Detailed information for compound 1428316

Basic information

Technical information
  • TDR Targets ID: 1428316
  • Name: 2-(2,5-dimethoxyphenyl)sulfonyl-N-(1,3-thiazo l-2-yl)-3,4-dihydro-1H-isoquinoline-3-carboxa mide
  • MW: 459.539 | Formula: C21H21N3O5S2
  • H donors: 1 H acceptors: 4 LogP: 2.84 Rotable bonds: 7
    Rule of 5 violations (Lipinski): 1
  • SMILES: COc1ccc(c(c1)S(=O)(=O)N1Cc2ccccc2CC1C(=O)Nc1nccs1)OC
  • InChi: 1S/C21H21N3O5S2/c1-28-16-7-8-18(29-2)19(12-16)31(26,27)24-13-15-6-4-3-5-14(15)11-17(24)20(25)23-21-22-9-10-30-21/h3-10,12,17H,11,13H2,1-2H3,(H,22,23,25)
  • InChiKey: BZKHYBZITRZJFN-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

  • 2-(2,5-dimethoxyphenyl)sulfonyl-N-thiazol-2-yl-3,4-dihydro-1H-isoquinoline-3-carboxamide
  • 2-(2,5-dimethoxyphenyl)sulfonyl-N-(2-thiazolyl)-3,4-dihydro-1H-isoquinoline-3-carboxamide
  • 2-[(2,5-dimethoxyphenyl)sulfonyl]-N-1,3-thiazol-2-yl-1,2,3,4-tetrahydro-3-isoquinolinecarboxamide
  • MLS000051441
  • SMR000079767

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Homo sapiens RAB9A, member RAS oncogene family Starlite/ChEMBL No references
Homo sapiens K(lysine) acetyltransferase 2A Starlite/ChEMBL No references
Homo sapiens ubiquitin specific peptidase 2 Starlite/ChEMBL No references
Homo sapiens snurportin 1 No references
Homo sapiens karyopherin (importin) beta 1 No references
Homo sapiens RAN, member RAS oncogene family No references
Escherichia coli penicillin-binding protein Starlite/ChEMBL No references
Homo sapiens ATPase family, AAA domain containing 5 Starlite/ChEMBL No references

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Echinococcus multilocularis atpase aaa+ type core atpase aaa type core Get druggable targets OG5_139225 All targets in OG5_139225
Candida albicans karyopherin-beta Get druggable targets OG5_127843 All targets in OG5_127843
Entamoeba histolytica Ran family GTPase Get druggable targets OG5_127514 All targets in OG5_127514
Trypanosoma brucei importin beta-1 subunit, putative Get druggable targets OG5_127843 All targets in OG5_127843
Brugia malayi GTP-binding nuclear protein RAN/TC4 Get druggable targets OG5_127514 All targets in OG5_127514
Cryptosporidium hominis importin-beta2 Get druggable targets OG5_127843 All targets in OG5_127843
Echinococcus multilocularis importin subunit beta 1 Get druggable targets OG5_127843 All targets in OG5_127843
Toxoplasma gondii GTP-binding nuclear protein ran/tc4 Get druggable targets OG5_127514 All targets in OG5_127514
Plasmodium knowlesi importin beta, putative Get druggable targets OG5_127843 All targets in OG5_127843
Trypanosoma brucei gambiense importin beta-1 subunit, putative Get druggable targets OG5_127843 All targets in OG5_127843
Leishmania mexicana GTP-binding protein, putative Get druggable targets OG5_127514 All targets in OG5_127514
Plasmodium vivax histone acetyltransferase GCN5, putative Get druggable targets OG5_127781 All targets in OG5_127781
Plasmodium vivax importin-beta 2, putative Get druggable targets OG5_127843 All targets in OG5_127843
Loa Loa (eye worm) nucleolar RNA-associated protein alpha Get druggable targets OG5_131808 All targets in OG5_131808
Echinococcus granulosus histone acetyltransferase KAT2B Get druggable targets OG5_127781 All targets in OG5_127781
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
Trichomonas vaginalis Clan CA, family C19, ubiquitin hydrolase-like cysteine peptidase Get druggable targets OG5_127431 All targets in OG5_127431
Trypanosoma congolense GTP-binding nuclear protein rtb2, putative Get druggable targets OG5_127514 All targets in OG5_127514
Entamoeba histolytica ubiquitin carboxyl-terminal hydrolase domain containing protein Get druggable targets OG5_127431 All targets in OG5_127431
Cryptosporidium hominis histone acetyltransferase Get druggable targets OG5_127781 All targets in OG5_127781
Leishmania major importin beta-1 subunit, putative Get druggable targets OG5_127843 All targets in OG5_127843
Schistosoma mansoni hypothetical protein Get druggable targets OG5_131808 All targets in OG5_131808
Schistosoma japonicum Ubiquitin carboxyl-terminal hydrolase 8, putative Get druggable targets OG5_127431 All targets in OG5_127431
Neospora caninum GTP-binding nuclear protein Ran, related Get druggable targets OG5_127514 All targets in OG5_127514
Babesia bovis histone acetyltransferase Get druggable targets OG5_127781 All targets in OG5_127781
Trypanosoma congolense importin beta-1 subunit, putative Get druggable targets OG5_127843 All targets in OG5_127843
Neospora caninum hypothetical protein Get druggable targets OG5_127843 All targets in OG5_127843
Cryptosporidium parvum GCN5 like acetylase + bromodomain Get druggable targets OG5_127781 All targets in OG5_127781
Echinococcus granulosus Peptidase C19 ubiquitin carboxyl terminal hydrolase 2 Get druggable targets OG5_127431 All targets in OG5_127431
Plasmodium falciparum histone acetyltransferase GCN5 Get druggable targets OG5_127781 All targets in OG5_127781
Schistosoma mansoni ubiquitin-specific peptidase 2 (C19 family) Get druggable targets OG5_127431 All targets in OG5_127431
Candida albicans Ran, Ras family GTP-binding protein Get druggable targets OG5_127514 All targets in OG5_127514
Echinococcus granulosus importin subunit beta 1 Get druggable targets OG5_127843 All targets in OG5_127843
Candida albicans bromodomain protein similar to S. cerevisiae GCN5 (YGR252W) histone acetyltransferase Get druggable targets OG5_127781 All targets in OG5_127781
Brugia malayi RNA, U transporter 1 Get druggable targets OG5_131808 All targets in OG5_131808
Plasmodium berghei histone acetyltransferase GCN5, putative Get druggable targets OG5_127781 All targets in OG5_127781
Plasmodium yoelii importin beta-1 subunit Get druggable targets OG5_127843 All targets in OG5_127843
Leishmania infantum importin beta-1 subunit, putative Get druggable targets OG5_127843 All targets in OG5_127843
Leishmania donovani importin beta-1 subunit, putative Get druggable targets OG5_127843 All targets in OG5_127843
Toxoplasma gondii HEAT repeat-containing protein Get druggable targets OG5_127843 All targets in OG5_127843
Schistosoma japonicum IPR015063,Domain of unknown function DUF1873,domain-containing Get druggable targets OG5_127431 All targets in OG5_127431
Schistosoma japonicum ko:K07936 GTP-binding nuclear protein Ran, putative Get druggable targets OG5_127514 All targets in OG5_127514
Echinococcus multilocularis Peptidase C19, ubiquitin carboxyl terminal hydrolase 2 Get druggable targets OG5_127431 All targets in OG5_127431
Theileria parva importin beta, putative Get druggable targets OG5_127843 All targets in OG5_127843
Trichomonas vaginalis Clan CA, family C19, ubiquitin hydrolase-like cysteine peptidase Get druggable targets OG5_127431 All targets in OG5_127431
Echinococcus multilocularis gcn5proteinral control of amino acid synthesis Get druggable targets OG5_127781 All targets in OG5_127781
Trypanosoma congolense ubiquitin carboxyl-terminal hydrolase, putative Get druggable targets OG5_127431 All targets in OG5_127431
Echinococcus granulosus ubiquitin specific protease 41 Get druggable targets OG5_127431 All targets in OG5_127431
Cryptosporidium parvum GTP-binding nuclear protein ran/tc4 Get druggable targets OG5_127514 All targets in OG5_127514
Theileria parva histone acetyltransferase Gcn5, putative Get druggable targets OG5_127781 All targets in OG5_127781
Leishmania braziliensis importin beta-1 subunit, putative Get druggable targets OG5_127843 All targets in OG5_127843
Trypanosoma cruzi importin beta-1 subunit, putative Get druggable targets OG5_127843 All targets in OG5_127843
Trichomonas vaginalis Importin beta-1 subunit, putative Get druggable targets OG5_127843 All targets in OG5_127843
Toxoplasma gondii histone lysine acetyltransferase GCN5-A Get druggable targets OG5_127781 All targets in OG5_127781
Trichomonas vaginalis conserved hypothetical protein Get druggable targets OG5_127431 All targets in OG5_127431
Babesia bovis GTP-binding nuclear protein Ran Get druggable targets OG5_127514 All targets in OG5_127514
Trypanosoma brucei GTP-binding nuclear protein rtb2, putative Get druggable targets OG5_127514 All targets in OG5_127514
Cryptosporidium hominis ubiquitin specific protease 66 Get druggable targets OG5_127431 All targets in OG5_127431
Echinococcus multilocularis GTP binding nuclear protein Ran Get druggable targets OG5_127514 All targets in OG5_127514
Schistosoma japonicum Importin subunit beta, putative Get druggable targets OG5_127843 All targets in OG5_127843
Neospora caninum hypothetical protein Get druggable targets OG5_127781 All targets in OG5_127781
Schistosoma mansoni ran Get druggable targets OG5_127514 All targets in OG5_127514
Echinococcus granulosus GTP binding nuclear protein Ran Get druggable targets OG5_127514 All targets in OG5_127514
Trichomonas vaginalis bromodomain-containing protein, putative Get druggable targets OG5_127781 All targets in OG5_127781
Echinococcus multilocularis ubiquitin specific protease 41 Get druggable targets OG5_127431 All targets in OG5_127431
Toxoplasma gondii histone lysine acetyltransferase GCN5-B Get druggable targets OG5_127781 All targets in OG5_127781
Trichomonas vaginalis importin beta-1, putative Get druggable targets OG5_127843 All targets in OG5_127843
Trypanosoma cruzi ubiquitin carboxyl-terminal hydrolase, putative Get druggable targets OG5_127431 All targets in OG5_127431
Trypanosoma cruzi GTP-binding nuclear protein rtb2, putative Get druggable targets OG5_127514 All targets in OG5_127514
Trypanosoma cruzi GTP-binding nuclear protein rtb2, putative Get druggable targets OG5_127514 All targets in OG5_127514
Loa Loa (eye worm) GTP-binding nuclear protein RAN/TC4 Get druggable targets OG5_127514 All targets in OG5_127514
Plasmodium berghei GTP-binding nuclear protein RAN/TC4, putative Get druggable targets OG5_127514 All targets in OG5_127514
Leishmania mexicana ubiquitin hydrolase, putative,cysteine peptidase, Clan CA, family C19, putative Get druggable targets OG5_127431 All targets in OG5_127431
Echinococcus granulosus ubiquitin carboxyl terminal hydrolase 8 Get druggable targets OG5_127431 All targets in OG5_127431
Echinococcus granulosus histone acetyltransferase KAT2B Get druggable targets OG5_127781 All targets in OG5_127781
Leishmania donovani ubiquitin carboxyl-terminal hydrolase, putative Get druggable targets OG5_127431 All targets in OG5_127431
Giardia lamblia GTP-binding nuclear protein RAN/TC4 Get druggable targets OG5_127514 All targets in OG5_127514
Trichomonas vaginalis cat eye syndrome critical region protein 2, cscr2, putative Get druggable targets OG5_127781 All targets in OG5_127781
Plasmodium vivax GTP-binding nuclear protein RAN/TC4, putative Get druggable targets OG5_127514 All targets in OG5_127514
Trichomonas vaginalis Importin beta-1 subunit, putative Get druggable targets OG5_127843 All targets in OG5_127843
Cryptosporidium parvum ubiquitin C-terminal hydrolase of the cysteine proteinase fold Get druggable targets OG5_127431 All targets in OG5_127431
Theileria parva GTP-binding nuclear protein ran, putative Get druggable targets OG5_127514 All targets in OG5_127514
Trypanosoma cruzi ubiquitin carboxyl-terminal hydrolase, putative Get druggable targets OG5_127431 All targets in OG5_127431
Candida albicans bromodomain protein similar to S. cerevisiae GCN5 (YGR252W) histone acetyltransferase Get druggable targets OG5_127781 All targets in OG5_127781
Leishmania mexicana importin beta-1 subunit, putative Get druggable targets OG5_127843 All targets in OG5_127843
Echinococcus multilocularis ubiquitin carboxyl terminal hydrolase 8 Get druggable targets OG5_127431 All targets in OG5_127431
Neospora caninum Bromodomain containing protein, related Get druggable targets OG5_127781 All targets in OG5_127781
Candida albicans Ran, Ras family GTP-binding protein Get druggable targets OG5_127514 All targets in OG5_127514
Plasmodium berghei importin beta, putative Get druggable targets OG5_127843 All targets in OG5_127843
Leishmania infantum ubiquitin hydrolase, putative,cysteine peptidase, Clan CA, family C19, putative Get druggable targets OG5_127431 All targets in OG5_127431
Brugia malayi acetyltransferase, GNAT family protein Get druggable targets OG5_127781 All targets in OG5_127781
Cryptosporidium parvum importin/karyopherin Get druggable targets OG5_127843 All targets in OG5_127843
Babesia bovis importin beta subunit, putative Get druggable targets OG5_127843 All targets in OG5_127843
Leishmania major GTP-binding protein, putative Get druggable targets OG5_127514 All targets in OG5_127514
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:K06062 p300/CBP-associated factor, putative Get druggable targets OG5_127781 All targets in OG5_127781
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_127431 All targets in OG5_127431
Leishmania braziliensis GTP-binding protein, putative Get druggable targets OG5_127514 All targets in OG5_127514
Schistosoma mansoni ran Get druggable targets OG5_127514 All targets in OG5_127514
Candida albicans ubiquitin-specific protease Get druggable targets OG5_127431 All targets in OG5_127431
Cryptosporidium hominis GTP-binding nuclear protein ran/tc4 Get druggable targets OG5_127514 All targets in OG5_127514
Schistosoma japonicum expressed protein Get druggable targets OG5_127431 All targets in OG5_127431
Plasmodium knowlesi GTP-binding nuclear protein RAN/TC4, putative Get druggable targets OG5_127514 All targets in OG5_127514
Trypanosoma brucei ubiquitin carboxyl-terminal hydrolase, putative Get druggable targets OG5_127431 All targets in OG5_127431
Schistosoma mansoni gcn5proteinral control of amino-acid synthesis 5-like 2 gcnl2 Get druggable targets OG5_127781 All targets in OG5_127781
Schistosoma mansoni importin beta-1 Get druggable targets OG5_127843 All targets in OG5_127843
Plasmodium falciparum GTP-binding nuclear protein RAN/TC4 Get druggable targets OG5_127514 All targets in OG5_127514
Trichomonas vaginalis ran, putative Get druggable targets OG5_127514 All targets in OG5_127514
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_127843 All targets in OG5_127843
Schistosoma japonicum IPR001394,Peptidase C19, ubiquitin carboxyl-terminal hydrolase 2,domain-containing Get druggable targets OG5_127431 All targets in OG5_127431
Trypanosoma brucei gambiense GTP-binding nuclear protein rtb2, putative Get druggable targets OG5_127514 All targets in OG5_127514
Entamoeba histolytica hypothetical protein Get druggable targets OG5_127843 All targets in OG5_127843
Plasmodium knowlesi histone acetyltransferase GCN5, putative Get druggable targets OG5_127781 All targets in OG5_127781
Schistosoma japonicum Snurportin-1, putative Get druggable targets OG5_131808 All targets in OG5_131808
Echinococcus multilocularis snurportin 1 Get druggable targets OG5_131808 All targets in OG5_131808
Schistosoma mansoni ubiquitin-specific peptidase 8 (C19 family) Get druggable targets OG5_127431 All targets in OG5_127431
Plasmodium yoelii GTP-binding nuclear protein ran/tc4 Get druggable targets OG5_127514 All targets in OG5_127514
Leishmania infantum GTP-binding protein, putative Get druggable targets OG5_127514 All targets in OG5_127514
Leishmania major ubiquitin hydrolase, putative,cysteine peptidase, Clan CA, family C19, putative Get druggable targets OG5_127431 All targets in OG5_127431
Plasmodium yoelii histone acetyltransferase GCN5-related Get druggable targets OG5_127781 All targets in OG5_127781
Plasmodium falciparum importin beta, putative Get druggable targets OG5_127843 All targets in OG5_127843
Schistosoma japonicum ko:K01072 ubiquitin thiolesterase [EC3.1.2.15], putative Get druggable targets OG5_127431 All targets in OG5_127431
Giardia lamblia Histone acetyltransferase GCN5 Get druggable targets OG5_127781 All targets in OG5_127781
Mycobacterium tuberculosis Possible penicillin-binding protein Get druggable targets OG5_149948 All targets in OG5_149948
Schistosoma japonicum Importin subunit beta-1, putative Get druggable targets OG5_127843 All targets in OG5_127843
Loa Loa (eye worm) acetyltransferase Get druggable targets OG5_127781 All targets in OG5_127781
Entamoeba histolytica acetyltransferase, GNAT family Get druggable targets OG5_127781 All targets in OG5_127781
Brugia malayi Ubiquitin carboxyl-terminal hydrolase family protein 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
Candida albicans karyopherin-beta Get druggable targets OG5_127843 All targets in OG5_127843
Schistosoma japonicum Ubiquitin carboxyl-terminal hydrolase 8, putative Get druggable targets OG5_127431 All targets in OG5_127431
Brugia malayi Importin beta-1 subunit Get druggable targets OG5_127843 All targets in OG5_127843
Schistosoma japonicum hypothetical protein Get druggable targets OG5_127431 All targets in OG5_127431
Echinococcus granulosus snurportin 1 Get druggable targets OG5_131808 All targets in OG5_131808
Trypanosoma brucei importin beta-1 subunit, putative Get druggable targets OG5_127843 All targets in OG5_127843
Leishmania donovani GTP-binding protein, putative Get druggable targets OG5_127514 All targets in OG5_127514
By sequence similarity to non orthologous known druggable targets
Species Potential target Known druggable target Length Alignment span Identity
Plasmodium falciparum ras-related protein Rab-5B RAB9A, member RAS oncogene family 201 aa 165 aa 30.9 %
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
Brugia malayi Nuclear hormone receptor-like 1 0.0075 0.0496 0.0519
Entamoeba histolytica steroid 5-alpha reductase, putative 0.0155 0.1337 1
Schistosoma mansoni steroid hormone receptor ad4bp 0.0106 0.0819 0.2211
Echinococcus granulosus snurportin 1 0.0372 0.3612 1
Loa Loa (eye worm) nuclear hormone receptor family member nhr-41 0.0106 0.0819 0.0877
Trypanosoma cruzi ubiquitin carboxyl-terminal hydrolase, putative 0.0045 0.0173 0.1291
Echinococcus granulosus nuclear receptor 2DBD gamma 0.0106 0.0819 0.2211
Schistosoma mansoni family S12 unassigned peptidase (S12 family) 0.0043 0.016 0.0374
Loa Loa (eye worm) acetyltransferase 0.0175 0.1544 0.1678
Loa Loa (eye worm) hypothetical protein 0.0106 0.0819 0.0877
Brugia malayi nuclear hormone receptor 0.0106 0.0819 0.0877
Brugia malayi steroid hormone receptor 0.0106 0.0819 0.0877
Loa Loa (eye worm) hypothetical protein 0.0106 0.0819 0.0877
Entamoeba histolytica ubiquitin carboxyl-terminal hydrolase domain containing protein 0.0045 0.0173 0.1291
Brugia malayi Nuclear hormone receptor family member nhr-3 0.0106 0.0819 0.0877
Trichomonas vaginalis Clan CA, family C19, ubiquitin hydrolase-like cysteine peptidase 0.0045 0.0173 0.1291
Trichomonas vaginalis conserved hypothetical protein 0.0045 0.0173 0.1291
Echinococcus multilocularis Peptidase C19, ubiquitin carboxyl terminal hydrolase 2 0.0045 0.0173 0.0147
Brugia malayi beta-lactamase 0.0043 0.016 0.0148
Schistosoma mansoni thyroid hormone receptor 0.0106 0.0819 0.2211
Echinococcus granulosus retinoic acid receptor rxr beta a 0.0106 0.0819 0.2211
Mycobacterium ulcerans hypothetical protein 0.0155 0.1337 1
Loa Loa (eye worm) hypothetical protein 0.0043 0.016 0.0148
Mycobacterium leprae Probable lipase LipE 0.0043 0.016 0.5
Schistosoma mansoni retinoid-x-receptor (RXR) 0.0075 0.0496 0.131
Brugia malayi RNA, U transporter 1 0.0099 0.0744 0.0794
Loa Loa (eye worm) nuclear Hormone Receptor family member 0.0106 0.0819 0.0877
Onchocerca volvulus 0.0106 0.0819 0.0877
Schistosoma mansoni importin beta-1 0.0035 0.0069 0.012
Loa Loa (eye worm) hypothetical protein 0.0891 0.9068 1
Echinococcus granulosus ubiquitin carboxyl terminal hydrolase 8 0.0045 0.0173 0.0408
Echinococcus multilocularis FTZ F1 nuclear receptor protein 0.0106 0.0819 0.0795
Trichomonas vaginalis penicillin-binding protein, putative 0.0043 0.016 0.1199
Trichomonas vaginalis penicillin-binding protein, putative 0.0043 0.016 0.1199
Trypanosoma brucei 3-oxo-5-alpha-steroid 4-dehydrogenase-like, putative 0.0155 0.1337 1
Trichomonas vaginalis D-aminoacylase, putative 0.0043 0.016 0.1199
Trypanosoma cruzi 3-oxo-5-alpha-steroid 4-dehydrogenase, putative 0.0155 0.1337 1
Schistosoma mansoni Tr4/Tr2 (homologue) 0.0106 0.0819 0.2211
Schistosoma mansoni gcn5proteinral control of amino-acid synthesis 5-like 2 gcnl2 0.0175 0.1544 0.4232
Plasmodium vivax hypothetical protein, conserved 0.0043 0.016 0.52
Echinococcus granulosus nuclear receptor subfamily 1 group D 0.0075 0.0496 0.131
Echinococcus multilocularis nuclear receptor 2DBD gamma 0.0106 0.0819 0.0795
Loa Loa (eye worm) hypothetical protein 0.0043 0.016 0.0148
Toxoplasma gondii 3-oxo-5-alpha-steroid 4-dehydrogenase 0.0155 0.1337 1
Echinococcus granulosus hepatocyte nuclear factor 4 alpha 0.0106 0.0819 0.2211
Schistosoma mansoni thyroid hormone receptor 0.0106 0.0819 0.2211
Loa Loa (eye worm) hypothetical protein 0.0106 0.0819 0.0877
Loa Loa (eye worm) nucleolar RNA-associated protein alpha 0.0372 0.3612 0.3965
Brugia malayi Nuclear hormone receptor family member nhr-25 0.0106 0.0819 0.0877
Trypanosoma cruzi hypothetical protein, conserved 0.0043 0.016 0.1199
Loa Loa (eye worm) nuclear hormone receptor-like 1 0.0075 0.0496 0.0519
Brugia malayi Nuclear hormone receptor-like 1 0.0106 0.0819 0.0877
Toxoplasma gondii histone lysine acetyltransferase GCN5-A 0.0051 0.0244 0.1381
Toxoplasma gondii ABC1 family protein 0.0043 0.016 0.0718
Loa Loa (eye worm) beta-LACTamase domain containing family member 0.0043 0.016 0.0148
Schistosoma mansoni family S12 unassigned peptidase (S12 family) 0.0043 0.016 0.0374
Schistosoma mansoni RAR-like nuclear receptor 0.0106 0.0819 0.2211
Trichomonas vaginalis D-aminoacylase, putative 0.0043 0.016 0.1199
Echinococcus granulosus ubiquitin specific protease 41 0.0045 0.0173 0.0408
Echinococcus granulosus ecdysone induced protein 78C 0.0106 0.0819 0.2211
Schistosoma mansoni retinoic acid receptor RXR 0.0106 0.0819 0.2211
Brugia malayi Ubiquitin carboxyl-terminal hydrolase family protein 0.0045 0.0173 0.0162
Schistosoma mansoni ecdysone-induced protein 78c (dr-78) 0.0075 0.0496 0.131
Leishmania major 3-oxo-5-alpha-steroid 4-dehydrogenase-like protein 0.0155 0.1337 1
Loa Loa (eye worm) hypothetical protein 0.0045 0.0173 0.0162
Giardia lamblia Histone acetyltransferase GCN5 0.0047 0.0199 1
Echinococcus granulosus FTZ F1 alpha 0.0106 0.0819 0.2211
Brugia malayi nuclear receptor RXR 0.0075 0.0496 0.0519
Trichomonas vaginalis cat eye syndrome critical region protein 2, cscr2, putative 0.0051 0.0244 0.1827
Onchocerca volvulus 0.0043 0.016 0.0148
Trypanosoma cruzi ubiquitin carboxyl-terminal hydrolase, putative 0.0045 0.0173 0.1291
Entamoeba histolytica acetyltransferase, GNAT family 0.0047 0.0199 0.149
Onchocerca volvulus Bile acid receptor homolog 0.0891 0.9068 1
Schistosoma mansoni nuclear hormone receptor 0.0106 0.0819 0.2211
Trypanosoma cruzi 3-oxo-5-alpha-steroid 4-dehydrogenase, putative 0.0155 0.1337 1
Echinococcus multilocularis FTZ F1 alpha 0.0106 0.0819 0.0795
Brugia malayi Nuclear hormone receptor family member nhr-14 0.0106 0.0819 0.0877
Loa Loa (eye worm) nuclear hormone receptor family member nhr-49 0.0106 0.0819 0.0877
Echinococcus multilocularis nuclear receptor subfamily 1 group D 0.0075 0.0496 0.0471
Trichomonas vaginalis bromodomain-containing protein, putative 0.0051 0.0244 0.1827
Schistosoma mansoni retinoid-x-receptor (RXR) 0.0106 0.0819 0.2211
Brugia malayi Importin beta-1 subunit 0.0035 0.0069 0.0048
Echinococcus granulosus histone acetyltransferase KAT2B 0.0051 0.0244 0.0608
Plasmodium vivax histone acetyltransferase GCN5, putative 0.0051 0.0244 1
Echinococcus multilocularis importin subunit beta 1 0.0035 0.0069 0.0043
Trichomonas vaginalis D-aminoacylase, putative 0.0043 0.016 0.1199
Trichomonas vaginalis Clan CA, family C19, ubiquitin hydrolase-like cysteine peptidase 0.0045 0.0173 0.1291
Trypanosoma brucei ubiquitin carboxyl-terminal hydrolase, putative 0.0045 0.0173 0.0816
Echinococcus granulosus Peptidase C19 ubiquitin carboxyl terminal hydrolase 2 0.0045 0.0173 0.0408
Brugia malayi photoreceptor-specific nuclear receptor 0.0106 0.0819 0.0877
Echinococcus multilocularis COUP TF:Svp nuclear hormone receptor 0.0106 0.0819 0.0795
Brugia malayi Nuclear hormone receptor family member nhr-31 0.0106 0.0819 0.0877
Loa Loa (eye worm) hypothetical protein 0.0043 0.016 0.0148
Trichomonas vaginalis 3-oxo-5-alpha-steroid 4-dehydrogenase, putative 0.0155 0.1337 1
Loa Loa (eye worm) nuclear hormone receptor family member nhr-31 0.0106 0.0819 0.0877
Loa Loa (eye worm) hypothetical protein 0.0043 0.016 0.0148
Echinococcus granulosus COUP TF:Svp nuclear hormone receptor 0.0106 0.0819 0.2211
Plasmodium falciparum histone acetyltransferase GCN5 0.0047 0.0199 1
Loa Loa (eye worm) hypothetical protein 0.0106 0.0819 0.0877
Brugia malayi hypothetical protein 0.0075 0.0496 0.0519
Trichomonas vaginalis 3-oxo-5-alpha-steroid 4-dehydrogenase, putative 0.0155 0.1337 1
Loa Loa (eye worm) hypothetical protein 0.0106 0.0819 0.0877
Schistosoma mansoni ubiquitin-specific peptidase 2 (C19 family) 0.0045 0.0173 0.0408
Trichomonas vaginalis esterase, putative 0.0043 0.016 0.1199
Echinococcus granulosus histone acetyltransferase KAT2B 0.017 0.1492 0.4088
Echinococcus multilocularis ubiquitin specific protease 41 0.0045 0.0173 0.0147
Echinococcus multilocularis Nuclear hormone receptor family member nhr 41 0.0106 0.0819 0.0795
Loa Loa (eye worm) hypothetical protein 0.0106 0.0819 0.0877
Echinococcus multilocularis nuclear receptor 2DBD gamma 0.0106 0.0819 0.0795
Echinococcus multilocularis thyroid hormone receptor alpha 0.0106 0.0819 0.0795
Brugia malayi acetyltransferase, GNAT family protein 0.0175 0.1544 0.1678
Schistosoma mansoni nuclear receptor 2DBD-gamma 0.0106 0.0819 0.2211
Trichomonas vaginalis 3-oxo-5-alpha-steroid 4-dehydrogenase, putative 0.0155 0.1337 1
Schistosoma mansoni hypothetical protein 0.0372 0.3612 1
Brugia malayi ecdysteroid receptor 0.0891 0.9068 1
Onchocerca volvulus Steroid hormone receptor family member cnr14 homolog 0.0106 0.0819 0.0877
Brugia malayi beta-lactamase family protein 0.0043 0.016 0.0148
Loa Loa (eye worm) nuclear hormone receptor family member nhr-14 0.0106 0.0819 0.0877
Brugia malayi Ligand-binding domain of nuclear hormone receptor family protein 0.0106 0.0819 0.0877
Brugia malayi Hypothetical 52.5 kDa protein ZK945.1 in chromosome II, putative 0.0043 0.016 0.0148
Brugia malayi beta-lactamase family protein 0.0043 0.016 0.0148
Loa Loa (eye worm) steroid hormone receptor 0.0106 0.0819 0.0877
Brugia malayi Nuclear hormone receptor family member nhr-41 0.0106 0.0819 0.0877
Trypanosoma cruzi hypothetical protein, conserved 0.0043 0.016 0.1199
Trypanosoma brucei hypothetical protein, conserved 0.0043 0.016 0.0718
Loa Loa (eye worm) hypothetical protein 0.0075 0.0496 0.0519
Brugia malayi 3-oxo-5-alpha-steroid 4-dehydrogenase 1 0.0155 0.1337 0.145
Loa Loa (eye worm) hypothetical protein 0.0043 0.016 0.0148
Loa Loa (eye worm) hypothetical protein 0.0155 0.1337 0.145
Loa Loa (eye worm) nuclear hormone receptor family member nhr-1 0.0106 0.0819 0.0877
Brugia malayi Nuclear hormone receptor family member nhr-1 0.0106 0.0819 0.0877
Brugia malayi hypothetical protein 0.0075 0.0496 0.0519
Schistosoma mansoni ubiquitin-specific peptidase 8 (C19 family) 0.0045 0.0173 0.0408
Brugia malayi Nuclear hormone receptor family member nhr-25 0.0106 0.0819 0.0877
Loa Loa (eye worm) hypothetical protein 0.0075 0.0496 0.0519
Echinococcus multilocularis beta LACTamase domain containing family member 0.0043 0.016 0.0134
Onchocerca volvulus 0.0043 0.016 0.0148
Toxoplasma gondii histone lysine acetyltransferase GCN5-B 0.0051 0.0244 0.1381
Mycobacterium leprae conserved hypothetical protein 0.0043 0.016 0.5
Brugia malayi Nuclear hormone receptor family member nhr-40 0.0106 0.0819 0.0877
Echinococcus granulosus importin subunit beta 1 0.0035 0.0069 0.012
Brugia malayi nuclear receptor NHR-88 0.0106 0.0819 0.0877
Echinococcus multilocularis ecdysone induced protein 78C 0.0106 0.0819 0.0795
Leishmania major ubiquitin hydrolase, putative,cysteine peptidase, Clan CA, family C19, putative 0.0045 0.0173 0.1291
Echinococcus granulosus Nuclear hormone receptor family member nhr 41 0.0106 0.0819 0.2211
Leishmania major hypothetical protein, conserved 0.0043 0.016 0.1199
Schistosoma mansoni photoreceptor-specific nuclear receptor related 0.0106 0.0819 0.2211
Loa Loa (eye worm) hypothetical protein 0.0075 0.0496 0.0519
Brugia malayi Steroid receptor seven-up type 2 0.0106 0.0819 0.0877
Brugia malayi Nuclear hormone receptor-like 1 0.0075 0.0496 0.0519
Loa Loa (eye worm) hypothetical protein 0.0043 0.016 0.0148
Schistosoma mansoni FTZ-F1 nuclear receptor-like protein 0.0106 0.0819 0.2211
Loa Loa (eye worm) hypothetical protein 0.0035 0.0069 0.0048
Schistosoma mansoni coup transcription factor 0.0106 0.0819 0.2211
Loa Loa (eye worm) hypothetical protein 0.0106 0.0819 0.0877
Brugia malayi Ligand-binding domain of nuclear hormone receptor family protein 0.0106 0.0819 0.0877
Loa Loa (eye worm) hypothetical protein 0.0075 0.0496 0.0519
Onchocerca volvulus Protein ultraspiracle homolog 0.0106 0.0819 0.0877
Loa Loa (eye worm) nuclear hormone receptor family member nhr-40 0.0106 0.0819 0.0877
Brugia malayi Nuclear hormone receptor family member nhr-49 0.0106 0.0819 0.0877
Brugia malayi Nuclear hormone receptor family member nhr-19 0.0106 0.0819 0.0877
Loa Loa (eye worm) hypothetical protein 0.0075 0.0496 0.0519
Echinococcus multilocularis hepatocyte nuclear factor 4 alpha 0.0106 0.0819 0.0795
Echinococcus multilocularis gcn5proteinral control of amino acid synthesis 0.0175 0.1544 0.1521
Echinococcus multilocularis snurportin 1 0.0372 0.3612 0.3595
Echinococcus granulosus FTZ F1 nuclear receptor protein 0.0106 0.0819 0.2211
Echinococcus granulosus beta LACTamase domain containing family member 0.0043 0.016 0.0374
Echinococcus multilocularis ubiquitin carboxyl terminal hydrolase 8 0.0045 0.0173 0.0147
Loa Loa (eye worm) beta-lactamase 0.0043 0.016 0.0148
Schistosoma mansoni nuclear hormone receptor nor-1/nor-2 0.0106 0.0819 0.2211
Brugia malayi Nuclear hormone receptor family member nhr-19 0.0106 0.0819 0.0877
Mycobacterium tuberculosis Possible penicillin-binding protein 0.0278 0.2624 1
Echinococcus granulosus nuclear receptor 2DBD gamma 0.0106 0.0819 0.2211
Onchocerca volvulus 0.0043 0.016 0.0148

Activities

Activity type Activity value Assay description Source Reference
Potency (functional) 0.3981 uM PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of GCN5L2. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID504398] ChEMBL. No reference
Potency (functional) = 1.122 um PUBCHEM_BIOASSAY: qHTS Assay for Rab9 Promoter Activators. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 5.8048 uM PUBCHEM_BIOASSAY: qHTS screen for small molecules that inhibit ELG1-dependent DNA repair in human embryonic kidney (HEK293T) cells expressing luciferase-tagged ELG1. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID493107, AID493125] ChEMBL. No reference
Potency (functional) 6.5131 uM PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of RanGTP induced Rango (Ran-regulated importin-beta cargo) - Importin beta complex dissociation. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID540262] ChEMBL. No reference
Potency (functional) = 7.0795 um PUBCHEM_BIOASSAY: qHTS Inhibitors of AmpC Beta-Lactamase (assay with detergent). (Class of assay: confirmatory) [Related pubchem assays: 1002 (Confirmation Concentration-Response Assay for Inhibitors of AmpC Beta-Lactamase (assay with detergent)), 585 (Promiscuous and Specific Inhibitors of AmpC Beta-Lactamase (assay without detergent) - a screen old NIH MLSMR collection), 584 (Promiscuous and Specific Inhibitors of AmpC Beta-Lactamase (assay with detergent) - a screen of the old NIH MLSMR collection), 1003 (Confirmation Cuvette-Based Assay for Inhibitors of AmpC Beta-Lactamase (assay with detergent))] ChEMBL. No reference
Potency (functional) 9.285 uM PUBCHEM_BIOASSAY: Primary qHTS for delayed death inhibitors of the malarial parasite plastid, 48 hour incubation. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID488752, AID488774, AID504848, AID504850] ChEMBL. No reference
Potency (functional) = 12.5893 um PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of Ubiquitin-specific Protease USP2a. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 28.1838 uM PubChem BioAssay. qHTS of GLP-1 Receptor Inverse Agonists (Inhibition Mode). (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) = 35.4813 um PUBCHEM_BIOASSAY: qHTS Assay for Enhancers of SMN2 Splice Variant Expression. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 56.2341 uM PUBCHEM_BIOASSAY: qHTS assay for re-activators of p53 using a Luc reporter. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID504709] ChEMBL. No reference

Phenotypes

Whole-cell/tissue/organism interactions

Species name Source Reference Is orphan
Plasmodium falciparum ChEMBL23

Many chemical entities in TDR Targets come from high-throughput screenings with whole cells or tissue samples, and not all assayed compounds have been tested against a single a single target protein, probably because they get ruled out during screening process. Even if these compounds may have not been of interest in the original screening, they may come as interesting leads for other screening assays. Furthermore, we may be able to propose drug-target associations using chemical similarities and network patterns.

Annotated phenotypes:

We have no manually annotated phenotypes for this drug. What does this mean? / Care to help?
In TDR Targets, information about phenotypes that are caused by drugs, or by genetic manipulation of cells (e.g. gene knockouts or knockdowns) is manually curated from the literature. These descriptions help to describe the potential of the target for drug development. If no information is available for this gene or if the information is incomplete, this may mean that i) the papers containing this information either appeared after the curation effort for this organism was carried out or they were inadvertently missed by curators; or that ii) the curation effort for this organism has not yet started.
 
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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