 0.111
Schistosoma mansoni subfamily S9B unassigned peptidase (S09 family) 0.034 0.3617 0.3617
Mycobacterium ulcerans aldehyde dehydrogenase 0.0071 0.0691 1
Toxoplasma gondii prolyl endopeptidase 0.0027 0.0215 0.111
Echinococcus granulosus guanine nucleotide binding protein G protein 0.0008 0.0007 0.0007
Schistosoma mansoni sodium/dicarboxylate symporter-related 0.0411 0.4389 0.4389
Onchocerca volvulus Prolyl endopeptidase homolog 0.0027 0.0215 0.0207
Trichomonas vaginalis D-aminoacylase, putative 0.0035 0.0306 1
Loa Loa (eye worm) CXXC zinc finger family protein 0.0029 0.0236 0.0235
Brugia malayi exodeoxyribonuclease III family protein 0.0022 0.016 0.0159
Trypanosoma cruzi serine peptidase, clan SC, family S9A-like protein, putative 0.0027 0.0215 0.111
Brugia malayi Guanine nucleotide-binding protein alpha-12 subunit, putative 0.0008 0.0007 0.0006
Schistosoma mansoni pyruvate kinase 0.0018 0.0116 0.0116
Mycobacterium ulcerans protease II (oligopeptidase B), PtrB 0.0027 0.0215 0.1994
Schistosoma mansoni proto-oncogene tyrosine-protein kinase src 0.001 0.0033 0.0033
Echinococcus multilocularis tyrosine protein kinase lyn lyn a protein tyrosine kinase lymphocyte specific protein tyrosine kinase 0.001 0.0033 0.0033
Loa Loa (eye worm) beta-lactamase 0.0035 0.0306 0.0305
Echinococcus multilocularis excitatory amino acid transporter 2 0.0926 1 1
Loa Loa (eye worm) pyruvate kinase-PB 0.0024 0.0186 0.0184
Loa Loa (eye worm) hypothetical protein 0.0024 0.0186 0.0184
Echinococcus granulosus cadherin EGF LAG seven pass G type receptor 0.005 0.0462 0.0462
Echinococcus granulosus pyruvate kinase 0.0018 0.0116 0.0116
Trichomonas vaginalis esterase, putative 0.0035 0.0306 1
Echinococcus granulosus retinoic acid receptor rxr beta a 0.0012 0.005 0.005
Schistosoma mansoni hypothetical protein 0.005 0.0462 0.0462
Trypanosoma cruzi trypanothione reductase, putative 0.0046 0.0425 0.3079
Echinococcus multilocularis thioredoxin glutathione reductase 0.0046 0.0425 0.0425
Mycobacterium ulcerans lipase LipD 0.0035 0.0306 0.3531
Schistosoma mansoni growth factor receptor-bound protein 0.0009 0.002 0.002
Trypanosoma brucei Dipeptidyl-peptidase 8-like, putative 0.0114 0.1164 1
Echinococcus granulosus tyrosine protein kinase Fyn 0.001 0.0033 0.0033
Brugia malayi photoreceptor-specific nuclear receptor 0.0012 0.005 0.0048
Echinococcus multilocularis guanine nucleotide binding protein (G protein) 0.0008 0.0007 0.0007
Brugia malayi G-protein alpha subunit 0.0008 0.0007 0.0006
Trypanosoma brucei prolyl oligopeptidase, putative 0.0027 0.0215 0.111
Plasmodium vivax pyruvate kinase 2, putative 0.0018 0.0116 0.0597
Brugia malayi Nuclear hormone receptor family member nhr-14 0.0012 0.005 0.0048
Schistosoma mansoni trimeric G-protein alpha o subunit 0.0008 0.0007 0.0007
Echinococcus multilocularis acylamino acid releasing enzyme 0.0027 0.0215 0.0215
Echinococcus granulosus tyrosine protein kinase Btk29A 0.001 0.0033 0.0033
Trypanosoma cruzi dipeptidyl-peptidase 8-like serine peptidase 0.0114 0.1164 1
Plasmodium falciparum pyruvate kinase 2 0.0018 0.0116 0.0597
Echinococcus multilocularis Excitatory amino acid transporter 0.0926 1 1
Mycobacterium leprae DIHYDROLIPOAMIDE DEHYDROGENASE LPD (LIPOAMIDE REDUCTASE (NADH)) (LIPOYL DEHYDROGENASE) (DIHYDROLIPOYL DEHYDROGENASE) (DIAPHORASE 0.0117 0.1198 1
Plasmodium vivax hypothetical protein, conserved 0.0027 0.0215 0.3604
Echinococcus granulosus dnaJ subfamily B 0.0412 0.44 0.44
Mycobacterium tuberculosis Conserved protein 0.0035 0.0306 0.0212
Loa Loa (eye worm) sex muscle abnormal protein 5 0.0009 0.002 0.0018
Schistosoma mansoni GTP-binding protein (I) alpha subunit gnai 0.0008 0.0007 0.0007
Toxoplasma gondii exonuclease III APE 0.0022 0.016 0.0597
Loa Loa (eye worm) G protein alpha subunit 3 0.0008 0.0007 0.0006
Giardia lamblia Endonuclease/Exonuclease/phosphatase 0.0022 0.016 0.3131
Echinococcus multilocularis tyrosine protein kinase Btk29A 0.001 0.0033 0.0033
Brugia malayi prolyl oligopeptidase family protein 0.034 0.3617 0.3616
Mycobacterium tuberculosis Conserved protein 0.0035 0.0306 0.0212
Toxoplasma gondii acylaminoacyl-peptidase, putative 0.0027 0.0215 0.111
Mycobacterium tuberculosis Probable aldehyde dehydrogenase 0.0071 0.0691 0.06
Mycobacterium tuberculosis Probable esterase LipL 0.0035 0.0306 0.0212
Echinococcus multilocularis Nuclear hormone receptor family member nhr 41 0.0012 0.005 0.005
Plasmodium falciparum thioredoxin reductase 0.0046 0.0425 1
Schistosoma mansoni dihydrolipoamide dehydrogenase 0.0016 0.0096 0.0096
Trichomonas vaginalis pyruvate kinase, putative 0.0035 0.03 0.9788
Onchocerca volvulus Dipeptidyl peptidase family member 1 homolog 0.034 0.3617 0.3613
Loa Loa (eye worm) SRC-1 0.001 0.0033 0.0032
Leishmania major pyruvate kinase 0.0035 0.03 0.1906
Trypanosoma cruzi apurinic/apyrimidinic endonuclease, putative 0.0022 0.016 0.0597
Schistosoma mansoni nuclear hormone receptor 0.0012 0.005 0.005
Brugia malayi Nuclear hormone receptor family member nhr-31 0.0012 0.005 0.0048
Toxoplasma gondii thioredoxin reductase 0.0046 0.0425 0.3079
Echinococcus granulosus nuclear receptor 2DBD gamma 0.0012 0.005 0.005
Echinococcus granulosus c src tyrosine kinase 0.001 0.0033 0.0033
Mycobacterium tuberculosis Probable hydrolase 0.0035 0.0306 0.0212
Echinococcus granulosus ecdysone induced protein 78C 0.0012 0.005 0.005
Echinococcus multilocularis diuretic hormone 44 receptor GPRdih2 0.005 0.0462 0.0462
Brugia malayi Ligand-binding domain of nuclear hormone receptor family protein 0.0012 0.005 0.0048
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0183 0.1915 0.1915
Echinococcus granulosus tyrosine protein kinase Src64B 0.001 0.0033 0.0033
Loa Loa (eye worm) hypothetical protein 0.0012 0.005 0.0048
Leishmania major oligopeptidase B-like protein,serine peptidase, clan SC, family S9A-like protein 0.0027 0.0215 0.111
Mycobacterium ulcerans fusion of enoyl-CoA hydratase, EchA21 and lipase, LipE 0.0035 0.0306 0.3531
Echinococcus multilocularis tyrosine protein kinase Fyn 0.001 0.0033 0.0033
Echinococcus multilocularis cpg binding protein 0.0031 0.0254 0.0254
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0183 0.1915 0.1915
Mycobacterium ulcerans exodeoxyribonuclease III protein XthA 0.0022 0.016 0.1072
Echinococcus granulosus microtubule associated protein 2 0.0803 0.866 0.866
Echinococcus multilocularis pyruvate kinase 0.0035 0.03 0.03
Schistosoma mansoni thyroid hormone receptor 0.0012 0.005 0.005
Echinococcus granulosus proto oncogene tyrosine protein kinase LCK 0.001 0.0033 0.0033
Schistosoma mansoni FTZ-F1 nuclear receptor-like protein 0.0012 0.005 0.005
Echinococcus granulosus excitatory amino acid transporter 3 0.0926 1 1
Mycobacterium tuberculosis NADPH-dependent mycothiol reductase Mtr 0.0046 0.0425 0.0332
Loa Loa (eye worm) thioredoxin reductase 0.0046 0.0425 0.0424
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0183 0.1915 0.1915
Trypanosoma brucei Alpha/beta hydrolase domain-containing protein 0.0027 0.0215 0.111
Mycobacterium tuberculosis Probable protease II PtrBb [second part] (oligopeptidase B) 0.0027 0.0215 0.012
Echinococcus multilocularis ecdysone induced protein 78C 0.0012 0.005 0.005
Loa Loa (eye worm) nuclear hormone receptor family member nhr-14 0.0012 0.005 0.0048
Brugia malayi Thioredoxin reductase 0.0046 0.0425 0.0424
Mycobacterium ulcerans esterase/lipase LipP 0.0035 0.0306 0.3531
Brugia malayi Nuclear hormone receptor family member nhr-41 0.0012 0.005 0.0048
Echinococcus granulosus cpg binding protein 0.0031 0.0254 0.0254
Trypanosoma brucei hypothetical protein, conserved 0.0035 0.0306 0.1965
Echinococcus granulosus gtp binding protein I alpha 1subunit 0.0008 0.0007 0.0007
Echinococcus granulosus aldehyde dehydrogenase mitochondrial 0.0071 0.0691 0.0691
Loa Loa (eye worm) hypothetical protein 0.0035 0.0306 0.0305
Schistosoma mansoni sodium/dicarboxylate symporter-related 0.0411 0.4389 0.4389
Mycobacterium tuberculosis Probable peptidase 0.0027 0.0215 0.012
Trichomonas vaginalis conserved hypothetical protein 0.0027 0.0215 0.694
Leishmania major hypothetical protein, conserved 0.0035 0.0306 0.1965
Brugia malayi Guanine nucleotide-binding protein alpha-3 subunit, putative 0.0008 0.0007 0.0006
Echinococcus multilocularis Dipeptidyl peptidase 9 0.0114 0.1164 0.1164
Giardia lamblia Pyruvate kinase 0.0035 0.03 1
Schistosoma mansoni tyrosine kinase 0.001 0.0033 0.0033
Loa Loa (eye worm) pyruvate kinase 0.0035 0.03 0.0298
Schistosoma mansoni GTP-binding protein (q) alpha-11 subunit gna11 0.0008 0.0007 0.0007
Trypanosoma brucei serine peptidase, clan SC, family S9A-like protein 0.0027 0.0215 0.111
Mycobacterium leprae conserved hypothetical protein 0.0035 0.0306 0.093
Echinococcus multilocularis growth factor receptor bound protein 2 0.0009 0.002 0.002
Schistosoma mansoni aldehyde dehydrogenase 0.0071 0.0691 0.0691
Leishmania major pyruvate kinase 0.0035 0.03 0.1906
Mycobacterium ulcerans hypothetical protein 0.0035 0.0306 0.3531
Loa Loa (eye worm) follicle stimulating hormone receptor 0.0243 0.2566 0.2565
Brugia malayi glutathione reductase 0.0046 0.0425 0.0424
Echinococcus granulosus tyrosine protein kinase Fyn 0.001 0.0033 0.0033
Echinococcus multilocularis dnaJ subfamily B 0.0412 0.44 0.44
Onchocerca volvulus Protein ultraspiracle homolog 0.0012 0.005 0.0042
Trypanosoma cruzi pyruvate kinase 2, putative 0.0035 0.03 0.1906
Loa Loa (eye worm) hypothetical protein 0.0107 0.1088 0.1087
Entamoeba histolytica dipeptidyl-peptidase, putative 0.0027 0.0215 1
Loa Loa (eye worm) GTP-binding regulatory protein Gs alpha-S chain 0.0183 0.1915 0.1913
Treponema pallidum exodeoxyribonuclease (exoA) 0.0022 0.016 0.0148
Trypanosoma cruzi oligopeptidase b 0.0027 0.0215 0.111
Echinococcus multilocularis pyruvate kinase 0.0018 0.0116 0.0116
Trypanosoma cruzi hypothetical protein, conserved 0.0027 0.0215 0.111
Toxoplasma gondii aldehyde dehydrogenase 0.0071 0.0691 0.5565
Loa Loa (eye worm) beta-LACTamase domain containing family member 0.0035 0.0306 0.0305
Echinococcus multilocularis tyrosine protein kinase lyn tyrosine protein kinase blk 0.001 0.0033 0.0033
Echinococcus granulosus pyruvate kinase 0.0035 0.03 0.03
Echinococcus multilocularis expressed protein 0.0008 0.0007 0.0007
Brugia malayi Variant SH3 domain containing protein 0.0009 0.002 0.0018
Echinococcus multilocularis NCK adaptor protein 0.0009 0.002 0.002
Leishmania major oligopeptidase b 0.0027 0.0215 0.111
Echinococcus granulosus tyrosine protein kinase Fyn 0.001 0.0033 0.0033
Trypanosoma brucei oligopeptidase b 0.0027 0.0215 0.111
Trichomonas vaginalis ap endonuclease, putative 0.0022 0.016 0.5106
Entamoeba histolytica exodeoxyribonuclease III, putative 0.0022 0.016 0.7358
Schistosoma mansoni hypothetical protein 0.0107 0.1088 0.1088
Trypanosoma cruzi hypothetical protein, conserved 0.0035 0.0306 0.1965
Toxoplasma gondii pyruvate kinase PyK1 0.0035 0.03 0.1906
Echinococcus multilocularis pyruvate kinase 0.0035 0.03 0.03
Leishmania major aldehyde dehydrogenase, mitochondrial precursor 0.0071 0.0691 0.5565
Mycobacterium tuberculosis Probable nitrite reductase [NAD(P)H] large subunit [FAD flavoprotein] NirB 0.0106 0.107 0.0983
Brugia malayi Tyrosine-protein kinase abl-1 0.001 0.0033 0.0032
Plasmodium vivax thioredoxin reductase, putative 0.0046 0.0425 1
Loa Loa (eye worm) hypothetical protein 0.0012 0.005 0.0048
Mycobacterium tuberculosis Putative ferredoxin reductase 0.0106 0.107 0.0983
Echinococcus granulosus histone lysine N methyltransferase MLL3 0.0009 0.0019 0.0019
Echinococcus granulosus thioredoxin glutathione reductase 0.0046 0.0425 0.0425
Plasmodium falciparum AP endonuclease (DNA-[apurinic or apyrimidinic site] lyase), putative 0.0022 0.016 0.1938
Echinococcus multilocularis guanine nucleotide binding protein (G protein) 0.0008 0.0007 0.0007
Schistosoma mansoni prolyl oligopeptidase (S09 family) 0.0027 0.0215 0.0215
Brugia malayi Nuclear hormone receptor family member nhr-19 0.0012 0.005 0.0048
Loa Loa (eye worm) hypothetical protein 0.0012 0.005 0.0048
Echinococcus granulosus pyruvate kinase 0.0018 0.0116 0.0116
Echinococcus granulosus geminin 0.0197 0.2067 0.2067
Echinococcus multilocularis tyrosine protein kinase Src64B 0.001 0.0033 0.0033
Brugia malayi follicle stimulating hormone receptor 0.0243 0.2566 0.2565
Onchocerca volvulus 0.0029 0.0236 0.0229
Entamoeba histolytica prolyl oligopeptidase family protein 0.0027 0.0215 1
Echinococcus granulosus 3'partial|tyrosine protein kinase Fgr 0.001 0.0033 0.0033
Toxoplasma gondii dipeptidyl peptidase iv (dpp iv) n-terminal region domain-containing protein 0.0114 0.1164 1
Chlamydia trachomatis neutral amino acid transporter 0.0411 0.4389 0.4334
Echinococcus multilocularis sodium:dicarboxylate symporter 0.0926 1 1
Trichomonas vaginalis glutathione reductase, putative 0.0016 0.0096 0.2972
Leishmania major prolyl oligopeptidase, putative,serine peptidase clan SC, family S9A, putative 0.0027 0.0215 0.111
Schistosoma mansoni hypothetical protein 0.0412 0.44 0.44
Echinococcus multilocularis prolyl endopeptidase 0.0027 0.0215 0.0215
Echinococcus multilocularis FTZ F1 nuclear receptor protein 0.0012 0.005 0.005
Brugia malayi guanine nucleotide-binding protein alpha-3 subunit, putative 0.0008 0.0007 0.0006
Mycobacterium leprae PROBABLE NADH DEHYDROGENASE NDH 0.0106 0.107 0.8697
Schistosoma mansoni hypothetical protein 0.005 0.0462 0.0462
Trichomonas vaginalis penicillin-binding protein, putative 0.0035 0.0306 1
Echinococcus multilocularis neutral amino acid transporter A 0.0926 1 1
Loa Loa (eye worm) hypothetical protein 0.0012 0.005 0.0048
Echinococcus multilocularis tyrosine protein kinase Fyn 0.001 0.0033 0.0033
Leishmania major trypanothione reductase 0.0046 0.0425 0.3079
Schistosoma mansoni mixed-lineage leukemia protein mll 0.0061 0.0589 0.0589
Trichomonas vaginalis penicillin-binding protein, putative 0.0035 0.0306 1
Trypanosoma cruzi oligopeptidase b 0.0027 0.0215 0.111
Schistosoma mansoni solute carrier family 1 (glial high affinity glutamate transporter 0.0926 1 1
Schistosoma mansoni nck2/grb4 0.0009 0.002 0.002
Brugia malayi prolyl oligopeptidase family protein 0.0027 0.0215 0.0213
Echinococcus granulosus expressed protein 0.0008 0.0007 0.0007
Brugia malayi Calcitonin receptor-like protein seb-1 0.0157 0.1628 0.1627
Echinococcus granulosus tyrosine protein kinase Src42A 0.001 0.0033 0.0033
Loa Loa (eye worm) nuclear hormone receptor family member nhr-49 0.0012 0.005 0.0048
Loa Loa (eye worm) hypothetical protein 0.0009 0.002 0.0018
Trypanosoma brucei pyruvate kinase 1 0.0035 0.03 0.1906
Loa Loa (eye worm) nuclear hormone receptor family member nhr-40 0.0012 0.005 0.0048
Loa Loa (eye worm) variant SH3 domain-containing protein 0.0009 0.002 0.0018
Echinococcus multilocularis excitatory amino acid transporter 2 0.0926 1 1
Echinococcus granulosus nuclear receptor 2DBD gamma 0.0012 0.005 0.005
Mycobacterium tuberculosis Probable membrane NADH dehydrogenase NdhA 0.0106 0.107 0.0983
Brugia malayi Pyruvate kinase, alpha/beta domain containing protein 0.0011 0.0036 0.0035
Echinococcus granulosus Nuclear hormone receptor family member nhr 41 0.0012 0.005 0.005
Mycobacterium tuberculosis Probable NADH dehydrogenase Ndh 0.0106 0.107 0.0983
Brugia malayi prolyl oligopeptidase family protein 0.0114 0.1164 0.1163
Schistosoma mansoni dipeptidyl-peptidase 9 (S09 family) 0.0114 0.1164 0.1164
Echinococcus multilocularis dihydrolipoamide dehydrogenase 0.0016 0.0096 0.0096
Brugia malayi Pyridine nucleotide-disulphide oxidoreductase, dimerisation domain containing protein 0.0012 0.005 0.0048
Plasmodium falciparum peptidase, putative 0.0027 0.0215 0.3604
Schistosoma mansoni hypothetical protein 0.005 0.0462 0.0462
Leishmania major apurinic/apyrimidinic endonuclease-redox protein 0.0022 0.016 0.0597
Brugia malayi beta-lactamase 0.0035 0.0306 0.0305
Echinococcus granulosus beta LACTamase domain containing family member 0.0035 0.0306 0.0306
Trichomonas vaginalis ap endonuclease, putative 0.0022 0.016 0.5106
Trypanosoma cruzi prolyl endopeptidase 0.0027 0.0215 0.111
Schistosoma mansoni cpg binding protein 0.0031 0.0254 0.0254
Brugia malayi nuclear hormone receptor 0.0012 0.005 0.0048
Wolbachia endosymbiont of Brugia malayi Na+/H+-dicarboxylate symporter 0.0926 1 1
Schistosoma mansoni GTP-binding protein (I) alpha-2 subunit gnai2 0.0008 0.0007 0.0007
Echinococcus granulosus FTZ F1 nuclear receptor protein 0.0012 0.005 0.005
Echinococcus multilocularis neuropeptide s receptor 0.0454 0.4861 0.4861
Echinococcus multilocularis beta LACTamase domain containing family member 0.0035 0.0306 0.0306
Schistosoma mansoni family S12 unassigned peptidase (S12 family) 0.0035 0.0306 0.0306
Trichomonas vaginalis pyruvate kinase, putative 0.0035 0.03 0.9788
Brugia malayi F/Y-rich N-terminus family protein 0.0009 0.0018 0.0016
Brugia malayi latrophilin 2 splice variant baaae 0.0107 0.1088 0.1087
Echinococcus granulosus excitatory amino acid transporter 2 0.0926 1 1
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0183 0.1915 0.1915
Trypanosoma brucei serine peptidase, Clan SC, Family S9B 0.0114 0.1164 1
Brugia malayi dihydrolipoyl dehydrogenase, mitochondrial precursor, putative 0.0016 0.0096 0.0095
Echinococcus granulosus neuropeptide receptor A26 0.0454 0.4861 0.4861
Echinococcus granulosus excitatory amino acid transporter 2 0.0926 1 1
Loa Loa (eye worm) hypothetical protein 0.0027 0.0215 0.0213
Echinococcus granulosus guanine nucleotide binding protein subunit 0.0008 0.0007 0.0007
Brugia malayi guanine nucleotide-binding protein G(o), alpha subunit, putative 0.0008 0.0007 0.0006
Toxoplasma gondii pyruvate kinase PyKII 0.0018 0.0116 0.0184
Brugia malayi Nuclear hormone receptor-like 1 0.0012 0.005 0.0048
Brugia malayi Nuclear hormone receptor family member nhr-40 0.0012 0.005 0.0048
Echinococcus multilocularis c src tyrosine kinase 0.001 0.0033 0.0033
Brugia malayi GTP-binding regulatory protein alpha chain - starfish, putative 0.0008 0.0007 0.0006
Schistosoma mansoni GTP-binding protein (I) alpha-1subunit gnai1 0.0008 0.0007 0.0007
Brugia malayi prolyl oligopeptidase family protein 0.0027 0.0215 0.0213
Echinococcus multilocularis nuclear receptor 2DBD gamma 0.0012 0.005 0.005
Echinococcus multilocularis COUP TF:Svp nuclear hormone receptor 0.0012 0.005 0.005
Echinococcus multilocularis sodium:dicarboxylate symporter 0.0411 0.4389 0.4389
Echinococcus multilocularis FTZ F1 alpha 0.0012 0.005 0.005
Brugia malayi guanine nucleotide-binding protein alpha-7 subunit, putative 0.0008 0.0007 0.0006
Schistosoma mansoni proto-oncogene tyrosine-protein kinase abl1 0.0009 0.002 0.002
Loa Loa (eye worm) guanine nucleotide-binding protein alpha-6 subunit 0.0008 0.0007 0.0006
Echinococcus multilocularis DNA (apurinic or apyrimidinic site) lyase 0.0022 0.016 0.016
Loa Loa (eye worm) hypothetical protein 0.0027 0.0215 0.0213
Giardia lamblia Pyruvate kinase 0.0018 0.0116 0.0964
Loa Loa (eye worm) heterotrimeric G protein alpha subunit 0.0008 0.0007 0.0006
Schistosoma mansoni microtubule-associated protein tau 0.0803 0.866 0.866
Echinococcus multilocularis Excitatory amino acid transporter 0.0926 1 1
Echinococcus granulosus guanine nucleotide binding protein G protein 0.0008 0.0007 0.0007
Mycobacterium tuberculosis Probable C4-dicarboxylate-transport transmembrane protein DctA 0.0926 1 1
Brugia malayi Nuclear hormone receptor family member nhr-1 0.0012 0.005 0.0048
Plasmodium vivax hypothetical protein, conserved 0.0035 0.0306 0.6383
Brugia malayi guanine nucleotide-binding protein G-o protein alpha subunit 0.0008 0.0007 0.0006
Loa Loa (eye worm) hypothetical protein 0.0008 0.0007 0.0006
Mycobacterium ulcerans aldehyde dehydrogenase 0.0071 0.0691 1
Trypanosoma cruzi hypothetical protein, conserved 0.0035 0.0306 0.1965
Brugia malayi ecdysteroid receptor 0.0012 0.005 0.0048
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0183 0.1915 0.1915
Echinococcus multilocularis gtp binding protein (I) alpha 1subunit 0.0008 0.0007 0.0007
Schistosoma mansoni hypothetical protein 0.0197 0.2067 0.2067
Brugia malayi Steroid receptor seven-up type 2 0.0012 0.005 0.0048
Echinococcus multilocularis tyrosine protein kinase Src42A 0.001 0.0033 0.0033
Echinococcus granulosus COUP TF:Svp nuclear hormone receptor 0.0012 0.005 0.005
Trypanosoma brucei pyruvate kinase 1, putative 0.0035 0.03 0.1906
Mycobacterium tuberculosis Conserved protein 0.0035 0.0306 0.0212
Entamoeba histolytica prolyl oligopeptidase family protein 0.0027 0.0215 1
Trypanosoma cruzi serine peptidase, Clan SC, Family S9B 0.0114 0.1164 1
Echinococcus granulosus DNA apurinic or apyrimidinic site lyase 0.0022 0.016 0.016
Echinococcus multilocularis aldehyde dehydrogenase, mitochondrial 0.0071 0.0691 0.0691
Echinococcus granulosus neutral amino acid transporter 0.0926 1 1
Trypanosoma brucei prolyl endopeptidase 0.0027 0.0215 0.111
Echinococcus multilocularis neuropeptide receptor A26 0.0454 0.4861 0.4861
Loa Loa (eye worm) prolyl oligopeptidase 0.034 0.3617 0.3616
Brugia malayi Pyruvate kinase, M2 isozyme 0.0035 0.03 0.0298
Schistosoma mansoni ap endonuclease 0.0022 0.016 0.016
Brugia malayi Guanine nucleotide-binding protein alpha-3 subunit, putative 0.0008 0.0007 0.0006
Mycobacterium tuberculosis Probable dehydrogenase 0.0106 0.107 0.0983
Loa Loa (eye worm) hypothetical protein 0.0012 0.005 0.0048
Brugia malayi Nuclear hormone receptor family member nhr-25 0.0012 0.005 0.0048
Schistosoma mansoni acylaminoacyl-peptidase (S09 family) 0.0027 0.0215 0.0215
Loa Loa (eye worm) hypothetical protein 0.0012 0.005 0.0048
Schistosoma mansoni prolyl oligopeptidase (S09 family) 0.0027 0.0215 0.0215
Brugia malayi prolyl oligopeptidase family protein 0.0027 0.0215 0.0213
Schistosoma mansoni growth factor receptor-bound protein 0.0009 0.002 0.002
Loa Loa (eye worm) hypothetical protein 0.0008 0.0007 0.0006
Echinococcus multilocularis microtubule associated protein 2 0.0803 0.866 0.866
Loa Loa (eye worm) histone methyltransferase 0.0009 0.0019 0.0018
Schistosoma mansoni GTP-binding protein (I) alpha-2 subunit gnai2 0.0008 0.0007 0.0007
Schistosoma mansoni retinoid-x-receptor (RXR) 0.0012 0.005 0.005
Echinococcus multilocularis cadherin EGF LAG seven pass G type receptor 0.005 0.0462 0.0462
Mycobacterium tuberculosis Possible penicillin-binding protein 0.0226 0.2377 0.2303
Loa Loa (eye worm) hypothetical protein 0.005 0.0462 0.046
Brugia malayi beta-lactamase family protein 0.0035 0.0306 0.0305
Brugia malayi steroid hormone receptor 0.0012 0.005 0.0048
Mycobacterium tuberculosis NAD(P)H quinone reductase LpdA 0.0117 0.1198 0.1112
Brugia malayi GTP-binding regulatory protein Gs alpha-S chain, putative 0.0183 0.1915 0.1913
Mycobacterium tuberculosis Probable lipase LipD 0.0035 0.0306 0.0212
Chlamydia trachomatis pyruvate kinase 0.0035 0.03 0.0206
Echinococcus granulosus dipeptidyl aminopeptidaseprotein 0.034 0.3617 0.3617
Echinococcus multilocularis nuclear receptor 2DBD gamma 0.0012 0.005 0.005
Echinococcus granulosus Excitatory amino acid transporter 0.0926 1 1
Schistosoma mansoni adapter molecule crk 0.0009 0.002 0.002
Schistosoma mansoni prolyl oligopeptidase (S09 family) 0.0027 0.0215 0.0215
Trichomonas vaginalis Clan SC, family S9, acylaminoacyl-peptidase-like serine peptidase 0.0027 0.0215 0.694
Loa Loa (eye worm) pyruvate kinase 0.0035 0.03 0.0298
Mycobacterium ulcerans beta-lactamase 0.0035 0.0306 0.3531
Brugia malayi Hypothetical 52.5 kDa protein ZK945.1 in chromosome II, putative 0.0035 0.0306 0.0305
Echinococcus granulosus hepatocyte nuclear factor 4 alpha 0.0012 0.005 0.005
Giardia lamblia Alanyl dipeptidyl peptidase 0.0027 0.0215 0.5821
Trichomonas vaginalis Clan SC, family S33, methylesterase-like serine peptidase 0.0027 0.0215 0.694
Echinococcus multilocularis hepatocyte nuclear factor 4 alpha 0.0012 0.005 0.005
Echinococcus multilocularis tyrosine protein kinase Fyn 0.001 0.0033 0.0033
Giardia lamblia Alanyl dipeptidyl peptidase 0.0027 0.0215 0.5821
Loa Loa (eye worm) hypothetical protein 0.0012 0.005 0.0048
Loa Loa (eye worm) guanine nucleotide-binding protein alpha-12 subunit 0.0008 0.0007 0.0006
Schistosoma mansoni nuclear hormone receptor nor-1/nor-2 0.0012 0.005 0.005
Plasmodium vivax pyruvate kinase, putative 0.0035 0.03 0.6191
Loa Loa (eye worm) excitatory amino acid transporter 0.0926 1 1
Leishmania major dipeptidyl-peptidase 8-like serine peptidase, putative,serine peptidase, Clan SC, Family S9B 0.0114 0.1164 1
Wolbachia endosymbiont of Brugia malayi exonuclease III 0.0022 0.016 0.0064
Loa Loa (eye worm) pigment dispersing factor receptor c 0.0157 0.1628 0.1627
Schistosoma mansoni RAR-like nuclear receptor 0.0012 0.005 0.005
Echinococcus granulosus prolyl endopeptidase 0.0027 0.0215 0.0215
Loa Loa (eye worm) nuclear hormone receptor family member nhr-31 0.0012 0.005 0.0048
Entamoeba histolytica hypothetical protein, conserved 0.0027 0.0215 1
Plasmodium falciparum pyruvate kinase 0.0035 0.03 0.6191
Schistosoma mansoni retinoic acid receptor RXR 0.0012 0.005 0.005
Onchocerca volvulus 0.0035 0.0306 0.0299
Trypanosoma cruzi pyruvate kinase 2, putative 0.0035 0.03 0.1906
Mycobacterium leprae Probable lipase LipE 0.0035 0.0306 0.093
Mycobacterium tuberculosis Probable esterase/lipase LipP 0.0035 0.0306 0.0212
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0183 0.1915 0.1915
Treponema pallidum glutamate/aspartate transporter 0.0411 0.4389 1
Echinococcus multilocularis thyroid hormone receptor alpha 0.0012 0.005 0.005
Brugia malayi Guanine nucleotide-binding protein alpha-6 subunit, putative 0.0008 0.0007 0.0006
Loa Loa (eye worm) prolyl oligopeptidase 0.0027 0.0215 0.0213
Echinococcus multilocularis excitatory amino acid transporter 3 0.0926 1 1
Schistosoma mansoni cpg binding protein 0.0031 0.0254 0.0254
Loa Loa (eye worm) hypothetical protein 0.0012 0.005 0.0048
Schistosoma mansoni ap endonuclease 0.0022 0.016 0.016
Chlamydia trachomatis glutamate symporter 0.0926 1 1
Echinococcus multilocularis geminin 0.0197 0.2067 0.2067
Loa Loa (eye worm) GTP-binding regulatory protein alpha chain 0.0008 0.0007 0.0006
Echinococcus granulosus neutral amino acid transporter A 0.0926 1 1
Echinococcus granulosus Dipeptidyl peptidase 9 0.0114 0.1164 0.1164
Mycobacterium tuberculosis Probable reductase 0.0106 0.107 0.0983
Loa Loa (eye worm) exodeoxyribonuclease III family protein 0.0022 0.016 0.0159
Schistosoma mansoni family S12 unassigned peptidase (S12 family) 0.0035 0.0306 0.0306
Loa Loa (eye worm) hypothetical protein 0.0027 0.0215 0.0213
Plasmodium vivax glutathione reductase, putative 0.0046 0.0425 1
Mycobacterium tuberculosis Probable lipase LipE 0.0035 0.0306 0.0212
Entamoeba histolytica pyruvate kinase, putative 0.0024 0.0186 0.8587
Echinococcus granulosus Excitatory amino acid transporter 0.0926 1 1
Echinococcus multilocularis neutral amino acid transporter excitatory amino acid transporter 0.0411 0.4389 0.4389
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.0157 0.1628 0.1627
Schistosoma mansoni tyrosine kinase 0.001 0.0033 0.0033
Brugia malayi Ligand-binding domain of nuclear hormone receptor family protein 0.0012 0.005 0.0048
Plasmodium falciparum glutathione reductase 0.0046 0.0425 1
Brugia malayi Latrophilin receptor protein 2 0.005 0.0462 0.046
Schistosoma mansoni Tr4/Tr2 (homologue) 0.0012 0.005 0.005
Brugia malayi CXXC zinc finger family protein 0.0029 0.0236 0.0235
Echinococcus granulosus guanine nucleotide binding protein subunit 0.0008 0.0007 0.0007
Echinococcus multilocularis GPCR, family 2 0.005 0.0462 0.0462
Onchocerca volvulus Steroid hormone receptor family member cnr14 homolog 0.0012 0.005 0.0042
Schistosoma mansoni nuclear receptor 2DBD-gamma 0.0012 0.005 0.005
Brugia malayi Variant SH3 domain containing protein 0.0009 0.002 0.0018
Brugia malayi alpha keto acid dehydrogenase complex, E3 component, lipoamide dehydrogenase 0.0012 0.005 0.0048
Onchocerca volvulus Pyruvate kinase homolog 0.0035 0.03 0.0293
Loa Loa (eye worm) hypothetical protein 0.0035 0.0306 0.0305
Mycobacterium tuberculosis Probable exodeoxyribonuclease III protein XthA (exonuclease III) (EXO III) (AP endonuclease VI) 0.0022 0.016 0.0064
Trichomonas vaginalis mercuric reductase, putative 0.0016 0.0096 0.2972
Brugia malayi hypothetical protein 0.0087 0.0871 0.087
Toxoplasma gondii ABC1 family protein 0.0035 0.0306 0.1965
Brugia malayi calcium-independent alpha-latrotoxin receptor 2, putative 0.005 0.0462 0.046
Echinococcus multilocularis tyrosine protein kinase Abl 0.001 0.0033 0.0033
Echinococcus granulosus sodium:dicarboxylate symporter 0.0926 1 1
Brugia malayi nuclear receptor NHR-88 0.0012 0.005 0.0048
Loa Loa (eye worm) hypothetical protein 0.0035 0.0306 0.0305
Schistosoma mansoni coup transcription factor 0.0012 0.005 0.005
Brugia malayi beta-lactamase family protein 0.0035 0.0306 0.0305
Onchocerca volvulus 0.0035 0.0306 0.0299
Schistosoma mansoni hypothetical protein 0.005 0.0462 0.0462
Schistosoma mansoni tyrosine kinase 0.001 0.0033 0.0033
Schistosoma mansoni GTP-binding protein alpha subunit 0.0008 0.0007 0.0007
Echinococcus granulosus pyruvate kinase 0.0035 0.03 0.03
Plasmodium vivax AP endonuclease (DNA-[apurinic or apyrimidinic site] lyase), putative 0.0022 0.016 0.1938
Echinococcus granulosus GPCR family 2 0.005 0.0462 0.0462
Schistosoma mansoni GTP-binding protein alpha subunit gna 0.0008 0.0007 0.0007
Loa Loa (eye worm) hypothetical protein 0.0087 0.0871 0.087
Echinococcus granulosus diuretic hormone 44 receptor GPRdih2 0.005 0.0462 0.0462
Loa Loa (eye worm) latrophilin receptor protein 2 0.005 0.0462 0.046
Loa Loa (eye worm) hypothetical protein 0.0008 0.0007 0.0006
Schistosoma mansoni GTP-binding protein (q) alpha-11 subunit gna11 0.0008 0.0007 0.0007
Echinococcus multilocularis pyruvate kinase 0.0018 0.0116 0.0116
Echinococcus multilocularis tyrosine protein kinase Fgr 0.001 0.0033 0.0033
Schistosoma mansoni pyruvate kinase 0.0035 0.03 0.03
Mycobacterium leprae Probable pyruvate kinase PykA 0.0035 0.03 0.0865
Echinococcus multilocularis neutral amino acid transporter excitatory amino acid transporter 0.0926 1 1
Onchocerca volvulus 0.0012 0.005 0.0042
Echinococcus granulosus neuropeptide s receptor 0.0454 0.4861 0.4861
Trypanosoma cruzi apurinic/apyrimidinic endonuclease 0.0022 0.016 0.0597
Toxoplasma gondii hypothetical protein 0.0027 0.0215 0.111
Onchocerca volvulus Excitatory amino acid transporter homolog 0.0926 1 1
Mycobacterium ulcerans aldehyde dehydrogenase 0.0071 0.0691 1
Echinococcus multilocularis proto oncogene tyrosine protein kinase LCK 0.001 0.0033 0.0033
Mycobacterium tuberculosis Probable oxidoreductase 0.0117 0.1198 0.1112
Schistosoma mansoni tyrosine kinase 0.001 0.0033 0.0033
Loa Loa (eye worm) pyruvate kinase 0.0035 0.03 0.0298
Echinococcus granulosus acylamino acid releasing enzyme 0.0027 0.0215 0.0215
Onchocerca volvulus Bile acid receptor homolog 0.0012 0.005 0.0042
Onchocerca volvulus Pyruvate kinase homolog 0.0035 0.03 0.0293
Echinococcus granulosus dihydrolipoamide dehydrogenase 0.0016 0.0096 0.0096
Echinococcus granulosus neutral amino acid transporter A 0.0926 1 1
Trypanosoma cruzi hypothetical protein, conserved 0.0027 0.0215 0.111
Trypanosoma brucei trypanothione reductase 0.0046 0.0425 0.3079
Brugia malayi Nuclear hormone receptor family member nhr-25 0.0012 0.005 0.0048
Echinococcus multilocularis guanine nucleotide binding protein subunit 0.0008 0.0007 0.0007
Loa Loa (eye worm) hypothetical protein 0.0035 0.0306 0.0305
Loa Loa (eye worm) nuclear hormone receptor family member nhr-1 0.0012 0.005 0.0048
Loa Loa (eye worm) steroid hormone receptor 0.0012 0.005 0.0048
Brugia malayi Sex muscle abnormal protein 5 0.0009 0.002 0.0018
Echinococcus granulosus growth factor receptor bound protein 2 0.0009 0.002 0.002
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0183 0.1915 0.1915

Activities

Activity type Activity value Assay description Source Reference
IC50 (binding) = 519 nM Inhibition of human recombinant Lck by ProFlour assay ChEMBL. 16997556
IC50 (binding) = 519 nM Inhibition of human recombinant Lck by ProFlour assay ChEMBL. 16997556

Phenotypes

Whole-cell/tissue/organism interactions

We have no records of whole-cell/tissue assays done with this compound What does this mean?

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

No external resources registered for this compound

Bibliographic References

1 literature reference was collected for this gene.

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