Detailed information for compound 1233962

Basic information

Technical information
  • TDR Targets ID: 1233962
  • Name: 2-[(4-tert-butylbenzoyl)amino]-4-(4-methoxyph enyl)thiophene-3-carboxylic acid
  • MW: 409.498 | Formula: C23H23NO4S
  • H donors: 2 H acceptors: 3 LogP: 6.12 Rotable bonds: 7
    Rule of 5 violations (Lipinski): 1
  • SMILES: COc1ccc(cc1)c1csc(c1C(=O)O)NC(=O)c1ccc(cc1)C(C)(C)C
  • InChi: 1S/C23H23NO4S/c1-23(2,3)16-9-5-15(6-10-16)20(25)24-21-19(22(26)27)18(13-29-21)14-7-11-17(28-4)12-8-14/h5-13H,1-4H3,(H,24,25)(H,26,27)
  • InChiKey: ZZJMGALGEWSUIJ-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

  • 2-[[(4-tert-butylphenyl)-oxomethyl]amino]-4-(4-methoxyphenyl)-3-thiophenecarboxylic acid
  • 2-[(4-tert-butylbenzoyl)amino]-4-(4-methoxyphenyl)-3-thenoic acid
  • 2-[(4-tert-butylphenyl)carbonylamino]-4-(4-methoxyphenyl)thiophene-3-carboxylic acid
  • Oprea1_857772
  • 2-[(4-tert-butylbenzoyl)amino]-4-(4-methoxyphenyl)-3-thiophenecarboxylic acid
  • MLS001180913
  • SMR000475974
  • STOCK1S-68481

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Homo sapiens peptidylprolyl cis/trans isomerase, NIMA-interacting 1 Starlite/ChEMBL No references
Homo sapiens TAR DNA binding protein Starlite/ChEMBL No references
Homo sapiens glucagon-like peptide 1 receptor Starlite/ChEMBL No references
Homo sapiens nuclear factor, erythroid 2-like 2 Starlite/ChEMBL No references
Homo sapiens isocitrate dehydrogenase 1 (NADP+), soluble Starlite/ChEMBL No references
Homo sapiens ubiquitin specific peptidase 1 Starlite/ChEMBL No references
Streptococcus pyogenes serotype M1 Streptokinase A Starlite/ChEMBL No references

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Trypanosoma brucei peptidyl-prolyl cis-trans isomerase/rotamase, putative Get druggable targets OG5_128367 All targets in OG5_128367
Loa Loa (eye worm) RNA binding protein Get druggable targets OG5_132461 All targets in OG5_132461
Candida albicans N terminus of cytosolic NADP-specific isocitrate dehydrogenase. Get druggable targets OG5_127057 All targets in OG5_127057
Schistosoma mansoni tar DNA-binding protein Get druggable targets OG5_132461 All targets in OG5_132461
Loa Loa (eye worm) RNA recognition domain-containing protein domain-containing protein Get druggable targets OG5_132461 All targets in OG5_132461
Schistosoma mansoni tar DNA-binding protein Get druggable targets OG5_132461 All targets in OG5_132461
Leishmania donovani transcription factor btf3, putative Get druggable targets OG5_127333 All targets in OG5_127333
Candida albicans Mitochondrial NADP-specific isocitrate dehydrogenase Get druggable targets OG5_127057 All targets in OG5_127057
Trypanosoma brucei gambiense peptidyl-prolyl cis-trans isomerase/rotamase, putative,PPIase, putative Get druggable targets OG5_128367 All targets in OG5_128367
Echinococcus granulosus tar DNA binding protein Get druggable targets OG5_132461 All targets in OG5_132461
Echinococcus multilocularis isocitrate dehydrogenase 2 (NADP+) Get druggable targets OG5_127057 All targets in OG5_127057
Entamoeba histolytica peptidyl-prolyl cis-trans isomerase, putative Get druggable targets OG5_128367 All targets in OG5_128367
Candida albicans C terminus of cytosolic NADP-specific isocitrate dehydrogenase. Get druggable targets OG5_127057 All targets in OG5_127057
Toxoplasma gondii NAC domain-containing protein Get druggable targets OG5_127333 All targets in OG5_127333
Echinococcus multilocularis isocitrate dehydrogenase Get druggable targets OG5_127057 All targets in OG5_127057
Trypanosoma brucei gambiense isocitrate dehydrogenase [NADP], mitochondrial precursor, putative Get druggable targets OG5_127057 All targets in OG5_127057
Babesia bovis NAC domain containing protein Get druggable targets OG5_127333 All targets in OG5_127333
Plasmodium yoelii isocitrate dehydrogenase, NADP-dependent Get druggable targets OG5_127057 All targets in OG5_127057
Neospora caninum peptidyl-prolyl cis-trans isomerase NIMA- interacting 1, putative Get druggable targets OG5_128367 All targets in OG5_128367
Echinococcus multilocularis NADP dependent isocitrate dehydrogenase Get druggable targets OG5_127057 All targets in OG5_127057
Schistosoma mansoni tar DNA-binding protein Get druggable targets OG5_132461 All targets in OG5_132461
Leishmania donovani isocitrate dehydrogenase [NADP], mitochondrial precursor, putative Get druggable targets OG5_127057 All targets in OG5_127057
Theileria parva isocitrate dehydrogenase (NADP+), putative Get druggable targets OG5_127057 All targets in OG5_127057
Brugia malayi Pin1-type peptidyl-prolyl cis-trans isomerase, BmPin1 Get druggable targets OG5_128367 All targets in OG5_128367
Leishmania mexicana basic transcription factor 3a, putative Get druggable targets OG5_127333 All targets in OG5_127333
Echinococcus granulosus expressed protein Get druggable targets OG5_128367 All targets in OG5_128367
Cryptosporidium parvum BTF domain, basal transcription factor Get druggable targets OG5_127333 All targets in OG5_127333
Trypanosoma brucei isocitrate dehydrogenase, putative Get druggable targets OG5_127057 All targets in OG5_127057
Echinococcus multilocularis expressed protein Get druggable targets OG5_128367 All targets in OG5_128367
Trypanosoma brucei gambiense isocitrate dehydrogenase, putative Get druggable targets OG5_127057 All targets in OG5_127057
Trichomonas vaginalis conserved hypothetical protein Get druggable targets OG5_127333 All targets in OG5_127333
Plasmodium berghei isocitrate dehydrogenase [NADP], mitochondrial, putative Get druggable targets OG5_127057 All targets in OG5_127057
Trichomonas vaginalis conserved hypothetical protein Get druggable targets OG5_127333 All targets in OG5_127333
Brugia malayi beta-NAC-like protein Get druggable targets OG5_127333 All targets in OG5_127333
Babesia bovis peptidyl-prolyl cis-trans isomerase, putative Get druggable targets OG5_128367 All targets in OG5_128367
Loa Loa (eye worm) ICD-1 protein Get druggable targets OG5_127333 All targets in OG5_127333
Theileria parva transcription factor BTF3, putative Get druggable targets OG5_127333 All targets in OG5_127333
Babesia bovis isocitrate dehydrogenase, NADP-dependent family protein Get druggable targets OG5_127057 All targets in OG5_127057
Trichomonas vaginalis conserved hypothetical protein Get druggable targets OG5_127333 All targets in OG5_127333
Leishmania infantum isocitrate dehydrogenase [NADP], mitochondrial precursor, putative Get druggable targets OG5_127057 All targets in OG5_127057
Theileria parva peptidyl-prolyl cis-trans isomerase, putative Get druggable targets OG5_128367 All targets in OG5_128367
Leishmania braziliensis basic transcription factor 3a, putative Get druggable targets OG5_127333 All targets in OG5_127333
Trypanosoma cruzi transcription factor btf3, putative Get druggable targets OG5_127333 All targets in OG5_127333
Toxoplasma gondii peptidylprolyl isomerase Get druggable targets OG5_128367 All targets in OG5_128367
Brugia malayi RNA binding protein Get druggable targets OG5_132461 All targets in OG5_132461
Candida albicans cytosolic NADP-specific isocitrate dehydrogenase. Get druggable targets OG5_127057 All targets in OG5_127057
Trypanosoma congolense peptidyl-prolyl cis-trans isomerase/rotamase, putative Get druggable targets OG5_128367 All targets in OG5_128367
Schistosoma mansoni rotamase Get druggable targets OG5_128367 All targets in OG5_128367
Neospora caninum Isocitrate dehydrogenase-like protein, related Get druggable targets OG5_127057 All targets in OG5_127057
Leishmania infantum basic transcription factor 3a, putative Get druggable targets OG5_127333 All targets in OG5_127333
Leishmania braziliensis peptidyl-prolyl cis-trans isomerase/rotamase, putative,PPIase, putative Get druggable targets OG5_128367 All targets in OG5_128367
Mycobacterium tuberculosis Probable isocitrate dehydrogenase [NADP] Icd1 (oxalosuccinate decarboxylase) (IDH) (NADP+-specific ICDH) (IDP) Get druggable targets OG5_127057 All targets in OG5_127057
Trypanosoma congolense isocitrate dehydrogenase, putative Get druggable targets OG5_127057 All targets in OG5_127057
Toxoplasma gondii isocitrate dehydrogenase Get druggable targets OG5_127057 All targets in OG5_127057
Cryptosporidium hominis NAC domain protein Get druggable targets OG5_127333 All targets in OG5_127333
Brugia malayi isocitrate dehydrogenase Get druggable targets OG5_127057 All targets in OG5_127057
Leishmania donovani peptidyl-prolyl cis-trans isomerase/rotamase, putative Get druggable targets OG5_128367 All targets in OG5_128367
Leishmania major peptidyl-prolyl cis-trans isomerase/rotamase, putative,PPIase, putative Get druggable targets OG5_128367 All targets in OG5_128367
Schistosoma mansoni tar DNA-binding protein Get druggable targets OG5_132461 All targets in OG5_132461
Schistosoma mansoni tar DNA-binding protein Get druggable targets OG5_132461 All targets in OG5_132461
Plasmodium falciparum isocitrate dehydrogenase [NADP], mitochondrial Get druggable targets OG5_127057 All targets in OG5_127057
Trypanosoma brucei gambiense nascent polypeptide associated complex alpha subunit, putative Get druggable targets OG5_127333 All targets in OG5_127333
Echinococcus multilocularis NADP dependent isocitrate dehydrogenase Get druggable targets OG5_127057 All targets in OG5_127057
Toxoplasma gondii isocitrate dehydrogenase Get druggable targets OG5_127057 All targets in OG5_127057
Trypanosoma cruzi transcription factor btf3, putative Get druggable targets OG5_127333 All targets in OG5_127333
Loa Loa (eye worm) isocitrate dehydrogenase Get druggable targets OG5_127057 All targets in OG5_127057
Schistosoma mansoni NADP-specific isocitrate dehydrogenase Get druggable targets OG5_127057 All targets in OG5_127057
Candida albicans peptidylprolyl cis/trans isomerase isolated by functional complementation of S. cerevisiae ESS1 (YJR017C) which interacts with t Get druggable targets OG5_128367 All targets in OG5_128367
Echinococcus granulosus NADP dependent isocitrate dehydrogenase Get druggable targets OG5_127057 All targets in OG5_127057
Trypanosoma brucei transcription factor BTF3, putative Get druggable targets OG5_127333 All targets in OG5_127333
Plasmodium berghei transcription factor 3b, putative Get druggable targets OG5_127333 All targets in OG5_127333
Trichomonas vaginalis rotamase, putative Get druggable targets OG5_128367 All targets in OG5_128367
Trypanosoma cruzi isocitrate dehydrogenase [NADP], mitochondrial precursor, putative Get druggable targets OG5_127057 All targets in OG5_127057
Loa Loa (eye worm) TAR-binding protein Get druggable targets OG5_132461 All targets in OG5_132461
Leishmania major isocitrate dehydrogenase [NADP], mitochondrial precursor, putative Get druggable targets OG5_127057 All targets in OG5_127057
Leishmania mexicana isocitrate dehydrogenase [NADP], mitochondrial precursor, putative Get druggable targets OG5_127057 All targets in OG5_127057
Trypanosoma cruzi isocitrate dehydrogenase, putative Get druggable targets OG5_127057 All targets in OG5_127057
Schistosoma japonicum ko:K00031 isocitrate dehydrogenase [EC1.1.1.42], putative Get druggable targets OG5_127057 All targets in OG5_127057
Neospora caninum hypothetical protein Get druggable targets OG5_127057 All targets in OG5_127057
Entamoeba histolytica transcription factor BTF3, putative Get druggable targets OG5_127333 All targets in OG5_127333
Candida albicans similar to S. cerevisiae GAL4 enhancer protein EGD1 (YPL037C) subunit alpha of the nascent polypeptide-associated chaperone comp Get druggable targets OG5_127333 All targets in OG5_127333
Echinococcus multilocularis transcription factor btf3 Get druggable targets OG5_127333 All targets in OG5_127333
Trichomonas vaginalis conserved hypothetical protein Get druggable targets OG5_128367 All targets in OG5_128367
Schistosoma japonicum TAR DNA-binding protein 43, putative Get druggable targets OG5_132461 All targets in OG5_132461
Schistosoma japonicum ko:K01527 nascent polypeptide-associated complex subunit beta, putative Get druggable targets OG5_127333 All targets in OG5_127333
Brugia malayi TAR-binding protein Get druggable targets OG5_132461 All targets in OG5_132461
Candida albicans similar to S. cerevisiae GAL4 enhancer protein EGD1 (YPL037C) subunit alpha of the nascent polypeptide-associated chaperone comp Get druggable targets OG5_127333 All targets in OG5_127333
Schistosoma japonicum ko:K09578 peptidyl-prolyl cis-trans isomerase NIMA-interacting 1, putative Get druggable targets OG5_128367 All targets in OG5_128367
Neospora caninum hypothetical protein Get druggable targets OG5_127333 All targets in OG5_127333
Brugia malayi Isocitrate dehydrogenase Get druggable targets OG5_127057 All targets in OG5_127057
Trypanosoma congolense isocitrate dehydrogenase, putative Get druggable targets OG5_127057 All targets in OG5_127057
Plasmodium yoelii basic transcription factor 3, putative Get druggable targets OG5_127333 All targets in OG5_127333
Leishmania braziliensis isocitrate dehydrogenase [NADP], mitochondrial precursor, putative Get druggable targets OG5_127057 All targets in OG5_127057
Schistosoma japonicum TAR DNA-binding protein 43, putative Get druggable targets OG5_132461 All targets in OG5_132461
Echinococcus granulosus transcription factor btf3 Get druggable targets OG5_127333 All targets in OG5_127333
Schistosoma mansoni transcription factor btf3 Get druggable targets OG5_127333 All targets in OG5_127333
Trypanosoma cruzi peptidyl-prolyl cis-trans isomerase Get druggable targets OG5_128367 All targets in OG5_128367
Echinococcus multilocularis NADP dependent isocitrate dehydrogenase Get druggable targets OG5_127057 All targets in OG5_127057
Plasmodium yoelii isocitrate dehydrogenase, NADP-dependent, putative Get druggable targets OG5_127057 All targets in OG5_127057
Candida albicans Mitochondrial NADP-specific isocitrate dehydrogenase Get druggable targets OG5_127057 All targets in OG5_127057
Plasmodium vivax isocitrate dehydrogenase [NADP], mitochondrial, putative Get druggable targets OG5_127057 All targets in OG5_127057
Trypanosoma cruzi peptidyl-prolyl cis-trans isomerase Get druggable targets OG5_128367 All targets in OG5_128367
Trichomonas vaginalis rotamase, putative Get druggable targets OG5_128367 All targets in OG5_128367
Entamoeba histolytica hypothetical protein Get druggable targets OG5_127333 All targets in OG5_127333
Trypanosoma brucei isocitrate dehydrogenase [NADP], mitochondrial precursor, putative Get druggable targets OG5_127057 All targets in OG5_127057
Echinococcus multilocularis tar DNA binding protein Get druggable targets OG5_132461 All targets in OG5_132461
Plasmodium falciparum basic transcription factor 3b, putative Get druggable targets OG5_127333 All targets in OG5_127333
Loa Loa (eye worm) Pin1-type peptidyl-prolyl cis-trans isomerase Get druggable targets OG5_128367 All targets in OG5_128367
Leishmania major basic transcription factor 3a, putative Get druggable targets OG5_127333 All targets in OG5_127333
Plasmodium knowlesi basic transcription factor 3b, putative Get druggable targets OG5_127333 All targets in OG5_127333
Leishmania mexicana peptidyl-prolyl cis-trans isomerase/rotamase, putative,PPIase, putative Get druggable targets OG5_128367 All targets in OG5_128367
Brugia malayi RNA recognition motif domain containing protein Get druggable targets OG5_132461 All targets in OG5_132461
Candida albicans peptidylprolyl cis/trans isomerase isolated by functional complementation of S. cerevisiae ESS1 (YJR017C) which interacts with t Get druggable targets OG5_128367 All targets in OG5_128367
Leishmania infantum peptidyl-prolyl cis-trans isomerase/rotamase, putative,PPIase, putative Get druggable targets OG5_128367 All targets in OG5_128367
Plasmodium knowlesi isocitrate dehydrogenase [NADP], mitochondrial, putative Get druggable targets OG5_127057 All targets in OG5_127057
Plasmodium vivax basic transcription factor 3b, putative Get druggable targets OG5_127333 All targets in OG5_127333
By sequence similarity to non orthologous known druggable targets
Species Potential target Known druggable target Length Alignment span Identity
Leishmania major peptidyl-prolyl cis-trans isomerase, putative peptidylprolyl cis/trans isomerase, NIMA-interacting 1 163 aa 133 aa 27.8 %
Loa Loa (eye worm) pigment dispersing factor receptor c glucagon-like peptide 1 receptor 463 aa 388 aa 25.8 %
Obtained from network model

Ranking Plot

Putative Targets List

Species Potential target Raw Global Species
Brugia malayi RNA recognition motif domain containing protein 0.0076 0.2831 1
Brugia malayi Protein kinase domain containing protein 0.0033 0.0948 0.335
Trichomonas vaginalis AGC family protein kinase 0.0012 0.0086 0.0612
Brugia malayi MBOAT family protein 0.0043 0.141 0.4982
Echinococcus granulosus serine/threonine protein kinase 0.0022 0.0509 0.0509
Entamoeba histolytica vacuolar protein sorting 26 0.0043 0.141 0.9977
Trichomonas vaginalis conserved hypothetical protein 0.0042 0.1361 0.9651
Trichomonas vaginalis AGC family protein kinase 0.0033 0.0948 0.6724
Trypanosoma cruzi glycerol uptake protein, putative 0.0043 0.141 1
Trypanosoma cruzi transcription factor btf3, putative 0.0042 0.1361 0.9631
Trichomonas vaginalis rotamase, putative 0.0039 0.1239 0.8788
Entamoeba histolytica hypothetical protein 0.0043 0.1414 1
Schistosoma mansoni membrane-bound acyltransferase/hhat 0.0043 0.141 0.141
Echinococcus multilocularis Glutaredoxin protein 5 0.002 0.0413 0.0413
Schistosoma mansoni hypothetical protein 0.0041 0.1315 0.1315
Schistosoma mansoni hypothetical protein 0.0019 0.0367 0.0367
Echinococcus multilocularis cadherin EGF LAG seven pass G type receptor 0.0019 0.0367 0.0367
Toxoplasma gondii acyl-CoA:diacylglycerol acyltransferase 1-related enzyme 0.0043 0.141 1
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.006 0.2132 0.7532
Toxoplasma gondii acyl-CoA:cholesterol acyltransferase alpha ACAT1-alpha 0.0043 0.141 1
Leishmania major glycerol uptake protein, putative 0.0043 0.141 1
Echinococcus multilocularis Membrane bound O acyl transferase, MBOAT 0.0043 0.141 0.141
Entamoeba histolytica protein kinase 2, putative 0.002 0.0422 0.2987
Trichomonas vaginalis AGC family protein kinase 0.0033 0.0948 0.6724
Echinococcus granulosus nervana 2 0.002 0.0413 0.0413
Leishmania major hypothetical protein, conserved 0.0043 0.141 1
Trypanosoma brucei isocitrate dehydrogenase [NADP], mitochondrial precursor, putative 0.0019 0.0369 0.2191
Trichomonas vaginalis AGC family protein kinase 0.0033 0.0948 0.6724
Echinococcus granulosus Glutaredoxin protein 5 0.002 0.0413 0.0413
Schistosoma mansoni diacylglycerol O-acyltransferase 1 0.0043 0.141 0.141
Schistosoma mansoni tar DNA-binding protein 0.0076 0.2831 0.2831
Trichomonas vaginalis conserved hypothetical protein 0.0042 0.1361 0.9651
Echinococcus granulosus lysophospholipid acyltransferase 7 0.0043 0.141 0.141
Echinococcus multilocularis nervana 2 0.002 0.0413 0.0413
Loa Loa (eye worm) hypothetical protein 0.0041 0.1315 0.1315
Trichomonas vaginalis conserved hypothetical protein 0.0043 0.141 1
Trypanosoma brucei glycerol uptake protein, putative 0.0043 0.141 1
Brugia malayi MBOAT family protein 0.0043 0.141 0.4982
Echinococcus granulosus tar DNA binding protein 0.0076 0.2831 0.2831
Trypanosoma cruzi peptidyl-prolyl cis-trans isomerase 0.0039 0.1239 0.8719
Echinococcus granulosus protein cysteine N palmitoyltransferase 0.0043 0.141 0.141
Echinococcus multilocularis o acyltransferase (membrane bound) domain 0.0043 0.141 0.141
Treponema pallidum alginate O-acetylation protein (algI) 0.0043 0.141 0.5
Brugia malayi beta-NAC-like protein 0.0042 0.1361 0.4808
Entamoeba histolytica hypothetical protein 0.0043 0.141 0.9977
Entamoeba histolytica PH domain containing protein kinase, putative 0.0022 0.0509 0.3598
Trypanosoma cruzi glycerol uptake protein, putative 0.0043 0.141 1
Echinococcus multilocularis o acyltransferase (membrane bound) domain 0.0043 0.141 0.141
Loa Loa (eye worm) hypothetical protein 0.02 0.814 0.814
Schistosoma mansoni hypothetical protein 0.0019 0.0367 0.0367
Echinococcus multilocularis rac serine:threonine kinase 0.0022 0.0509 0.0509
Entamoeba histolytica protein kinase, putative 0.0031 0.0862 0.6098
Toxoplasma gondii isocitrate dehydrogenase 0.0019 0.0369 0.2191
Loa Loa (eye worm) TAR-binding protein 0.0076 0.2831 0.2831
Echinococcus multilocularis isocitrate dehydrogenase 2 (NADP+) 0.0019 0.0369 0.0369
Trypanosoma cruzi isocitrate dehydrogenase [NADP], mitochondrial precursor, putative 0.0019 0.0369 0.2191
Loa Loa (eye worm) membrane bound O-acyltransferase domain containing 1 0.0043 0.141 0.141
Echinococcus granulosus Basic leucine zipper bZIP transcription 0.0043 0.1414 0.1414
Schistosoma mansoni rotamase 0.004 0.128 0.128
Schistosoma mansoni zinc finger protein 0.0043 0.141 0.141
Schistosoma mansoni hypothetical protein 0.0043 0.141 0.141
Giardia lamblia Kinase, AGC PKA 0.002 0.0422 0.5
Loa Loa (eye worm) hhat protein 0.0043 0.141 0.141
Schistosoma mansoni tar DNA-binding protein 0.0076 0.2831 0.2831
Brugia malayi calcium-independent alpha-latrotoxin receptor 2, putative 0.0019 0.0367 0.1298
Loa Loa (eye worm) AGC/RSK/P70 protein kinase 0.0031 0.0862 0.0862
Echinococcus granulosus o acyltransferase membrane bound domain 0.0043 0.141 0.141
Echinococcus granulosus calcium:calmodulin dependent protein kinase 0.002 0.0422 0.0422
Brugia malayi Hhat protein 0.0043 0.141 0.4982
Toxoplasma gondii peptidylprolyl isomerase 0.0039 0.1239 0.8719
Echinococcus multilocularis diacylglycerol O acyltransferase 1 0.0043 0.141 0.141
Entamoeba histolytica hypothetical protein, conserved 0.0043 0.141 0.9977
Trypanosoma brucei rac serine-threonine kinase, putative 0.0033 0.0948 0.6536
Loa Loa (eye worm) hypothetical protein 0.0043 0.141 0.141
Loa Loa (eye worm) MBOAT family protein 0.0043 0.141 0.141
Trichomonas vaginalis conserved hypothetical protein 0.0043 0.141 1
Plasmodium vivax rac-beta serine/threonine protein kinase, putative 0.002 0.0422 0.0514
Trypanosoma cruzi isocitrate dehydrogenase, putative 0.0019 0.0369 0.2191
Trypanosoma brucei peptidyl-prolyl cis-trans isomerase/rotamase, putative 0.0039 0.1239 0.8719
Schistosoma mansoni transcription factor LCR-F1 0.0043 0.1414 0.1414
Loa Loa (eye worm) diacylglycerol acyltransferase 0.0043 0.141 0.141
Brugia malayi MBOAT family protein 0.0043 0.141 0.4982
Brugia malayi Pin1-type peptidyl-prolyl cis-trans isomerase, BmPin1 0.004 0.128 0.4522
Leishmania major glycerol uptake protein, putative 0.0043 0.141 1
Trypanosoma cruzi Protein kinase B 0.0022 0.0509 0.3239
Entamoeba histolytica hypothetical protein 0.0043 0.1414 1
Schistosoma mansoni transcription factor btf3 0.0042 0.1361 0.1361
Echinococcus granulosus diacylglycerol O acyltransferase 1 0.0043 0.141 0.141
Loa Loa (eye worm) Pin1-type peptidyl-prolyl cis-trans isomerase 0.004 0.128 0.128
Trypanosoma cruzi glycerol uptake protein, putative 0.0043 0.141 1
Brugia malayi Latrophilin receptor protein 2 0.0019 0.0367 0.1298
Echinococcus granulosus o acyltransferase membrane bound domain 0.0043 0.141 0.141
Brugia malayi MBOAT family protein 0.0043 0.141 0.4982
Entamoeba histolytica membrane-bound O-acyltransferase (MBOAT ) family protein 0.0043 0.141 0.9977
Schistosoma mansoni o-acyltransferase (membrane bound) domain containing protein 0.0043 0.141 0.141
Echinococcus multilocularis o acyltransferase (membrane bound) domain 0.0043 0.141 0.141
Toxoplasma gondii isocitrate dehydrogenase 0.0019 0.0369 0.2191
Entamoeba histolytica protein kinase, putative 0.0033 0.0948 0.6708
Loa Loa (eye worm) hypothetical protein 0.0043 0.141 0.141
Toxoplasma gondii NAC domain-containing protein 0.0042 0.1361 0.9631
Loa Loa (eye worm) AGC/AKT protein kinase 0.0033 0.0948 0.0948
Echinococcus granulosus GPCR family 2 0.0019 0.0367 0.0367
Schistosoma mansoni tar DNA-binding protein 0.0076 0.2831 0.2831
Schistosoma mansoni o-acyltransferase (membrane bound) domain containing protein 0.0043 0.141 0.141
Trichomonas vaginalis conserved hypothetical protein 0.0042 0.1361 0.9651
Loa Loa (eye worm) hypothetical protein 0.0244 1 1
Echinococcus granulosus sodium:potassium dependent atpase beta subunit 0.002 0.0413 0.0413
Trichomonas vaginalis rotamase, putative 0.004 0.128 0.9077
Trichomonas vaginalis AGC family protein kinase 0.0033 0.0948 0.6724
Echinococcus multilocularis membrane bound acyltransferase:hhat 0.0043 0.141 0.141
Leishmania major basic transcription factor 3a, putative 0.0042 0.1361 0.9631
Echinococcus multilocularis sterol O acyltransferase 1 0.0244 1 1
Toxoplasma gondii hypothetical protein 0.0043 0.141 1
Leishmania major isocitrate dehydrogenase [NADP], mitochondrial precursor, putative 0.0019 0.0369 0.2191
Echinococcus granulosus membrane bound acyltransferase:hhat 0.0043 0.141 0.141
Brugia malayi hypothetical protein 0.0043 0.1414 0.4994
Loa Loa (eye worm) RNA recognition domain-containing protein domain-containing protein 0.0076 0.2831 0.2831
Schistosoma mansoni tar DNA-binding protein 0.0076 0.2831 0.2831
Trichomonas vaginalis conserved hypothetical protein 0.004 0.128 0.9077
Echinococcus granulosus NADP dependent isocitrate dehydrogenase 0.0019 0.0369 0.0369
Trypanosoma cruzi GUP1, putative 0.0043 0.141 1
Entamoeba histolytica hypothetical protein 0.0043 0.1414 1
Plasmodium falciparum RAC-beta serine/threonine protein kinase 0.002 0.0422 0.0514
Echinococcus multilocularis NADP dependent isocitrate dehydrogenase 0.0019 0.0369 0.0369
Echinococcus granulosus expressed protein 0.004 0.128 0.128
Echinococcus granulosus diuretic hormone 44 receptor GPRdih2 0.0019 0.0367 0.0367
Trichomonas vaginalis AGC family protein kinase 0.0033 0.0948 0.6724
Echinococcus multilocularis Basic leucine zipper (bZIP) transcription 0.0043 0.1414 0.1414
Entamoeba histolytica transcription factor BTF3, putative 0.0042 0.1361 0.9628
Loa Loa (eye worm) pigment dispersing factor receptor c 0.006 0.2132 0.2132
Trichomonas vaginalis AGC family protein kinase 0.0033 0.0948 0.6724
Echinococcus multilocularis lysophospholipid acyltransferase 7 0.0043 0.141 0.141
Echinococcus multilocularis sodium:potassium dependent atpase beta subunit 0.002 0.0413 0.0413
Brugia malayi isocitrate dehydrogenase 0.0019 0.0369 0.1303
Brugia malayi Isocitrate dehydrogenase 0.0019 0.0369 0.1303
Echinococcus multilocularis NADP dependent isocitrate dehydrogenase 0.0019 0.0369 0.0369
Entamoeba histolytica hypothetical protein 0.0043 0.1414 1
Brugia malayi p70 ribosomal S6 kinase beta 0.0031 0.0862 0.3045
Loa Loa (eye worm) hypothetical protein 0.0019 0.0367 0.0367
Loa Loa (eye worm) RNA binding protein 0.0076 0.2831 0.2831
Trypanosoma cruzi transcription factor btf3, putative 0.0042 0.1361 0.9631
Echinococcus multilocularis diuretic hormone 44 receptor GPRdih2 0.0019 0.0367 0.0367
Echinococcus granulosus Membrane bound O acyl transferase MBOAT 0.0043 0.141 0.141
Echinococcus granulosus o acyltransferase membrane bound domain 0.0043 0.141 0.141
Onchocerca volvulus 0.0043 0.141 0.5
Loa Loa (eye worm) isocitrate dehydrogenase 0.0019 0.0369 0.0369
Loa Loa (eye worm) ICD-1 protein 0.0042 0.1361 0.1361
Entamoeba histolytica membrane-bound O-acyltransferase (MBOAT ) family protein 0.0043 0.141 0.9977
Schistosoma mansoni sterol O-acyltransferase 1 0.0244 1 1
Trypanosoma cruzi GUP1, putative 0.0043 0.141 1
Entamoeba histolytica protein kinase, putative 0.0033 0.0948 0.6708
Trypanosoma cruzi rac serine-threonine kinase, putative 0.002 0.0422 0.2592
Entamoeba histolytica membrane-bound O-acyltransferase (MBOAT ) family protein 0.0043 0.141 0.9977
Entamoeba histolytica peptidyl-prolyl cis-trans isomerase, putative 0.0039 0.1239 0.8768
Wolbachia endosymbiont of Brugia malayi parvulin-like peptidyl-prolyl isomerase, PPID 0.0012 0.0076 0.5
Loa Loa (eye worm) hypothetical protein 0.006 0.2132 0.2132
Trichomonas vaginalis AGC family protein kinase 0.0033 0.0948 0.6724
Plasmodium vivax basic transcription factor 3b, putative 0.0042 0.1361 0.9527
Echinococcus multilocularis GPCR, family 2 0.0019 0.0367 0.0367
Plasmodium falciparum diacylglycerol O-acyltransferase 0.0043 0.141 1
Echinococcus granulosus nervana 2 0.002 0.0413 0.0413
Trypanosoma cruzi peptidyl-prolyl cis-trans isomerase 0.0039 0.1239 0.8719
Toxoplasma gondii AGC kinase 0.0031 0.0862 0.5889
Schistosoma mansoni serine/threonine-protein kinase 0.0022 0.0509 0.0509
Trypanosoma brucei isocitrate dehydrogenase, putative 0.0019 0.0369 0.2191
Brugia malayi Calcitonin receptor-like protein seb-1 0.006 0.2132 0.7532
Loa Loa (eye worm) hypothetical protein 0.0043 0.141 0.141
Leishmania major glycerol uptake protein, putative 0.0043 0.141 1
Schistosoma mansoni hypothetical protein 0.0019 0.0367 0.0367
Entamoeba histolytica hypothetical protein 0.0042 0.1361 0.9628
Brugia malayi MBOAT family protein 0.0043 0.141 0.4982
Leishmania major glycerol uptake protein, putative 0.0043 0.141 1
Echinococcus multilocularis transcription factor btf3 0.0042 0.1361 0.1361
Trichomonas vaginalis transmembrane protein nessy, putative 0.0043 0.141 1
Plasmodium falciparum basic transcription factor 3b, putative 0.0042 0.1361 0.9527
Trypanosoma brucei glycerol uptake protein, putative 0.0043 0.141 1
Schistosoma mansoni leukocyte receptor cluster (lrc) member 4 protein 0.0043 0.141 0.141
Entamoeba histolytica PH domain containing protein kinase, putative 0.0022 0.0509 0.3598
Echinococcus multilocularis expressed protein 0.004 0.128 0.128
Schistosoma mansoni hypothetical protein 0.0019 0.0367 0.0367
Loa Loa (eye worm) MBOAT family protein 0.0043 0.141 0.141
Trichomonas vaginalis conserved hypothetical protein 0.0043 0.141 1
Brugia malayi RNA binding protein 0.0076 0.2831 1
Echinococcus multilocularis tar DNA binding protein 0.0076 0.2831 0.2831
Echinococcus multilocularis isocitrate dehydrogenase 0.0019 0.0369 0.0369
Trichomonas vaginalis porcupine, putative 0.0043 0.141 1
Echinococcus multilocularis NADP dependent isocitrate dehydrogenase 0.0019 0.0369 0.0369
Echinococcus granulosus serine threonine protein kinase nrc 0.002 0.0422 0.0422
Brugia malayi TAR-binding protein 0.0076 0.2831 1
Echinococcus granulosus cadherin EGF LAG seven pass G type receptor 0.0019 0.0367 0.0367
Echinococcus multilocularis serine threonine protein kinase nrc serine threonine protein kinase gad 0.002 0.0422 0.0422
Trypanosoma brucei transcription factor BTF3, putative 0.0042 0.1361 0.9631
Leishmania major glycerol uptake protein, putative 0.0043 0.141 1
Echinococcus multilocularis protein cysteine N palmitoyltransferase 0.0043 0.141 0.141
Schistosoma mansoni tar DNA-binding protein 0.0076 0.2831 0.2831
Echinococcus granulosus transcription factor btf3 0.0042 0.1361 0.1361
Loa Loa (eye worm) MBOAT family protein 0.0043 0.141 0.141
Brugia malayi latrophilin 2 splice variant baaae 0.0041 0.1315 0.4646
Mycobacterium tuberculosis Probable isocitrate dehydrogenase [NADP] Icd1 (oxalosuccinate decarboxylase) (IDH) (NADP+-specific ICDH) (IDP) 0.0019 0.0369 0.5
Trypanosoma cruzi rac serine-threonine kinase, putative 0.0022 0.0509 0.3239
Echinococcus multilocularis nervana 2 0.002 0.0413 0.0413
Brugia malayi diacylglycerol acyltransferase 0.0043 0.141 0.4982
Leishmania major peptidyl-prolyl cis-trans isomerase/rotamase, putative,PPIase, putative 0.0039 0.1239 0.8719
Loa Loa (eye worm) hhat protein 0.0043 0.141 0.141
Schistosoma mansoni hypothetical protein 0.0043 0.1414 0.1414
Schistosoma mansoni NADP-specific isocitrate dehydrogenase 0.0019 0.0369 0.0369
Plasmodium vivax diacylglycerol O-acyltransferase, putative 0.0043 0.141 1
Schistosoma mansoni serine/threonine-protein kinase 0.0022 0.0509 0.0509
Schistosoma mansoni o-acyltransferase (membrane bound) domain containing protein 0.0043 0.141 0.141
Loa Loa (eye worm) latrophilin receptor protein 2 0.0019 0.0367 0.0367

Activities

Activity type Activity value Assay description Source Reference
EC50 (functional) = 1.207 um PUBCHEM_BIOASSAY: Luminescence Microorganism-Based Dose Confirmation HTS to Identify Inhibitors of Streptokinase Promotor Activity. (Class of assay: confirmatory) [Related pubchem assays: 1677 (Project Summary), 1662 (Primary HTS)] ChEMBL. No reference
EC50 (functional) = 3.115 um PUBCHEM_BIOASSAY: Absorbance Microorganism-Based Dose Response HTS to Identify Inhibitors of Streptokinase Expression. (Class of assay: confirmatory) [Related pubchem assays: 1677 (Project Summary), 1902 (Retest at Dose), 1900 (Counter Screen), 1662 (Primary HTS)] ChEMBL. No reference
Potency (functional) 1 uM PubChem BioAssay. qHTS of TDP-43 Inhibitors. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 2.9093 uM PUBCHEM_BIOASSAY: Nrf2 qHTS screen for inhibitors. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID493153, AID493163, AID504648] ChEMBL. No reference
Potency (functional) 6.3096 uM PubChem BioAssay. Inhibitors of USP1/UAF1: Primary Screen. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 10 uM PubChem BioAssay. qHTS of GLP-1 Receptor Inverse Agonists (Inhibition Mode). (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 11.5821 uM PubChem BioAssay. qHTS for induction of synthetic lethality in tumor cells producing 2HG: qHTS for the HT-1080-NT fibrosarcoma cell line. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 19.0115 uM PubChem BioAssay. qHTS Assay to Find Inhibitors of Pin1. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 23.7781 uM PubChem BioAssay. qHTS for Inhibitors of PLK1-PDB (polo-like kinase 1 - polo-box domain): Primary Screen. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 31.6228 uM PubChem BioAssay. qHTS for Antagonists of gsp, the Etiologic Mutation Responsible for Fibrous Dysplasia/McCune-Albright Syndrome: qHTS. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 35.4813 uM PUBCHEM_BIOASSAY: qHTS for Inhibitors of TGF-b. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID588856, AID588860] ChEMBL. No reference
Potency (functional) 35.4813 uM PUBCHEM_BIOASSAY: qHTS for Inhibitors of TGF-b: Cytotox Counterscreen. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID588855, AID588860] ChEMBL. No reference
Potency (functional) 70.7946 uM PubChem BioAssay. qHTS for Antagonist of cAMP-regulated guanine nucleotide exchange factor 3 (EPAC1): primary screen. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 89.1251 uM PUBCHEM_BIOASSAY: Inhibitors of the vitamin D receptor (VDR): qHTS. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID504855] ChEMBL. No reference
Potency (functional) 100 uM PUBCHEM_BIOASSAY: qHTS for Inhibitors of Polymerase Eta. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID588636] 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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