Detailed information for compound 1321168

Basic information

Technical information
  • TDR Targets ID: 1321168
  • Name: 6-(4-chlorophenyl)-8-[(3-methoxyphenyl)methyl ]-2-morpholin-4-ylpteridin-7-one
  • MW: 463.916 | Formula: C24H22ClN5O3
  • H donors: 0 H acceptors: 3 LogP: 3.32 Rotable bonds: 5
    Rule of 5 violations (Lipinski): 1
  • SMILES: COc1cccc(c1)Cn1c2nc(ncc2nc(c1=O)c1ccc(cc1)Cl)N1CCOCC1
  • InChi: 1S/C24H22ClN5O3/c1-32-19-4-2-3-16(13-19)15-30-22-20(14-26-24(28-22)29-9-11-33-12-10-29)27-21(23(30)31)17-5-7-18(25)8-6-17/h2-8,13-14H,9-12,15H2,1H3
  • InChiKey: WWTMTPBWLATWCJ-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

  • 6-(4-chlorophenyl)-8-[(3-methoxyphenyl)methyl]-2-morpholino-pteridin-7-one
  • 6-(4-chlorophenyl)-8-[(3-methoxyphenyl)methyl]-2-morpholino-7-pteridinone
  • 6-(4-chlorophenyl)-8-(3-methoxybenzyl)-2-morpholino-pteridin-7-one
  • 6-(4-chlorophenyl)-8-[(3-methoxyphenyl)methyl]-2-morpholin-4-yl-pteridin-7-one
  • NCGC00010364
  • PCOP-119243

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Homo sapiens ubiquitin specific peptidase 2 Starlite/ChEMBL No references
Homo sapiens hypoxia inducible factor 1, alpha subunit (basic helix-loop-helix transcription factor) Starlite/ChEMBL No references
Homo sapiens cytochrome P450, family 1, subfamily A, polypeptide 2 Starlite/ChEMBL No references
Bacillus anthracis Anthrax lethal factor Starlite/ChEMBL No references
Homo sapiens caspase 1, apoptosis-related cysteine peptidase Starlite/ChEMBL No references
Homo sapiens APEX nuclease (multifunctional DNA repair enzyme) 1 Starlite/ChEMBL No references
Homo sapiens caspase 7, apoptosis-related cysteine peptidase Starlite/ChEMBL No references

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Trypanosoma congolense ubiquitin carboxyl-terminal hydrolase, putative Get druggable targets OG5_127431 All targets in OG5_127431
Leishmania braziliensis ubiquitin hydrolase, putative,cysteine peptidase, Clan CA, family C19, putative Get druggable targets OG5_127431 All targets in OG5_127431
Schistosoma japonicum ko:K10771 AP endonuclease 1, putative Get druggable targets OG5_126768 All targets in OG5_126768
Trichomonas vaginalis ap endonuclease, putative Get druggable targets OG5_126768 All targets in OG5_126768
Trichomonas vaginalis Clan CA, family C19, ubiquitin hydrolase-like cysteine peptidase Get druggable targets OG5_127431 All targets in OG5_127431
Loa Loa (eye worm) hypoxia-induced factor 1 Get druggable targets OG5_131074 All targets in OG5_131074
Entamoeba histolytica exodeoxyribonuclease III, putative Get druggable targets OG5_126768 All targets in OG5_126768
Echinococcus granulosus caspase 3 Get druggable targets OG5_130238 All targets in OG5_130238
Trichomonas vaginalis Clan CA, family C19, ubiquitin hydrolase-like cysteine peptidase Get druggable targets OG5_127431 All targets in OG5_127431
Schistosoma mansoni caspase-3 (C14 family) Get druggable targets OG5_130238 All targets in OG5_130238
Leishmania donovani ubiquitin carboxyl-terminal hydrolase, putative Get druggable targets OG5_127431 All targets in OG5_127431
Leishmania infantum apurinic/apyrimidinic endonuclease-redox protein Get druggable targets OG5_126768 All targets in OG5_126768
Schistosoma japonicum ko:K02187 caspase 3, apoptosis-related cysteine protease, putative Get druggable targets OG5_130238 All targets in OG5_130238
Echinococcus granulosus ubiquitin carboxyl terminal hydrolase 8 Get druggable targets OG5_127431 All targets in OG5_127431
Trypanosoma cruzi apurinic/apyrimidinic endonuclease Get druggable targets OG5_126768 All targets in OG5_126768
Trypanosoma brucei gambiense apurinic/apyrimidinic endonuclease, putative Get druggable targets OG5_126768 All targets in OG5_126768
Trypanosoma congolense apurinic/apyrimidinic endonuclease, putative Get druggable targets OG5_126768 All targets in OG5_126768
Candida albicans ubiquitin-specific protease Get druggable targets OG5_127431 All targets in OG5_127431
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_127431 All targets in OG5_127431
Schistosoma japonicum ko:K01072 ubiquitin thiolesterase [EC3.1.2.15], putative Get druggable targets OG5_127431 All targets in OG5_127431
Schistosoma japonicum Ubiquitin carboxyl-terminal hydrolase 8, putative Get druggable targets OG5_127431 All targets in OG5_127431
Schistosoma japonicum ko:K04397 caspase 7, apoptosis-related cysteine protease, putative Get druggable targets OG5_130238 All targets in OG5_130238
Echinococcus granulosus DNA apurinic or apyrimidinic site lyase Get druggable targets OG5_126768 All targets in OG5_126768
Schistosoma mansoni ubiquitin-specific peptidase 2 (C19 family) Get druggable targets OG5_127431 All targets in OG5_127431
Echinococcus multilocularis caspase 3 Get druggable targets OG5_130238 All targets in OG5_130238
Neospora caninum hypothetical protein Get druggable targets OG5_126768 All targets in OG5_126768
Echinococcus multilocularis Peptidase C19, ubiquitin carboxyl terminal hydrolase 2 Get druggable targets OG5_127431 All targets in OG5_127431
Cryptosporidium parvum conserved hypothetical protein Get druggable targets OG5_126768 All targets in OG5_126768
Schistosoma mansoni caspase-7 (C14 family) Get druggable targets OG5_130238 All targets in OG5_130238
Plasmodium berghei AP endonuclease (DNA-[apurinic or apyrimidinic site] lyase), putative Get druggable targets OG5_126768 All targets in OG5_126768
Schistosoma mansoni ap endonuclease Get druggable targets OG5_126768 All targets in OG5_126768
Echinococcus multilocularis caspase Get druggable targets OG5_130238 All targets in OG5_130238
Echinococcus multilocularis DNA (apurinic or apyrimidinic site) lyase Get druggable targets OG5_126768 All targets in OG5_126768
Loa Loa (eye worm) exodeoxyribonuclease III family protein Get druggable targets OG5_126768 All targets in OG5_126768
Entamoeba histolytica ubiquitin carboxyl-terminal hydrolase domain containing protein Get druggable targets OG5_127431 All targets in OG5_127431
Trichomonas vaginalis conserved hypothetical protein Get druggable targets OG5_127431 All targets in OG5_127431
Schistosoma mansoni ap endonuclease Get druggable targets OG5_126768 All targets in OG5_126768
Schistosoma japonicum DNA-(apurinic or apyrimidinic site) lyase 2, putative Get druggable targets OG5_126768 All targets in OG5_126768
Trypanosoma cruzi ubiquitin carboxyl-terminal hydrolase, putative Get druggable targets OG5_127431 All targets in OG5_127431
Leishmania mexicana ubiquitin hydrolase, putative,cysteine peptidase, Clan CA, family C19, putative Get druggable targets OG5_127431 All targets in OG5_127431
Leishmania mexicana apurinic/apyrimidinic endonuclease-redox protein,AP-endonuclease Get druggable targets OG5_126768 All targets in OG5_126768
Brugia malayi hypothetical protein Get druggable targets OG5_131074 All targets in OG5_131074
Schistosoma japonicum ko:K10772 AP endonuclease 2, putative Get druggable targets OG5_126768 All targets in OG5_126768
Plasmodium knowlesi AP endonuclease (DNA-[apurinic or apyrimidinic site] lyase), putative Get druggable targets OG5_126768 All targets in OG5_126768
Trypanosoma brucei ubiquitin carboxyl-terminal hydrolase, putative Get druggable targets OG5_127431 All targets in OG5_127431
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_131074 All targets in OG5_131074
Echinococcus multilocularis ubiquitin carboxyl terminal hydrolase 8 Get druggable targets OG5_127431 All targets in OG5_127431
Treponema pallidum exodeoxyribonuclease (exoA) Get druggable targets OG5_126768 All targets in OG5_126768
Trypanosoma brucei apurinic/apyrimidinic endonuclease, putative Get druggable targets OG5_126768 All targets in OG5_126768
Echinococcus granulosus caspase 3 apoptosis cysteine peptidase Get druggable targets OG5_130238 All targets in OG5_130238
Giardia lamblia Endonuclease/Exonuclease/phosphatase Get druggable targets OG5_126768 All targets in OG5_126768
Cryptosporidium parvum ubiquitin C-terminal hydrolase of the cysteine proteinase fold Get druggable targets OG5_127431 All targets in OG5_127431
Schistosoma japonicum IPR015063,Domain of unknown function DUF1873,domain-containing Get druggable targets OG5_127431 All targets in OG5_127431
Candida albicans similar to S. cerevisiae APN2 (YBL019W) DNA repair apurinic/apyrimidinic endonuclease Get druggable targets OG5_126768 All targets in OG5_126768
Echinococcus multilocularis ubiquitin specific protease 41 Get druggable targets OG5_127431 All targets in OG5_127431
Plasmodium yoelii putative AP endonuclease-related Get druggable targets OG5_126768 All targets in OG5_126768
Echinococcus granulosus Peptidase C19 ubiquitin carboxyl terminal hydrolase 2 Get druggable targets OG5_127431 All targets in OG5_127431
Plasmodium falciparum AP endonuclease (DNA-[apurinic or apyrimidinic site] lyase), putative Get druggable targets OG5_126768 All targets in OG5_126768
Theileria parva hypothetical protein Get druggable targets OG5_126768 All targets in OG5_126768
Schistosoma japonicum hypothetical protein Get druggable targets OG5_127431 All targets in OG5_127431
Trypanosoma brucei gambiense ubiquitin carboxyl-terminal hydrolase, putative,cysteine peptidase, Clan CA, family C19, putative Get druggable targets OG5_127431 All targets in OG5_127431
Leishmania donovani apurinic/apyrimidinic endonuclease-redox protein Get druggable targets OG5_126768 All targets in OG5_126768
Toxoplasma gondii exonuclease III APE Get druggable targets OG5_126768 All targets in OG5_126768
Brugia malayi Ubiquitin carboxyl-terminal hydrolase family protein Get druggable targets OG5_127431 All targets in OG5_127431
Schistosoma japonicum DNA-(apurinic or apyrimidinic site) lyase 2, putative Get druggable targets OG5_126768 All targets in OG5_126768
Brugia malayi exodeoxyribonuclease III family protein Get druggable targets OG5_126768 All targets in OG5_126768
Cryptosporidium hominis ubiquitin specific protease 66 Get druggable targets OG5_127431 All targets in OG5_127431
Schistosoma japonicum Ubiquitin carboxyl-terminal hydrolase 8, putative Get druggable targets OG5_127431 All targets in OG5_127431
Giardia lamblia Ubiquitin carboxyl-terminal hydrolase 4 Get druggable targets OG5_127431 All targets in OG5_127431
Echinococcus granulosus caspase Get druggable targets OG5_130238 All targets in OG5_130238
Echinococcus granulosus ubiquitin specific protease 41 Get druggable targets OG5_127431 All targets in OG5_127431
Cryptosporidium hominis dna-(apurinic or apyrimidinic site) lyase Get druggable targets OG5_126768 All targets in OG5_126768
Plasmodium vivax AP endonuclease (DNA-[apurinic or apyrimidinic site] lyase), putative Get druggable targets OG5_126768 All targets in OG5_126768
Schistosoma japonicum expressed protein Get druggable targets OG5_127431 All targets in OG5_127431
Leishmania major ubiquitin hydrolase, putative,cysteine peptidase, Clan CA, family C19, putative Get druggable targets OG5_127431 All targets in OG5_127431
Trypanosoma cruzi apurinic/apyrimidinic endonuclease, putative Get druggable targets OG5_126768 All targets in OG5_126768
Leishmania major apurinic/apyrimidinic endonuclease-redox protein Get druggable targets OG5_126768 All targets in OG5_126768
Mycobacterium ulcerans exodeoxyribonuclease III protein XthA Get druggable targets OG5_126768 All targets in OG5_126768
Candida albicans similar to S. cerevisiae APN2 (YBL019W) DNA repair apurinic/apyrimidinic endonuclease Get druggable targets OG5_126768 All targets in OG5_126768
Trichomonas vaginalis ap endonuclease, putative Get druggable targets OG5_126768 All targets in OG5_126768
Mycobacterium tuberculosis Probable exodeoxyribonuclease III protein XthA (exonuclease III) (EXO III) (AP endonuclease VI) Get druggable targets OG5_126768 All targets in OG5_126768
Echinococcus multilocularis caspase 3, apoptosis cysteine peptidase Get druggable targets OG5_130238 All targets in OG5_130238
Wolbachia endosymbiont of Brugia malayi exonuclease III Get druggable targets OG5_126768 All targets in OG5_126768
Leishmania infantum ubiquitin hydrolase, putative,cysteine peptidase, Clan CA, family C19, putative Get druggable targets OG5_127431 All targets in OG5_127431
Brugia malayi hypoxia-induced factor 1 Get druggable targets OG5_131074 All targets in OG5_131074
Trypanosoma cruzi ubiquitin carboxyl-terminal hydrolase, putative Get druggable targets OG5_127431 All targets in OG5_127431
Leishmania braziliensis apurinic/apyrimidinic endonuclease-redox protein Get druggable targets OG5_126768 All targets in OG5_126768
Schistosoma mansoni ubiquitin-specific peptidase 8 (C19 family) Get druggable targets OG5_127431 All targets in OG5_127431
Schistosoma japonicum IPR001394,Peptidase C19, ubiquitin carboxyl-terminal hydrolase 2,domain-containing Get druggable targets OG5_127431 All targets in OG5_127431
By sequence similarity to non orthologous known druggable targets
Species Potential target Known druggable target Length Alignment span Identity
Brugia malayi Cell death protein 3 precursor caspase 7, apoptosis-related cysteine peptidase 303 aa 256 aa 37.1 %
Echinococcus granulosus caspase 8 caspase 1, apoptosis-related cysteine peptidase 383 aa 312 aa 26.6 %
Brugia malayi Cytochrome P450 family protein cytochrome P450, family 1, subfamily A, polypeptide 2 516 aa 470 aa 26.2 %
Plasmodium falciparum ubiquitin specific protease, putative ubiquitin specific peptidase 2 362 aa 378 aa 25.7 %
Obtained from network model

Ranking Plot

Putative Targets List

Species Potential target Raw Global Species
Loa Loa (eye worm) hypothetical protein 0.0047 0.0386 0.0302
Trypanosoma cruzi ubiquitin carboxyl-terminal hydrolase, putative 0.0045 0.033 0.1106
Trypanosoma brucei RNA helicase, putative 0.0253 0.5097 1
Echinococcus granulosus histone arginine methyltransferase CARMER 0.0034 0.0087 0.0147
Schistosoma mansoni ubiquitin-specific peptidase 2 (C19 family) 0.0045 0.033 0.033
Trichomonas vaginalis protein arginine N-methyltransferase, putative 0.0034 0.0087 0.1645
Onchocerca volvulus 0.005 0.0447 0.0361
Echinococcus granulosus CREB binding protein 0.01 0.1603 0.2697
Echinococcus granulosus caspase 2 0.0103 0.1667 0.2805
Schistosoma mansoni CREB-binding protein 1 (SmCBP1) 0.01 0.1603 0.1603
Brugia malayi Cell death protein 3 precursor 0.0103 0.1667 0.1594
Schistosoma mansoni CREB-binding protein 2 0.01 0.1603 0.1603
Echinococcus granulosus ectonucleotide pyrophosphatase:phosphodiesterase 0.0217 0.4262 0.7171
Trypanosoma brucei endonuclease G, putative 0.013 0.2285 0.4387
Echinococcus granulosus caspase 3 0.0088 0.1317 0.2215
Onchocerca volvulus 0.0217 0.4262 0.4211
Schistosoma mansoni ectonucleotide pyrophosphatase/phosphodiesterase 0.0034 0.0089 0.0089
Entamoeba histolytica phosphatidylinositol-glycan biosynthesis class O protein, putative 0.0034 0.0089 0.0024
Schistosoma mansoni endonuclease related 0.013 0.2285 0.2285
Onchocerca volvulus Cell death protein 3 homolog 0.0103 0.1667 0.1592
Onchocerca volvulus 0.0468 1 1
Echinococcus multilocularis ectonucleotide pyrophosphatase:phosphodiesterase 0.0034 0.0089 0.0209
Echinococcus multilocularis caspase 3 0.0088 0.1317 0.3089
Schistosoma mansoni caspase-7 (C14 family) 0.0141 0.2537 0.2537
Echinococcus multilocularis ectonucleotide pyrophosphatase:phosphodiesterase 0.0217 0.4262 1
Echinococcus multilocularis ectonucleotide pyrophosphatase:phosphodiesterase 0.0217 0.4262 1
Schistosoma mansoni caspase-3 (C14 family) 0.0141 0.2537 0.2537
Echinococcus granulosus Peptidase C19 ubiquitin carboxyl terminal hydrolase 2 0.0045 0.033 0.0556
Leishmania major metacaspase, putative 0.0053 0.0531 0.2322
Echinococcus granulosus ectonucleotide 0.0183 0.3483 0.5861
Brugia malayi hypothetical protein 0.0034 0.0089 0.0002
Echinococcus granulosus caspase 8 0.0053 0.0531 0.0893
Trichomonas vaginalis Clan CD, family C14, metacaspase-like cysteine peptidase 0.0053 0.0531 1
Leishmania major endonuclease G, putative 0.013 0.2285 1
Trichomonas vaginalis conserved hypothetical protein 0.0053 0.0531 1
Loa Loa (eye worm) type I phosphodiesterase/nucleotide pyrophosphatase 0.0034 0.0089 0.0002
Brugia malayi Type I phosphodiesterase / nucleotide pyrophosphatase family protein 0.0034 0.0089 0.0002
Entamoeba histolytica arginine N-methyltransferase protein, putative 0.0064 0.0777 1
Trypanosoma cruzi arginine N-methyltransferase, putative 0.0064 0.0777 0.3139
Loa Loa (eye worm) CBP-B 0.007 0.0902 0.0822
Leishmania major arginine N-methyltransferase, type III, putative;with=GeneDB:Tb927.7.5490 0.0034 0.0087 0.0382
Loa Loa (eye worm) hypothetical protein 0.005 0.0447 0.0363
Trypanosoma brucei ubiquitin carboxyl-terminal hydrolase, putative 0.0045 0.033 0.0485
Trypanosoma cruzi metacaspase 5, putative 0.0053 0.0531 0.2017
Schistosoma mansoni hypothetical protein 0.005 0.0447 0.0447
Echinococcus multilocularis ectonucleotide pyrophosphatase:phosphodiesterase 0.0183 0.3483 0.8173
Schistosoma mansoni hypothetical protein 0.0468 1 1
Schistosoma mansoni ectonucleotide pyrophosphatase/phosphodiesterase 0.0217 0.4262 0.4262
Loa Loa (eye worm) hypothetical protein 0.0103 0.1667 0.1594
Echinococcus granulosus probable protein arginine n-methyltransferase 0.029 0.5944 1
Schistosoma mansoni hypothetical protein 0.0034 0.0089 0.0089
Trypanosoma brucei metacaspase 0.0053 0.0531 0.0885
Schistosoma mansoni hypothetical protein 0.0034 0.0087 0.0087
Echinococcus multilocularis Peptidase C19, ubiquitin carboxyl terminal hydrolase 2 0.0045 0.033 0.0775
Plasmodium falciparum metacaspase-like protein 0.0053 0.0531 1
Echinococcus multilocularis ectonucleotide pyrophosphatase:phosphodiesterase 0.0217 0.4262 1
Trypanosoma cruzi metacaspase, putative 0.0053 0.0531 0.2017
Echinococcus granulosus transferase 0.0034 0.0089 0.015
Echinococcus multilocularis ectonucleotide pyrophosphatase:phosphodiesterase 0.0217 0.4262 1
Leishmania major DNA/RNA non-specific endonuclease-like protein 0.013 0.2285 1
Schistosoma mansoni hypothetical protein 0.0253 0.5097 0.5097
Loa Loa (eye worm) hypoxia-induced factor 1 0.0182 0.3464 0.3407
Echinococcus multilocularis caspase 8 0.0053 0.0531 0.1245
Schistosoma mansoni hypothetical protein 0.0034 0.0089 0.0089
Brugia malayi TAZ zinc finger family protein 0.01 0.1603 0.1529
Trypanosoma cruzi metacaspase, putative 0.0053 0.0531 0.2017
Echinococcus multilocularis transferase 0.0034 0.0089 0.0209
Schistosoma mansoni caspase-7 (C14 family) 0.0103 0.1667 0.1667
Trichomonas vaginalis Clan CD, family C14, metacaspase-like cysteine peptidase 0.0053 0.0531 1
Leishmania major ethanolamine phosphotransferase, putative 0.0034 0.0089 0.0389
Echinococcus granulosus ectonucleotide pyrophosphatase:phosphodiesterase 0.0183 0.3483 0.5861
Brugia malayi hypoxia-induced factor 1 0.0182 0.3464 0.3407
Echinococcus granulosus ectonucleotide pyrophosphatase:phosphodiesterase 0.0217 0.4262 0.7171
Trichomonas vaginalis Clan CD, family C14, metacaspase-like cysteine peptidase 0.0053 0.0531 1
Loa Loa (eye worm) thrombospondin type 1 domain-containing protein 0.0468 1 1
Echinococcus multilocularis Endonuclease G 0.013 0.2285 0.5361
Echinococcus granulosus ectonucleotide pyrophosphatase:phosphodiesterase 0.0217 0.4262 0.7171
Trichomonas vaginalis conserved hypothetical protein 0.0053 0.0531 1
Entamoeba histolytica phosphatidylinositol-glycan biosynthesis class O protein, putative 0.0034 0.0089 0.0024
Echinococcus multilocularis ubiquitin carboxyl terminal hydrolase 8 0.0045 0.033 0.0775
Trypanosoma brucei endonuclease G, putative 0.013 0.2285 0.4387
Schistosoma mansoni single-minded 0.0059 0.0652 0.0652
Echinococcus multilocularis ubiquitin specific protease 41 0.0045 0.033 0.0775
Brugia malayi hypothetical protein 0.0197 0.3813 0.3758
Onchocerca volvulus 0.0217 0.4262 0.4211
Echinococcus multilocularis ectonucleotide pyrophosphatase:phosphodiesterase 0.0034 0.0089 0.0209
Echinococcus granulosus ectonucleotide pyrophosphatase:phosphodiesterase 0.0217 0.4262 0.7171
Plasmodium falciparum GPI ethanolamine phosphate transferase 3, putative 0.0034 0.0089 0.1676
Echinococcus granulosus gpi ethanolamine phosphate transferase 3 0.0034 0.0089 0.015
Toxoplasma gondii DNA/RNA non-specific endonuclease 0.013 0.2285 1
Echinococcus multilocularis ectonucleotide pyrophosphatase:phosphodiesterase 0.0217 0.4262 1
Echinococcus multilocularis gpi ethanolamine phosphate transferase 3 0.0034 0.0089 0.0209
Trichomonas vaginalis Clan CD, family C14, metacaspase-like cysteine peptidase 0.0053 0.0531 1
Loa Loa (eye worm) hypothetical protein 0.0034 0.0089 0.0002
Echinococcus granulosus apoptotic protease activating factor 1 0.005 0.0447 0.0752
Loa Loa (eye worm) hypothetical protein 0.0034 0.0089 0.0002
Trypanosoma brucei metacaspase MCA3 0.0053 0.0531 0.0885
Echinococcus granulosus methyltransferase protein 5 0.0034 0.0087 0.0147
Plasmodium falciparum metacaspase 1 0.0053 0.0531 1
Trichomonas vaginalis Clan CD, family C14, metacaspase-like cysteine peptidase 0.0053 0.0531 1
Echinococcus multilocularis gpi ethanolamine phosphate transferase 1 0.0034 0.0089 0.0209
Brugia malayi AEL166Cp 0.0034 0.0089 0.0002
Brugia malayi Type I phosphodiesterase / nucleotide pyrophosphatase family protein 0.0217 0.4262 0.4212
Loa Loa (eye worm) hypothetical protein 0.0045 0.033 0.0245
Trypanosoma brucei GPI ethanolamine phosphate transferase 3, putative 0.0034 0.0089 0.0003
Loa Loa (eye worm) hypothetical protein 0.0053 0.0531 0.0447
Echinococcus multilocularis caspase 0.0141 0.2537 0.5952
Trypanosoma brucei metacaspase 5, putative 0.0053 0.0531 0.0885
Schistosoma mansoni hypothetical protein 0.0034 0.0089 0.0089
Trypanosoma cruzi metacaspase 5, putative 0.0053 0.0531 0.2017
Brugia malayi Ubiquitin carboxyl-terminal hydrolase family protein 0.0045 0.033 0.0245
Echinococcus multilocularis ectonucleotide pyrophosphatase:phosphodiesterase 0.0217 0.4262 1
Echinococcus multilocularis histone arginine methyltransferase CARMER 0.0034 0.0087 0.0205
Trypanosoma brucei metacaspase MCA2 0.0053 0.0531 0.0885
Brugia malayi bHLH-PAS transcription factor 0.0043 0.0303 0.0218
Toxoplasma gondii ICE family protease (caspase) p20 domain-containing protein 0.0053 0.0531 0.2322
Giardia lamblia Ubiquitin carboxyl-terminal hydrolase 4 0.0045 0.033 1
Echinococcus multilocularis caspase 3, apoptosis cysteine peptidase 0.0141 0.2537 0.5952
Brugia malayi hypothetical protein 0.005 0.0447 0.0363
Trichomonas vaginalis Clan CD, family C14, metacaspase-like cysteine peptidase 0.0053 0.0531 1
Trypanosoma cruzi endonuclease G, putative 0.013 0.2285 1
Echinococcus granulosus CREB binding protein 0.0062 0.0724 0.1218
Mycobacterium ulcerans putative regulatory protein 0.0043 0.0303 1
Echinococcus granulosus protein arginine N methyltransferase 7 0.0034 0.0087 0.0147
Schistosoma mansoni ectonucleotide pyrophosphatase/phosphodiesterase 0.0217 0.4262 0.4262
Echinococcus granulosus ubiquitin carboxyl terminal hydrolase 8 0.0045 0.033 0.0556
Toxoplasma gondii ICE family protease (caspase) p20 domain-containing protein 0.0053 0.0531 0.2322
Echinococcus multilocularis protein arginine N methyltransferase 7 0.0034 0.0087 0.0205
Toxoplasma gondii histone arginine methyltransferase PRMT4/CARM1 0.0034 0.0087 0.0382
Trypanosoma cruzi arginine N-methyltransferase, putative 0.0064 0.0777 0.3139
Echinococcus granulosus single minded 2 0.0043 0.0303 0.0511
Toxoplasma gondii bicoid-interacting protein BIN3 0.0034 0.0087 0.0382
Loa Loa (eye worm) hypothetical protein 0.0034 0.0089 0.0002
Trypanosoma cruzi endonuclease G, putative 0.013 0.2285 1
Loa Loa (eye worm) hypothetical protein 0.0183 0.3483 0.3426
Toxoplasma gondii ICE family protease (caspase) p20 domain-containing protein 0.0053 0.0531 0.2322
Schistosoma mansoni ectonucleotide pyrophosphatase/phosphodiesterase 0.0217 0.4262 0.4262
Loa Loa (eye worm) hypothetical protein 0.0217 0.4262 0.4212
Trichomonas vaginalis Clan CD, family C14, metacaspase-like cysteine peptidase 0.0053 0.0531 1
Trichomonas vaginalis conserved hypothetical protein 0.0053 0.0531 1
Echinococcus multilocularis apoptotic protease activating factor 1 0.005 0.0447 0.1048
Schistosoma mansoni aryl hydrocarbon receptor 0.0059 0.0652 0.0652
Toxoplasma gondii histone arginine methyltransferase PRMT3 0.0034 0.0087 0.0382
Trichomonas vaginalis protein arginine N-methyltransferase, putative 0.0034 0.0087 0.1645
Loa Loa (eye worm) hypothetical protein 0.0217 0.4262 0.4212
Trichomonas vaginalis Clan CD, family C14, metacaspase-like cysteine peptidase 0.0053 0.0531 1
Trichomonas vaginalis conserved hypothetical protein 0.0053 0.0531 1
Echinococcus multilocularis caspase 2 0.0103 0.1667 0.3912
Entamoeba histolytica ubiquitin carboxyl-terminal hydrolase domain containing protein 0.0045 0.033 0.3523
Brugia malayi endonuclease G, mitochondrial precursor 0.013 0.2285 0.2217
Schistosoma mansoni protein arginine n-methyltransferase 0.0034 0.0087 0.0087
Entamoeba histolytica hypothetical protein 0.0064 0.0777 1
Leishmania major ubiquitin hydrolase, putative,cysteine peptidase, Clan CA, family C19, putative 0.0045 0.033 0.1446
Loa Loa (eye worm) hypothetical protein 0.0217 0.4262 0.4212
Trypanosoma brucei Metacaspase-4 0.0053 0.0531 0.0885
Echinococcus granulosus Endonuclease G 0.013 0.2285 0.3844
Brugia malayi mucosa associated lymphoid tissue lymphoma translocation protein 1 0.0053 0.0531 0.0447
Trichomonas vaginalis protein arginine N-methyltransferase, putative 0.0034 0.0087 0.1645
Leishmania major arginine N-methyltransferase, type I 0.0034 0.0087 0.0382
Loa Loa (eye worm) hypothetical protein 0.0197 0.3813 0.3758
Trichomonas vaginalis conserved hypothetical protein 0.0053 0.0531 1
Echinococcus granulosus ectonucleotide pyrophosphatase:phosphodiesterase 0.0034 0.0089 0.015
Brugia malayi hypothetical protein 0.0034 0.0089 0.0002
Echinococcus granulosus caspase 0.0141 0.2537 0.4268
Echinococcus multilocularis CREB binding protein 0.0069 0.0882 0.207
Trypanosoma cruzi ubiquitin carboxyl-terminal hydrolase, putative 0.0045 0.033 0.1106
Trichomonas vaginalis Clan CA, family C19, ubiquitin hydrolase-like cysteine peptidase 0.0045 0.033 0.6227
Plasmodium vivax hypothetical protein, conserved 0.0053 0.0531 1
Echinococcus multilocularis Alkaline phosphatase, core domain 0.0034 0.0089 0.0209
Trichomonas vaginalis Clan CA, family C19, ubiquitin hydrolase-like cysteine peptidase 0.0045 0.033 0.6227
Loa Loa (eye worm) hypothetical protein 0.0064 0.0777 0.0696
Schistosoma mansoni hypothetical protein 0.0034 0.0089 0.0089
Brugia malayi hypothetical protein 0.0064 0.0777 0.0696
Echinococcus granulosus caspase 3 apoptosis cysteine peptidase 0.0141 0.2537 0.4268
Echinococcus granulosus ubiquitin specific protease 41 0.0045 0.033 0.0556
Trypanosoma cruzi metacaspase, putative 0.0053 0.0531 0.2017
Brugia malayi PAS domain containing protein 0.0059 0.0652 0.057
Echinococcus multilocularis transfer RNA-Lys 0.0043 0.0303 0.0712
Trichomonas vaginalis conserved hypothetical protein 0.0053 0.0531 1
Mycobacterium leprae hypothetical protein 0.0034 0.0089 0.5
Schistosoma mansoni subfamily C14A unassigned peptidase (C14 family) 0.0053 0.0531 0.0531
Echinococcus granulosus ectonucleotide pyrophosphatase:phosphodiesterase 0.0217 0.4262 0.7171
Schistosoma mansoni ectonucleotide pyrophosphatase/phosphodiesterase 0.0217 0.4262 0.4262
Trypanosoma cruzi metacaspase, putative 0.0053 0.0531 0.2017
Trichomonas vaginalis conserved hypothetical protein 0.0045 0.033 0.6227
Trypanosoma cruzi DNA/RNA non-specific endonuclease protein-like, putative 0.013 0.2285 1
Loa Loa (eye worm) hypothetical protein 0.0034 0.0089 0.0002
Trichomonas vaginalis Clan CD, family C14, metacaspase-like cysteine peptidase 0.0053 0.0531 1
Onchocerca volvulus 0.0043 0.0303 0.0216
Echinococcus multilocularis ectonucleotide 0.0183 0.3483 0.8173
Plasmodium vivax metacaspase 1, putative 0.0053 0.0531 1
Schistosoma mansoni ubiquitin-specific peptidase 8 (C19 family) 0.0045 0.033 0.033
Trypanosoma brucei endonuclease G, putative 0.013 0.2285 0.4387
Trypanosoma brucei Protein arginine N-methyltransferase 1 catalytic subunit 0.0064 0.0777 0.1377
Trypanosoma cruzi DNA/RNA non-specific endonuclease protein-like, putative 0.013 0.2285 1

Activities

Activity type Activity value Assay description Source Reference
AC50 (functional) PUBCHEM_BIOASSAY: Cytochrome panel assay with activity outcomes. (Class of assay: other) Panel member name: p450-cyp3a4 Compounds with AC50 equal or less than 10 uM are considered active ChEMBL. No reference
AC50 (functional) PUBCHEM_BIOASSAY: Cytochrome panel assay with activity outcomes. (Class of assay: other) Panel member name: p450-cyp2c19 Compounds with AC50 equal or less than 10 uM are considered active ChEMBL. No reference
AC50 (functional) PUBCHEM_BIOASSAY: Cytochrome panel assay with activity outcomes. (Class of assay: other) Panel member name: p450-cyp2c9 Compounds with AC50 equal or less than 10 uM are considered active ChEMBL. No reference
AC50 (functional) PUBCHEM_BIOASSAY: Cytochrome panel assay with activity outcomes. (Class of assay: other) Panel member name: p450-cyp2d6 Compounds with AC50 equal or less than 10 uM are considered active ChEMBL. No reference
AC50 (functional) = 12.58925412 uM PUBCHEM_BIOASSAY: Cytochrome panel assay with activity outcomes. (Class of assay: other) Panel member name: p450-cyp1a2 Compounds with AC50 equal or less than 10 uM are considered active ChEMBL. No reference
Potency (functional) = 0.631 um PUBCHEM_BIOASSAY: qHTS Assay for Allosteric/Competitive Inhibitors of Caspase-7. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) = 1 um PUBCHEM_BIOASSAY: qHTS Assay for Allosteric/Competitive Inhibitors of Caspase-1. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) = 1.5849 um PUBCHEM_BIOASSAY: qHTS Assay for Identification of Small Molecule Agonists for Hypoxia Response Element Signaling Pathway. (Class of assay: confirmatory) [Related pubchem assays: 915 ] ChEMBL. No reference
Potency (functional) = 1.5849 um PUBCHEM_BIOASSAY: qHTS Assay for Identification of Small Molecule Antagonists for Hypoxia Response Element Signaling Pathway. (Class of assay: confirmatory) [Related pubchem assays: 914 ] ChEMBL. No reference
Potency (functional) = 1.5849 um PUBCHEM_BIOASSAY: qHTS Assay for Anthrax Lethal Toxin Internalization. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 7.9433 uM PubChem BioAssay. qHTS Assay for Inhibitors of the Human Apurinic/apyrimidinic Endonuclease 1 (APE1). (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) = 12.5893 um PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of Ubiquitin-specific Protease USP2a. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) = 35.4813 um PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of Aldehyde Dehydrogenase 1 (ALDH1A1). (Class of assay: confirmatory) [Related pubchem assays: 1030 (qHTS Validation Assay for Inhibitors of aldehyde dehydrogenase 1 (ALDH1A1))] ChEMBL. No reference
Potency (functional) = 39.8107 um PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of HSD17B4, hydroxysteroid (17-beta) dehydrogenase 4. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) = 39.8107 um PUBCHEM_BIOASSAY: qHTS Assay for Agonists of the Thyroid Stimulating Hormone Receptor. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) = 39.8107 um PUBCHEM_BIOASSAY: qHTS Assay for Agonists of the Thyroid Stimulating Hormone Receptor: Activators of Intracellular cAMP Concentrations in Parental HEK 293. (Class of assay: confirmatory) ChEMBL. No reference

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.
 
In any case, if you have information about papers containing relevant validation data for this target, please log in using your TDR Targets username and password and send them to us using the corresponding form in this page (only visible to registered users) or contact us.

External resources for this compound

Bibliographic References

No literature references available for this target.

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