Detailed information for compound 605603

Basic information

Technical information
  • TDR Targets ID: 605603
  • Name: N-methyl-N-(phenylmethyl)-2,6-di(pyridin-2-yl )pyrimidin-4-amine
  • MW: 353.42 | Formula: C22H19N5
  • H donors: 0 H acceptors: 4 LogP: 3.41 Rotable bonds: 5
    Rule of 5 violations (Lipinski): 1
  • SMILES: CN(c1cc(nc(n1)c1ccccn1)c1ccccn1)Cc1ccccc1
  • InChi: 1S/C22H19N5/c1-27(16-17-9-3-2-4-10-17)21-15-20(18-11-5-7-13-23-18)25-22(26-21)19-12-6-8-14-24-19/h2-15H,16H2,1H3
  • InChiKey: PKGMRTBFJQFSHW-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

  • N-methyl-N-(phenylmethyl)-2,6-bis(2-pyridyl)pyrimidin-4-amine
  • N-methyl-N-(phenylmethyl)-2,6-bis(2-pyridyl)-4-pyrimidinamine
  • benzyl-[2,6-bis(2-pyridyl)pyrimidin-4-yl]-methyl-amine

Targets

Known targets for this compound

No curated genes were found associated with this compound

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
Echinococcus granulosus bromodomain adjacent to zinc finger domain 0.0067 0.045 0.1158
Plasmodium vivax hypothetical protein, conserved 0.0187 0.1464 1
Echinococcus multilocularis ubiquitin carboxyl terminal hydrolase 8 0.0036 0.0186 0.0259
Schistosoma mansoni hypothetical protein 0.0081 0.0571 0.1731
Trypanosoma cruzi PAB1-binding protein , putative 0.0025 0.0089 0.0542
Loa Loa (eye worm) hypothetical protein 0.0016 0.0014 0.0037
Onchocerca volvulus 0.0049 0.0297 0.2025
Trypanosoma brucei ubiquitin carboxyl-terminal hydrolase, putative 0.0036 0.0186 0.1212
Brugia malayi Nuclear hormone receptor family member nhr-49 0.003 0.0134 0.0345
Loa Loa (eye worm) hypothetical protein 0.0016 0.0015 0.0038
Schistosoma mansoni hypothetical protein 0.0361 0.2943 0.892
Echinococcus granulosus fetal alzheimer antigen falz 0.0026 0.0099 0.0255
Loa Loa (eye worm) hypothetical protein 0.0072 0.0489 0.1257
Echinococcus multilocularis smad 0.0025 0.0096 0.0133
Trypanosoma brucei PAB1-binding protein , putative 0.0025 0.0089 0.0542
Giardia lamblia Histone acetyltransferase GCN5 0.0046 0.027 0.8041
Trypanosoma cruzi ubiquitin carboxyl-terminal hydrolase, putative 0.0036 0.0186 0.1212
Mycobacterium tuberculosis Probable hydrolase 0.0187 0.1464 0.1451
Loa Loa (eye worm) RNA binding protein 0.0063 0.0418 0.1075
Loa Loa (eye worm) acetyltransferase 0.0173 0.1348 0.3468
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0232 0.1846 0.5596
Echinococcus multilocularis terminal deoxycytidyl transferase rev1 0.0016 0.0015 0.0021
Brugia malayi calcium-independent alpha-latrotoxin receptor 2, putative 0.0033 0.0162 0.0416
Brugia malayi hypothetical protein 0.0126 0.095 0.2443
Schistosoma mansoni hypothetical protein 0.0033 0.0162 0.049
Trypanosoma brucei protein kinase, putative 0.0053 0.0327 0.2177
Schistosoma mansoni ap endonuclease 0.0019 0.004 0.0121
Leishmania major ubiquitin hydrolase, putative,cysteine peptidase, Clan CA, family C19, putative 0.0036 0.0186 0.1212
Brugia malayi Nuclear hormone receptor family member nhr-25 0.0111 0.0825 0.2122
Brugia malayi exodeoxyribonuclease III family protein 0.0019 0.004 0.0102
Onchocerca volvulus 0.0187 0.1464 1
Brugia malayi Nuclear hormone receptor family member nhr-25 0.0111 0.0825 0.2122
Echinococcus multilocularis mitogen activated protein kinase 3 0.0053 0.0327 0.0454
Echinococcus multilocularis cadherin EGF LAG seven pass G type receptor 0.0033 0.0162 0.0225
Loa Loa (eye worm) exodeoxyribonuclease III family protein 0.0019 0.004 0.0102
Brugia malayi CXXC zinc finger family protein 0.0057 0.0364 0.0936
Schistosoma mansoni FTZ-F1 nuclear receptor-like protein 0.0111 0.0825 0.2501
Mycobacterium ulcerans DNA polymerase IV 0.0045 0.0263 0.1564
Mycobacterium tuberculosis Probable conserved lipoprotein 0.0187 0.1464 0.1451
Entamoeba histolytica exodeoxyribonuclease III, putative 0.0019 0.004 0.0505
Brugia malayi hypothetical protein 0.0016 0.0014 0.0037
Trypanosoma brucei DNA polymerase kappa, putative 0.0045 0.0263 0.1736
Loa Loa (eye worm) PHD-finger family protein 0.0021 0.0055 0.0142
Schistosoma mansoni family S12 unassigned peptidase (S12 family) 0.0187 0.1464 0.4439
Loa Loa (eye worm) hypothetical protein 0.0033 0.0162 0.0416
Plasmodium falciparum ataxin-2 like protein, putative 0.0025 0.0089 0.2127
Brugia malayi Nuclear hormone receptor family member nhr-3 0.003 0.0134 0.0345
Mycobacterium tuberculosis Probable esterase/lipase LipP 0.0187 0.1464 0.1451
Schistosoma mansoni retinoid-x-receptor (RXR) 0.0016 0.0014 0.0044
Schistosoma mansoni tar DNA-binding protein 0.0063 0.0418 0.1267
Echinococcus granulosus histone lysine N methyltransferase MLL3 0.0014 0 0.0001
Schistosoma mansoni thyroid hormone receptor 0.003 0.0134 0.0407
Echinococcus multilocularis Smad4 0.0025 0.0096 0.0133
Echinococcus multilocularis dnaJ subfamily B 0.0403 0.3299 0.4585
Echinococcus multilocularis mitogen activated protein kinase 0.0053 0.0327 0.0454
Trichomonas vaginalis CMGC family protein kinase 0.0053 0.0327 0.2013
Mycobacterium tuberculosis Probable lipase LipE 0.0187 0.1464 0.1451
Schistosoma mansoni nuclear hormone receptor nor-1/nor-2 0.003 0.0134 0.0407
Schistosoma mansoni zinc finger protein 0.0015 0.001 0.003
Onchocerca volvulus Steroid hormone receptor family member cnr14 homolog 0.003 0.0134 0.0916
Echinococcus granulosus histone lysine methyltransferase setb 0.0018 0.0036 0.0091
Brugia malayi Nuclear hormone receptor family member nhr-41 0.003 0.0134 0.0345
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0232 0.1846 0.4749
Echinococcus granulosus suppression of tumorigenicity 18 protein 0.0056 0.0354 0.0911
Loa Loa (eye worm) beta-lactamase 0.0187 0.1464 0.3767
Trypanosoma cruzi hypothetical protein, conserved 0.0187 0.1464 1
Echinococcus granulosus mothers against decapentaplegic 5 0.0025 0.0096 0.0247
Brugia malayi mbt repeat family protein 0.0049 0.0297 0.0763
Loa Loa (eye worm) nuclear hormone receptor family member nhr-1 0.003 0.0134 0.0345
Echinococcus multilocularis endonuclease exonuclease phosphatase 0.0197 0.1553 0.2159
Trypanosoma brucei DNA polymerase kappa, putative 0.0045 0.0263 0.1736
Echinococcus granulosus dnaJ subfamily B 0.0403 0.3299 0.8487
Echinococcus granulosus muscleblind protein 0.0154 0.1189 0.3059
Brugia malayi Nuclear hormone receptor-like 1 0.0016 0.0014 0.0037
Brugia malayi hypothetical protein 0.0016 0.0014 0.0037
Loa Loa (eye worm) pigment dispersing factor receptor c 0.0105 0.077 0.1981
Mycobacterium ulcerans fusion of enoyl-CoA hydratase, EchA21 and lipase, LipE 0.0187 0.1464 1
Trypanosoma cruzi DNA polymerase kappa, putative 0.0045 0.0263 0.1736
Trypanosoma brucei unspecified product 0.0038 0.0201 0.1314
Echinococcus multilocularis nuclear receptor 2DBD gamma 0.003 0.0134 0.0186
Echinococcus granulosus retinoic acid receptor rxr beta a 0.003 0.0134 0.0345
Echinococcus multilocularis suppression of tumorigenicity 18 protein 0.0056 0.0354 0.0492
Brugia malayi polk-prov protein 0.0034 0.017 0.0436
Trypanosoma brucei hypothetical protein, conserved 0.0187 0.1464 1
Schistosoma mansoni gcn5proteinral control of amino-acid synthesis 5-like 2 gcnl2 0.0173 0.1348 0.4086
Brugia malayi C2-HC type zinc finger protein C.e-MyT1 0.0056 0.0354 0.0911
Schistosoma mansoni smad 0.0025 0.0096 0.0291
Echinococcus granulosus nuclear receptor 2DBD gamma 0.003 0.0134 0.0345
Echinococcus multilocularis diuretic hormone 44 receptor GPRdih2 0.0033 0.0162 0.0225
Loa Loa (eye worm) hypothetical protein 0.0187 0.1464 0.3767
Echinococcus multilocularis dna polymerase eta 0.0016 0.0015 0.0021
Echinococcus granulosus geminin 0.0361 0.2943 0.7571
Echinococcus granulosus diuretic hormone 44 receptor GPRdih2 0.0033 0.0162 0.0416
Leishmania major apurinic/apyrimidinic endonuclease-redox protein 0.0019 0.004 0.0205
Mycobacterium leprae Probable lipase LipE 0.0187 0.1464 1
Entamoeba histolytica hypothetical protein 0.0071 0.0483 0.9508
Onchocerca volvulus Huntingtin homolog 0.0126 0.095 0.6485
Brugia malayi Nuclear hormone receptor family member nhr-40 0.003 0.0134 0.0345
Trichomonas vaginalis myo inositol monophosphatase, putative 0.0074 0.0507 0.3281
Trichomonas vaginalis D-aminoacylase, putative 0.0187 0.1464 1
Brugia malayi MAP kinase sur-1 0.0053 0.0327 0.084
Echinococcus granulosus FTZ F1 alpha 0.0413 0.3387 0.8714
Schistosoma mansoni ubiquitin-specific peptidase 2 (C19 family) 0.0036 0.0186 0.0565
Loa Loa (eye worm) hypothetical protein 0.003 0.0134 0.0345
Echinococcus multilocularis SAM and MBT domain containing protein 0.0049 0.0297 0.0412
Brugia malayi Ubiquitin carboxyl-terminal hydrolase family protein 0.0036 0.0186 0.0479
Echinococcus multilocularis Basic leucine zipper (bZIP) transcription 0.0071 0.0483 0.0671
Trypanosoma brucei DNA polymerase kappa, putative 0.0045 0.0263 0.1736
Echinococcus granulosus cadherin EGF LAG seven pass G type receptor 0.0033 0.0162 0.0416
Echinococcus granulosus ubiquitin carboxyl terminal hydrolase 8 0.0036 0.0186 0.0479
Echinococcus multilocularis Peptidase C19, ubiquitin carboxyl terminal hydrolase 2 0.0036 0.0186 0.0259
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0018 0.0036 0.0108
Schistosoma mansoni RAR-like nuclear receptor 0.003 0.0134 0.0407
Echinococcus multilocularis tar DNA binding protein 0.0063 0.0418 0.0581
Schistosoma mansoni retinoid-x-receptor (RXR) 0.003 0.0134 0.0407
Loa Loa (eye worm) CXXC zinc finger family protein 0.0057 0.0364 0.0936
Mycobacterium ulcerans beta-lactamase 0.0187 0.1464 1
Entamoeba histolytica hypothetical protein 0.0071 0.0483 0.9508
Brugia malayi MH2 domain containing protein 0.0025 0.0096 0.0247
Mycobacterium ulcerans hypothetical protein 0.0187 0.1464 1
Echinococcus granulosus Nuclear hormone receptor family member nhr 41 0.003 0.0134 0.0345
Trichomonas vaginalis penicillin-binding protein, putative 0.0187 0.1464 1
Schistosoma mansoni steroid hormone receptor ad4bp 0.003 0.0134 0.0407
Giardia lamblia DINP protein human, muc B family 0.0023 0.0076 0.1274
Trichomonas vaginalis cat eye syndrome critical region protein 2, cscr2, putative 0.0053 0.0326 0.2009
Echinococcus multilocularis TGF beta signal transducer SmadC 0.0025 0.0096 0.0133
Loa Loa (eye worm) ImpB/MucB/SamB family protein 0.0016 0.0015 0.0038
Toxoplasma gondii LsmAD domain-containing protein 0.0025 0.0089 0.0344
Trypanosoma cruzi DNA polymerase kappa, putative 0.0045 0.0263 0.1736
Brugia malayi photoreceptor-specific nuclear receptor 0.003 0.0134 0.0345
Loa Loa (eye worm) nuclear hormone receptor family member nhr-14 0.003 0.0134 0.0345
Loa Loa (eye worm) hypothetical protein 0.0016 0.0014 0.0037
Echinococcus multilocularis ecdysone induced protein 78C 0.003 0.0134 0.0186
Trypanosoma brucei DNA polymerase kappa, putative 0.0045 0.0263 0.1736
Giardia lamblia Ubiquitin carboxyl-terminal hydrolase 4 0.0036 0.0186 0.5109
Loa Loa (eye worm) MH1 domain-containing protein 0.0025 0.0096 0.0247
Trypanosoma cruzi DNA polymerase kappa, putative 0.0045 0.0263 0.1736
Brugia malayi beta-lactamase family protein 0.0187 0.1464 0.3767
Echinococcus multilocularis geminin 0.0361 0.2943 0.409
Loa Loa (eye worm) hypothetical protein 0.003 0.0134 0.0345
Echinococcus granulosus zinc finger protein 0.0027 0.0109 0.0281
Echinococcus multilocularis inositol monophosphatase 1 0.0074 0.0507 0.0705
Brugia malayi MH1 domain containing protein 0.0025 0.0096 0.0247
Plasmodium falciparum histone acetyltransferase GCN5 0.0046 0.027 1
Schistosoma mansoni inositol monophosphatase 0.0074 0.0507 0.1538
Loa Loa (eye worm) hypothetical protein 0.0187 0.1464 0.3767
Schistosoma mansoni mixed-lineage leukemia protein mll 0.0121 0.0906 0.2748
Echinococcus multilocularis zinc finger protein 0.0027 0.0109 0.0152
Schistosoma mansoni acetyl-CoA C-acetyltransferase 0.0026 0.0099 0.0301
Loa Loa (eye worm) hypothetical protein 0.0187 0.1464 0.3767
Loa Loa (eye worm) hypothetical protein 0.0016 0.0014 0.0037
Trichomonas vaginalis D-aminoacylase, putative 0.0187 0.1464 1
Mycobacterium tuberculosis Possible conserved lipoprotein LpqK 0.0187 0.1464 0.1451
Brugia malayi Ligand-binding domain of nuclear hormone receptor family protein 0.003 0.0134 0.0345
Trypanosoma brucei DNA polymerase IV, putative 0.0038 0.0201 0.1314
Echinococcus granulosus ubiquitin specific protease 41 0.0036 0.0186 0.0479
Loa Loa (eye worm) nuclear hormone receptor family member nhr-49 0.003 0.0134 0.0345
Echinococcus granulosus Basic leucine zipper bZIP transcription 0.0071 0.0483 0.1243
Leishmania major DNA polymerase eta, putative 0.0016 0.0015 0.0034
Echinococcus multilocularis thyroid hormone receptor alpha 0.003 0.0134 0.0186
Schistosoma mansoni smad1 5 8 and 0.0025 0.0096 0.0291
Echinococcus granulosus histone acetyltransferase KAT2B 0.0053 0.0326 0.0839
Echinococcus multilocularis tumor protein p63 0.0359 0.2928 0.407
Leishmania major hypothetical protein, conserved 0.0187 0.1464 1
Trypanosoma brucei mitogen activated protein kinase 4, putative 0.0053 0.0327 0.2177
Echinococcus granulosus GPCR family 2 0.0033 0.0162 0.0416
Echinococcus granulosus COUP TF:Svp nuclear hormone receptor 0.003 0.0134 0.0345
Echinococcus granulosus Peptidase C19 ubiquitin carboxyl terminal hydrolase 2 0.0036 0.0186 0.0479
Echinococcus multilocularis beta LACTamase domain containing family member 0.0187 0.1464 0.2035
Brugia malayi nuclear receptor RXR 0.0016 0.0014 0.0037
Echinococcus multilocularis gcn5proteinral control of amino acid synthesis 0.0173 0.1348 0.1873
Trypanosoma cruzi apurinic/apyrimidinic endonuclease, putative 0.0019 0.004 0.0205
Leishmania major mitogen activated protein kinase 4, putative;with=GeneDB:LmxM19.1440 0.0053 0.0327 0.2177
Loa Loa (eye worm) hypothetical protein 0.0018 0.0036 0.0091
Mycobacterium ulcerans esterase/lipase LipP 0.0187 0.1464 1
Treponema pallidum exodeoxyribonuclease (exoA) 0.0019 0.004 0.5
Brugia malayi Bromodomain containing protein 0.0042 0.0241 0.0619
Loa Loa (eye worm) hypothetical protein 0.0034 0.017 0.0436
Brugia malayi hypothetical protein 0.0071 0.0483 0.1243
Brugia malayi Muscleblind-like protein 0.0154 0.1189 0.3059
Schistosoma mansoni methyl-cpg binding protein mbd 0.0017 0.0025 0.0076
Loa Loa (eye worm) GTP-binding regulatory protein Gs alpha-S chain 0.0232 0.1846 0.4749
Schistosoma mansoni DNA polymerase eta 0.0016 0.0015 0.0045
Echinococcus granulosus FTZ F1 nuclear receptor protein 0.0111 0.0825 0.2122
Onchocerca volvulus 0.003 0.0134 0.0916
Echinococcus multilocularis histone lysine N methyltransferase MLL3 0.0014 0 0.0001
Trichomonas vaginalis CMGC family protein kinase 0.0053 0.0327 0.2013
Schistosoma mansoni cpg binding protein 0.0062 0.0408 0.1236
Trichomonas vaginalis DNA polymerase eta, putative 0.0045 0.0263 0.1564
Loa Loa (eye worm) hypothetical protein 0.003 0.0134 0.0345
Trichomonas vaginalis DNA polymerase IV / kappa, putative 0.0045 0.0263 0.1564
Loa Loa (eye worm) mbt repeat family protein 0.0049 0.0297 0.0763
Echinococcus multilocularis histone acetyltransferase MYST2 0.0056 0.0354 0.0492
Mycobacterium tuberculosis Conserved protein 0.0187 0.1464 0.1451
Trypanosoma brucei DNA polymerase kappa, putative 0.0018 0.0035 0.0168
Brugia malayi Nuclear hormone receptor-like 1 0.003 0.0134 0.0345
Trichomonas vaginalis CMGC family protein kinase 0.0053 0.0327 0.2013
Mycobacterium leprae conserved hypothetical protein 0.0187 0.1464 1
Loa Loa (eye worm) TAR-binding protein 0.0063 0.0418 0.1075
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.0105 0.077 0.1981
Brugia malayi Nuclear hormone receptor family member nhr-19 0.003 0.0134 0.0345
Trypanosoma cruzi mitogen activated protein kinase 4, putative 0.0053 0.0327 0.2177
Trypanosoma brucei DNA polymerase eta, putative 0.0016 0.0015 0.0034
Echinococcus granulosus endonuclease exonuclease phosphatase 0.0197 0.1553 0.3996
Echinococcus multilocularis nuclear receptor 2DBD gamma 0.003 0.0134 0.0186
Loa Loa (eye worm) MH2 domain-containing protein 0.0025 0.0096 0.0247
Brugia malayi PHD-finger family protein 0.0032 0.0155 0.0398
Loa Loa (eye worm) hypothetical protein 0.0187 0.1464 0.3767
Brugia malayi Latrophilin receptor protein 2 0.0033 0.0162 0.0416
Schistosoma mansoni hypothetical protein 0.0033 0.0162 0.049
Trypanosoma cruzi mitogen-activated protein kinase 11, putative 0.0053 0.0327 0.2177
Trypanosoma brucei DNA polymerase kappa, putative 0.0045 0.0263 0.1736
Leishmania major hypothetical protein, conserved 0.0025 0.0089 0.0542
Loa Loa (eye worm) hypothetical protein 0.0154 0.1189 0.3059
Schistosoma mansoni cpg binding protein 0.0062 0.0408 0.1236
Giardia lamblia Kinase, CMGC MAPK 0.0053 0.0327 1
Trypanosoma cruzi myo-inositol-1(or 4)-monophosphatase 1, putative 0.0074 0.0507 0.3419
Schistosoma mansoni serine/threonine protein kinase 0.0053 0.0327 0.099
Echinococcus granulosus ecdysone induced protein 78C 0.003 0.0134 0.0345
Loa Loa (eye worm) hypothetical protein 0.003 0.0134 0.0345
Trypanosoma brucei DNA polymerase IV, putative 0.0045 0.0263 0.1736
Schistosoma mansoni transcription factor LCR-F1 0.0071 0.0483 0.1464
Loa Loa (eye worm) hypothetical protein 0.0016 0.0014 0.0037
Brugia malayi ImpB/MucB/SamB family protein 0.0016 0.0015 0.0038
Loa Loa (eye worm) nuclear hormone receptor family member nhr-41 0.003 0.0134 0.0345
Echinococcus granulosus DNA apurinic or apyrimidinic site lyase 0.0019 0.004 0.0102
Schistosoma mansoni methyl-cpg binding protein mbd 0.0017 0.0025 0.0076
Schistosoma mansoni coup transcription factor 0.003 0.0134 0.0407
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0232 0.1846 0.2566
Echinococcus multilocularis bromodomain adjacent to zinc finger domain 0.0036 0.0185 0.0257
Schistosoma mansoni terminal deoxycytidyl transferase 0.0016 0.0015 0.0045
Loa Loa (eye worm) hypothetical protein 0.003 0.0134 0.0345
Loa Loa (eye worm) hypothetical protein 0.0045 0.0261 0.0673
Toxoplasma gondii inositol(myo)-1(or 4)-monophosphatase 2, putative 0.0074 0.0507 0.3281
Echinococcus granulosus nuclear receptor subfamily 1 group D 0.0016 0.0014 0.0037
Echinococcus multilocularis atpase aaa+ type core atpase aaa type core 0.0862 0.7195 1
Loa Loa (eye worm) hypothetical protein 0.0036 0.0186 0.0479
Trypanosoma brucei DNA polymerase kappa, putative 0.0045 0.0263 0.1736
Schistosoma mansoni ecdysone-induced protein 78c (dr-78) 0.0016 0.0014 0.0044
Brugia malayi Nuclear hormone receptor family member nhr-31 0.003 0.0134 0.0345
Entamoeba histolytica hypothetical protein 0.0071 0.0483 0.9508
Echinococcus multilocularis hepatocyte nuclear factor 4 alpha 0.003 0.0134 0.0186
Loa Loa (eye worm) beta-LACTamase domain containing family member 0.0187 0.1464 0.3767
Echinococcus multilocularis methyl CpG binding domain protein 2 0.0017 0.0025 0.0035
Schistosoma mansoni retinoic acid receptor RXR 0.003 0.0134 0.0407
Brugia malayi Steroid receptor seven-up type 2 0.003 0.0134 0.0345
Brugia malayi Smad1 0.0025 0.0096 0.0247
Brugia malayi steroid hormone receptor 0.003 0.0134 0.0345
Trypanosoma brucei DNA polymerase kappa, putative 0.0023 0.0076 0.0456
Schistosoma mansoni bromodomain containing protein 0.0071 0.048 0.1456
Trypanosoma cruzi mitogen-activated protein kinase 11, putative 0.0053 0.0327 0.2177
Echinococcus multilocularis fetal alzheimer antigen, falz 0.0026 0.0099 0.0138
Echinococcus granulosus terminal deoxycytidyl transferase rev1 0.0016 0.0015 0.0038
Schistosoma mansoni hypothetical protein 0.0033 0.0162 0.049
Trypanosoma cruzi apurinic/apyrimidinic endonuclease 0.0019 0.004 0.0205
Brugia malayi hypothetical protein 0.0025 0.0089 0.0229
Schistosoma mansoni ap endonuclease 0.0019 0.004 0.0121
Echinococcus granulosus bromodomain adjacent to zinc finger domain 0.0036 0.0185 0.0476
Trypanosoma brucei DNA polymerase IV, putative 0.0045 0.0263 0.1736
Trypanosoma brucei DNA polymerase kappa, putative 0.0034 0.017 0.1097
Schistosoma mansoni Tr4/Tr2 (homologue) 0.003 0.0134 0.0407
Loa Loa (eye worm) hypothetical protein 0.003 0.0134 0.0345
Echinococcus granulosus histone acetyltransferase KAT2B 0.0166 0.1287 0.3312
Schistosoma mansoni inositol monophosphatase 0.0074 0.0507 0.1538
Brugia malayi Hypothetical 52.5 kDa protein ZK945.1 in chromosome II, putative 0.0187 0.1464 0.3767
Schistosoma mansoni family S12 unassigned peptidase (S12 family) 0.0187 0.1464 0.4439
Brugia malayi F/Y-rich N-terminus family protein 0.0019 0.0044 0.0114
Loa Loa (eye worm) hypothetical protein 0.0105 0.077 0.1981
Entamoeba histolytica myo-inositol monophosphatase, putative 0.0074 0.0507 1
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0232 0.1846 0.2566
Loa Loa (eye worm) hypothetical protein 0.003 0.0134 0.0345
Trypanosoma cruzi hypothetical protein, conserved 0.0187 0.1464 1
Echinococcus granulosus tar DNA binding protein 0.0063 0.0418 0.1075
Loa Loa (eye worm) transcription factor SMAD2 0.0373 0.3046 0.7836
Toxoplasma gondii histone lysine acetyltransferase GCN5-B 0.0053 0.0326 0.2009
Brugia malayi beta-lactamase family protein 0.0187 0.1464 0.3767
Brugia malayi latrophilin 2 splice variant baaae 0.0072 0.0489 0.1257
Mycobacterium tuberculosis Probable esterase LipL 0.0187 0.1464 0.1451
Brugia malayi ecdysteroid receptor 0.003 0.0134 0.0345
Loa Loa (eye worm) nuclear hormone receptor family member nhr-40 0.003 0.0134 0.0345
Echinococcus multilocularis DNA (apurinic or apyrimidinic site) lyase 0.0019 0.004 0.0055
Mycobacterium tuberculosis Inositol-1-monophosphatase SuhB 0.0066 0.0441 0.0427
Schistosoma mansoni photoreceptor-specific nuclear receptor related 0.003 0.0134 0.0407
Echinococcus granulosus beta LACTamase domain containing family member 0.0187 0.1464 0.3767
Loa Loa (eye worm) hypothetical protein 0.0025 0.0089 0.0229
Loa Loa (eye worm) latrophilin receptor protein 2 0.0033 0.0162 0.0416
Echinococcus granulosus cpg binding protein 0.0062 0.0408 0.1049
Onchocerca volvulus 0.0187 0.1464 1
Toxoplasma gondii CMGC kinase, MAPK family (ERK) MAPK-1 0.0053 0.0327 0.2013
Schistosoma mansoni tar DNA-binding protein 0.0063 0.0418 0.1267
Mycobacterium tuberculosis Conserved protein 0.0187 0.1464 0.1451
Schistosoma mansoni smad1 5 8 and 0.0025 0.0096 0.0291
Echinococcus multilocularis survival motor neuron protein 1 0.0472 0.3887 0.5402
Brugia malayi RNA binding protein 0.0063 0.0418 0.1075
Echinococcus multilocularis dna polymerase kappa 0.0045 0.0263 0.0365
Loa Loa (eye worm) CMGC/MAPK/ERK1 protein kinase 0.0053 0.0327 0.084
Brugia malayi Nuclear hormone receptor-like 1 0.0016 0.0014 0.0037
Echinococcus granulosus mitogen activated protein kinase 3 0.0053 0.0327 0.084
Leishmania major DNA polymerase kappa, putative 0.0023 0.0076 0.0456
Trypanosoma cruzi DNA polymerase eta, putative 0.0016 0.0015 0.0034
Trichomonas vaginalis esterase, putative 0.0187 0.1464 1
Schistosoma mansoni nuclear hormone receptor 0.003 0.0134 0.0407
Trypanosoma brucei inositol-1(or 4)-monophosphatase 1, putative 0.0074 0.0507 0.3419
Schistosoma mansoni hypothetical protein 0.0015 0.001 0.003
Loa Loa (eye worm) nuclear hormone receptor family member nhr-31 0.003 0.0134 0.0345
Echinococcus granulosus histone lysine N methyltransferase MLL3 0.0018 0.003 0.0077
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0232 0.1846 0.5596
Onchocerca volvulus 0.0057 0.0364 0.2486
Loa Loa (eye worm) hypothetical protein 0.0187 0.1464 0.3767
Trichomonas vaginalis myo inositol monophosphatase, putative 0.0074 0.0507 0.3281
Brugia malayi beta-lactamase 0.0187 0.1464 0.3767
Wolbachia endosymbiont of Brugia malayi fructose-1,6-bisphosphatase 0.0074 0.0507 1
Trichomonas vaginalis penicillin-binding protein, putative 0.0187 0.1464 1
Brugia malayi GTP-binding regulatory protein Gs alpha-S chain, putative 0.0232 0.1846 0.4749
Trichomonas vaginalis conserved hypothetical protein 0.0036 0.0186 0.1029
Trichomonas vaginalis Clan CA, family C19, ubiquitin hydrolase-like cysteine peptidase 0.0036 0.0186 0.1029
Schistosoma mansoni hypothetical protein 0.0302 0.2443 0.7407
Echinococcus multilocularis FTZ F1 nuclear receptor protein 0.0111 0.0825 0.1147
Brugia malayi acetyltransferase, GNAT family protein 0.0173 0.1348 0.3468
Loa Loa (eye worm) hypothetical protein 0.0071 0.0481 0.1236
Onchocerca volvulus 0.0053 0.0326 0.2229
Leishmania major DNA polymerase kappa, putative,DNA polymerase IV, putative 0.0023 0.0076 0.0456
Trichomonas vaginalis Clan CA, family C19, ubiquitin hydrolase-like cysteine peptidase 0.0036 0.0186 0.1029
Echinococcus multilocularis bromodomain adjacent to zinc finger domain 0.0067 0.045 0.0625
Plasmodium falciparum ataxin-2 like protein, putative 0.0025 0.0089 0.2127
Echinococcus multilocularis cpg binding protein 0.0062 0.0408 0.0567
Mycobacterium ulcerans extragenic suppressor protein SuhB 0.0074 0.0507 0.3281
Schistosoma mansoni hypothetical protein 0.0096 0.0697 0.2114
Echinococcus granulosus mixed lineage leukemia protein mll 0.0014 0 0.0001
Schistosoma mansoni smad1 5 8 and 0.0025 0.0096 0.0291
Onchocerca volvulus 0.0096 0.0697 0.4763
Echinococcus granulosus hepatocyte nuclear factor 4 alpha 0.003 0.0134 0.0345
Schistosoma mansoni hypothetical protein 0.0072 0.0489 0.1481
Toxoplasma gondii ABC1 family protein 0.0187 0.1464 1
Trypanosoma brucei DNA polymerase kappa, putative 0.0045 0.0263 0.1736
Schistosoma mansoni cpg binding protein 0.0057 0.0364 0.1103
Trichomonas vaginalis CMGC family protein kinase 0.0053 0.0327 0.2013
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0018 0.0036 0.0108
Echinococcus multilocularis polycomb protein SCMH1 0.0049 0.0297 0.0412
Echinococcus granulosus polycomb protein SCMH1 0.0049 0.0297 0.0763
Loa Loa (eye worm) hypothetical protein 0.0126 0.095 0.2443
Echinococcus granulosus smad 0.0025 0.0096 0.0247
Brugia malayi Ligand-binding domain of nuclear hormone receptor family protein 0.003 0.0134 0.0345
Echinococcus granulosus SAM and MBT domain containing protein 0.0049 0.0297 0.0763
Entamoeba histolytica acetyltransferase, GNAT family 0.0046 0.027 0.519
Loa Loa (eye worm) hypothetical protein 0.0154 0.1189 0.3059
Echinococcus granulosus mitogen activated protein kinase 0.0053 0.0327 0.084
Trypanosoma brucei apurinic/apyrimidinic endonuclease, putative 0.0019 0.004 0.0205
Echinococcus multilocularis ubiquitin specific protease 41 0.0036 0.0186 0.0259
Onchocerca volvulus Bile acid receptor homolog 0.003 0.0134 0.0916
Schistosoma mansoni tar DNA-binding protein 0.0063 0.0418 0.1267
Brugia malayi MH2 domain containing protein 0.0025 0.0096 0.0247
Echinococcus granulosus dna polymerase kappa 0.0045 0.0263 0.0675
Loa Loa (eye worm) nuclear Hormone Receptor family member 0.003 0.0134 0.0345
Mycobacterium tuberculosis Probable exodeoxyribonuclease III protein XthA (exonuclease III) (EXO III) (AP endonuclease VI) 0.0019 0.004 0.0025
Trichomonas vaginalis D-aminoacylase, putative 0.0187 0.1464 1
Brugia malayi TAR-binding protein 0.0063 0.0418 0.1075
Toxoplasma gondii histone lysine methyltransferase SET1 0.0115 0.0852 0.5705
Echinococcus multilocularis histone lysine N methyltransferase MLL3 0.0018 0.003 0.0042
Loa Loa (eye worm) hypothetical protein 0.0038 0.0206 0.053
Brugia malayi MH1 domain containing protein 0.0025 0.0096 0.0247
Echinococcus multilocularis GPCR, family 2 0.0033 0.0162 0.0225
Loa Loa (eye worm) hypothetical protein 0.0053 0.0326 0.0839
Loa Loa (eye worm) hypothetical protein 0.0056 0.0354 0.0911
Loa Loa (eye worm) hypothetical protein 0.0472 0.3887 1
Trypanosoma cruzi mitogen activated protein kinase 2, putative 0.0053 0.0327 0.2177
Schistosoma mansoni myelin transcription factor 1 myt1 0.0056 0.0354 0.1074
Trichomonas vaginalis inositol monophosphatase, putative 0.0074 0.0507 0.3281
Trypanosoma brucei DNA polymerase kappa, putative 0.0045 0.0263 0.1736
Brugia malayi nuclear receptor NHR-88 0.003 0.0134 0.0345
Echinococcus multilocularis muscleblind protein 0.0154 0.1189 0.1653
Mycobacterium ulcerans DNA polymerase IV 0.0045 0.0263 0.1564
Echinococcus granulosus nuclear receptor 2DBD gamma 0.003 0.0134 0.0345
Brugia malayi Nuclear hormone receptor family member nhr-14 0.003 0.0134 0.0345
Echinococcus multilocularis nuclear receptor subfamily 1 group D 0.0016 0.0014 0.002
Echinococcus granulosus dna polymerase eta 0.0016 0.0015 0.0038
Trypanosoma brucei DNA polymerase kappa, putative 0.0034 0.017 0.1097
Mycobacterium tuberculosis Probable lipase LipD 0.0187 0.1464 0.1451
Brugia malayi Bromodomain containing protein 0.0082 0.058 0.1492
Loa Loa (eye worm) RNA recognition domain-containing protein domain-containing protein 0.0063 0.0418 0.1075
Schistosoma mansoni cellular tumor antigen P53 0.0053 0.0326 0.0989
Trypanosoma cruzi myo-inositol-1(or 4)-monophosphatase 1, putative 0.0074 0.0507 0.3419
Trypanosoma brucei DNA polymerase kappa, putative 0.0018 0.0035 0.0168
Loa Loa (eye worm) histone methyltransferase 0.0018 0.003 0.0077
Brugia malayi mbt repeat family protein 0.0049 0.0297 0.0763
Entamoeba histolytica ubiquitin carboxyl-terminal hydrolase domain containing protein 0.0036 0.0186 0.3482
Onchocerca volvulus Polycomb protein Sfmbt homolog 0.0049 0.0297 0.2025
Echinococcus granulosus Smad4 0.0025 0.0096 0.0247
Onchocerca volvulus Protein ultraspiracle homolog 0.003 0.0134 0.0916
Loa Loa (eye worm) MH2 domain-containing protein 0.0373 0.3046 0.7836
Echinococcus granulosus tumor protein p63 0.0359 0.2928 0.7533
Echinococcus multilocularis Nuclear hormone receptor family member nhr 41 0.003 0.0134 0.0186
Loa Loa (eye worm) Smad1 0.0025 0.0096 0.0247
Loa Loa (eye worm) hypothetical protein 0.0187 0.1464 0.3767
Trichomonas vaginalis bromodomain-containing protein, putative 0.0053 0.0326 0.2009
Schistosoma mansoni sex comb on midleg homolog 0.0049 0.0297 0.0899
Schistosoma mansoni tar DNA-binding protein 0.0063 0.0418 0.1267
Schistosoma mansoni hypothetical protein 0.0033 0.0162 0.049
Brugia malayi nuclear hormone receptor 0.003 0.0134 0.0345
Brugia malayi RNA recognition motif domain containing protein 0.0063 0.0418 0.1075
Onchocerca volvulus 0.0187 0.1464 1
Trypanosoma cruzi PAB1-binding protein , putative 0.0025 0.0089 0.0542
Mycobacterium tuberculosis Possible DNA-damage-inducible protein P DinP (DNA polymerase V) (pol IV 2) (DNA nucleotidyltransferase (DNA-directed)) 0.0023 0.0076 0.0062
Trypanosoma brucei DNA polymerase kappa, putative 0.0045 0.0263 0.1736
Plasmodium vivax ataxin-2 like protein, putative 0.0025 0.0089 0.0344
Brugia malayi Nuclear hormone receptor family member nhr-1 0.003 0.0134 0.0345
Brugia malayi Iron-sulfur cluster assembly accessory protein 0.0096 0.0697 0.1794
Echinococcus granulosus methyl CpG binding domain protein 2 0.0017 0.0025 0.0064
Loa Loa (eye worm) inositol-1 0.0074 0.0507 0.1305
Schistosoma mansoni zinc finger protein 0.0027 0.0109 0.0332
Schistosoma mansoni hypothetical protein 0.0021 0.0055 0.0168
Echinococcus multilocularis mixed lineage leukemia protein mll 0.0014 0 0.0001
Onchocerca volvulus Huntingtin homolog 0.0126 0.095 0.6485
Brugia malayi Calcitonin receptor-like protein seb-1 0.0105 0.077 0.1981
Brugia malayi hypothetical protein 0.0472 0.3887 1
Brugia malayi hypothetical protein 0.0016 0.0015 0.0038
Brugia malayi Nuclear hormone receptor family member nhr-19 0.003 0.0134 0.0345
Loa Loa (eye worm) nuclear hormone receptor-like 1 0.0016 0.0014 0.0037
Schistosoma mansoni mixed-lineage leukemia protein mll 0.0014 0 0.0001
Echinococcus granulosus histone acetyltransferase MYST2 0.0056 0.0354 0.0911
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0232 0.1846 0.4749
Schistosoma mansoni ubiquitin-specific peptidase 8 (C19 family) 0.0036 0.0186 0.0565
Entamoeba histolytica hypothetical protein 0.0071 0.0483 0.9508
Loa Loa (eye worm) hypothetical protein 0.0049 0.0297 0.0763
Schistosoma mansoni hypothetical protein 0.0071 0.0483 0.1464
Schistosoma mansoni scm-relatedprotein containing 4 mbt domains (sfmbt) 0.0049 0.0297 0.0899
Trypanosoma cruzi DNA polymerase kappa, putative 0.0045 0.0263 0.1736
Loa Loa (eye worm) hypothetical protein 0.0111 0.0825 0.2122
Schistosoma mansoni tar DNA-binding protein 0.0063 0.0418 0.1267
Schistosoma mansoni TGF-beta signal transducer Smad2 0.0025 0.0096 0.0291
Plasmodium vivax histone acetyltransferase GCN5, putative 0.0053 0.0326 0.2009
Schistosoma mansoni sex comb on midleg homolog 0.0049 0.0297 0.0899
Loa Loa (eye worm) hypothetical protein 0.005 0.0305 0.0785
Leishmania major mitogen activated protein kinase, putative,map kinase, putative 0.0053 0.0327 0.2177
Echinococcus multilocularis mothers against decapentaplegic 5 0.0025 0.0096 0.0133
Echinococcus multilocularis histone lysine methyltransferase setb histone lysine methyltransferase eggless 0.0018 0.0036 0.0049
Brugia malayi MH2 domain containing protein 0.0373 0.3046 0.7836
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0232 0.1846 0.5596
Loa Loa (eye worm) hypothetical protein 0.0016 0.0014 0.0037
Echinococcus multilocularis muscleblind protein 1 0.0154 0.1189 0.1653
Echinococcus multilocularis COUP TF:Svp nuclear hormone receptor 0.003 0.0134 0.0186
Trypanosoma cruzi ubiquitin carboxyl-terminal hydrolase, putative 0.0036 0.0186 0.1212
Loa Loa (eye worm) bromodomain containing protein 0.0022 0.0066 0.0169
Schistosoma mansoni hypothetical protein 0.0403 0.3299 1
Schistosoma mansoni hypothetical protein 0.0361 0.2943 0.892
Leishmania major myo-inositol-1(or 4)-monophosphatase 1, putative 0.0074 0.0507 0.3419
Brugia malayi ImpB/MucB/SamB family protein 0.0016 0.0015 0.0038
Schistosoma mansoni nuclear receptor 2DBD-gamma 0.003 0.0134 0.0407
Mycobacterium ulcerans lipase LipD 0.0187 0.1464 1
Mycobacterium tuberculosis Conserved protein 0.0187 0.1464 0.1451
Loa Loa (eye worm) steroid hormone receptor 0.003 0.0134 0.0345
Trypanosoma brucei DNA polymerase kappa, putative 0.0018 0.0035 0.0168
Schistosoma mansoni thyroid hormone receptor 0.003 0.0134 0.0407
Schistosoma mansoni survival motor neuron protein 0.0096 0.0697 0.2114
Echinococcus multilocularis FTZ F1 alpha 0.0111 0.0825 0.1147
Schistosoma mansoni rab geranylgeranyl transferase alpha subunit 0.0016 0.0015 0.0045
Loa Loa (eye worm) MBCTL1 0.0056 0.0354 0.0911
Schistosoma mansoni Smad4 0.0025 0.0096 0.0291
Brugia malayi Inositol-1 0.0074 0.0507 0.1305
Echinococcus granulosus TGF beta signal transducer SmadC 0.0025 0.0096 0.0247
Echinococcus granulosus survival motor neuron protein 1 0.0472 0.3887 1
Echinococcus granulosus inositol monophosphatase 1 0.0074 0.0507 0.1305
Toxoplasma gondii histone lysine acetyltransferase GCN5-A 0.0053 0.0326 0.2009
Loa Loa (eye worm) hypothetical protein 0.0126 0.095 0.2443

Activities

Activity type Activity value Assay description Source Reference
Activity (functional) NOVARTIS: Antimalarial liver stage activity measured as a greater than 50% reduction in Plasmodium yoelii schizont area in HepG2-A16-CD81 cells at 10uM compound concentration, determined by immuno-fluorescence. ChEMBL. 22096101
CC50 (functional) > 10 uM Huh7 cytotoxicity for Pf inhibitors Novartis-GNF Malaria Box. No reference
CC50 > 10 uM NOVARTIS: Cytotoxicity against human hepatocellular carcinoma cell line (Huh7) ChEMBL. 18579783
EC50 (functional) = 0.514 uM W2 Pf proliferation inhibition Novartis-GNF Malaria Box. No reference
EC50 (functional) = 0.514 uM NOVARTIS: Inhibition of Plasmodium falciparum W2 (drug-resistant) proliferation in erythrocyte-based infection assay ChEMBL. 18579783
EC50 (functional) = 0.531 uM PF proliferation inhibition 3D7 Novartis-GNF Malaria Box. No reference
EC50 (functional) = 0.531 uM NOVARTIS: Inhibition of Plasmodium falciparum 3D7 (drug-susceptible) proliferation in erythrocyte-based infection assay ChEMBL. 18579783
IFI promiscuity index = 0.07692 IFI promiscuity index Novartis-GNF Malaria Box. No reference

Phenotypes

Whole-cell/tissue/organism interactions

Species name Source Reference Is orphan
Plasmodium falciparum ChEMBL23 18579783

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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