Detailed information for compound 1446266

Basic information

Technical information
  • TDR Targets ID: 1446266
  • Name: N-[(2-methoxyphenyl)methyl]-4-(3-methyl-1,2-o xazol-5-yl)benzenesulfonamide
  • MW: 358.412 | Formula: C18H18N2O4S
  • H donors: 1 H acceptors: 3 LogP: 2.86 Rotable bonds: 6
    Rule of 5 violations (Lipinski): 1
  • SMILES: COc1ccccc1CNS(=O)(=O)c1ccc(cc1)c1onc(c1)C
  • InChi: 1S/C18H18N2O4S/c1-13-11-18(24-20-13)14-7-9-16(10-8-14)25(21,22)19-12-15-5-3-4-6-17(15)23-2/h3-11,19H,12H2,1-2H3
  • InChiKey: FHAGQAYESZQONT-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

  • N-[(2-methoxyphenyl)methyl]-4-(3-methylisoxazol-5-yl)benzenesulfonamide
  • N-[(2-methoxyphenyl)methyl]-4-(3-methyl-5-isoxazolyl)benzenesulfonamide
  • N-(2-methoxybenzyl)-4-(3-methylisoxazol-5-yl)benzenesulfonamide

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Homo sapiens apolipoprotein B mRNA editing enzyme, catalytic polypeptide-like 3G Starlite/ChEMBL No references
Homo sapiens Niemann-Pick disease, type C1 Starlite/ChEMBL No references
Homo sapiens glucagon-like peptide 1 receptor Starlite/ChEMBL No references
Homo sapiens SMAD family member 2 Starlite/ChEMBL No references
Homo sapiens geminin, DNA replication inhibitor Starlite/ChEMBL No references
Homo sapiens TAR DNA binding protein Starlite/ChEMBL No references
Homo sapiens isocitrate dehydrogenase 1 (NADP+), soluble 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
Brugia malayi RNA binding protein Get druggable targets OG5_132461 All targets in OG5_132461
Schistosoma japonicum ko:K07003 Niemann Pick type C1, putative Get druggable targets OG5_128206 All targets in OG5_128206
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_128206 All targets in OG5_128206
Schistosoma mansoni tar DNA-binding protein Get druggable targets OG5_132461 All targets in OG5_132461
Schistosoma mansoni NADP-specific isocitrate dehydrogenase 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
Candida albicans N terminus of cytosolic NADP-specific isocitrate dehydrogenase. Get druggable targets OG5_127057 All targets in OG5_127057
Neospora caninum Isocitrate dehydrogenase-like protein, related Get druggable targets OG5_127057 All targets in OG5_127057
Echinococcus granulosus expressed conserved protein Get druggable targets OG5_128206 All targets in OG5_128206
Echinococcus multilocularis isocitrate dehydrogenase 2 (NADP+) Get druggable targets OG5_127057 All targets in OG5_127057
Candida albicans cytosolic NADP-specific isocitrate dehydrogenase. Get druggable targets OG5_127057 All targets in OG5_127057
Plasmodium berghei isocitrate dehydrogenase [NADP], mitochondrial, 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
Schistosoma mansoni tar DNA-binding protein Get druggable targets OG5_132461 All targets in OG5_132461
Echinococcus multilocularis NADP dependent isocitrate dehydrogenase Get druggable targets OG5_127057 All targets in OG5_127057
Echinococcus multilocularis NADP dependent isocitrate dehydrogenase Get druggable targets OG5_127057 All targets in OG5_127057
Loa Loa (eye worm) isocitrate dehydrogenase 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
Loa Loa (eye worm) transcription factor SMAD2 Get druggable targets OG5_131716 All targets in OG5_131716
Toxoplasma gondii isocitrate dehydrogenase Get druggable targets OG5_127057 All targets in OG5_127057
Schistosoma japonicum Niemann-Pick C1 protein precursor, putative Get druggable targets OG5_128206 All targets in OG5_128206
Loa Loa (eye worm) TAR-binding protein Get druggable targets OG5_132461 All targets in OG5_132461
Babesia bovis isocitrate dehydrogenase, NADP-dependent family protein 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
Entamoeba histolytica Niemann-Pick C1 protein, putative Get druggable targets OG5_128206 All targets in OG5_128206
Schistosoma japonicum ko:K00031 isocitrate dehydrogenase [EC1.1.1.42], 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
Loa Loa (eye worm) RNA binding protein Get druggable targets OG5_132461 All targets in OG5_132461
Trypanosoma congolense isocitrate dehydrogenase, 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
Echinococcus multilocularis expressed conserved protein Get druggable targets OG5_128206 All targets in OG5_128206
Leishmania donovani isocitrate dehydrogenase [NADP], mitochondrial precursor, putative Get druggable targets OG5_127057 All targets in OG5_127057
Trypanosoma brucei isocitrate dehydrogenase, putative Get druggable targets OG5_127057 All targets in OG5_127057
Leishmania major isocitrate dehydrogenase [NADP], mitochondrial precursor, putative 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
Candida albicans C terminus of cytosolic NADP-specific 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
Schistosoma mansoni tar DNA-binding protein Get druggable targets OG5_132461 All targets in OG5_132461
Brugia malayi TAR-binding protein Get druggable targets OG5_132461 All targets in OG5_132461
Schistosoma japonicum TAR DNA-binding protein 43, putative Get druggable targets OG5_132461 All targets in OG5_132461
Brugia malayi MH2 domain containing protein Get druggable targets OG5_131716 All targets in OG5_131716
Brugia malayi RNA recognition motif domain containing protein Get druggable targets OG5_132461 All targets in OG5_132461
Echinococcus multilocularis isocitrate dehydrogenase Get druggable targets OG5_127057 All targets in OG5_127057
Echinococcus granulosus NADP dependent 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
Candida albicans Mitochondrial NADP-specific isocitrate dehydrogenase Get druggable targets OG5_127057 All targets in OG5_127057
Echinococcus granulosus 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
Loa Loa (eye worm) MH2 domain-containing protein Get druggable targets OG5_131716 All targets in OG5_131716
Neospora caninum hypothetical protein Get druggable targets OG5_127057 All targets in OG5_127057
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_128206 All targets in OG5_128206
Brugia malayi Niemann-Pick C1 protein precursor Get druggable targets OG5_128206 All targets in OG5_128206
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 cruzi isocitrate dehydrogenase [NADP], mitochondrial precursor, putative Get druggable targets OG5_127057 All targets in OG5_127057
Brugia malayi Isocitrate dehydrogenase Get druggable targets OG5_127057 All targets in OG5_127057
Echinococcus multilocularis Niemann Pick C1 protein Get druggable targets OG5_128206 All targets in OG5_128206
Leishmania mexicana isocitrate dehydrogenase [NADP], mitochondrial precursor, putative Get druggable targets OG5_127057 All targets in OG5_127057
Leishmania braziliensis isocitrate dehydrogenase [NADP], mitochondrial precursor, putative Get druggable targets OG5_127057 All targets in OG5_127057
Trypanosoma brucei isocitrate dehydrogenase [NADP], mitochondrial precursor, putative Get druggable targets OG5_127057 All targets in OG5_127057
Schistosoma mansoni niemann-pick C1 (NPC1) Get druggable targets OG5_128206 All targets in OG5_128206
Plasmodium knowlesi isocitrate dehydrogenase [NADP], mitochondrial, putative Get druggable targets OG5_127057 All targets in OG5_127057
Loa Loa (eye worm) RNA recognition domain-containing protein domain-containing protein Get druggable targets OG5_132461 All targets in OG5_132461
Trypanosoma congolense isocitrate dehydrogenase, putative Get druggable targets OG5_127057 All targets in OG5_127057
Echinococcus multilocularis atpase aaa+ type core atpase aaa type core Get druggable targets OG5_139225 All targets in OG5_139225
Echinococcus granulosus Niemann Pick C1 protein Get druggable targets OG5_128206 All targets in OG5_128206
Candida albicans potential membrane protein similar to S. cerevisiae NCR1 (YPL006W) and human NPC1 late endosomal protein involved in sterol home Get druggable targets OG5_128206 All targets in OG5_128206
Echinococcus multilocularis Niemann Pick C1 protein Get druggable targets OG5_128206 All targets in OG5_128206
Plasmodium yoelii isocitrate dehydrogenase, NADP-dependent Get druggable targets OG5_127057 All targets in OG5_127057
Echinococcus multilocularis NADP dependent isocitrate dehydrogenase Get druggable targets OG5_127057 All targets in OG5_127057
Brugia malayi 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
Echinococcus granulosus Niemann Pick C1 protein Get druggable targets OG5_128206 All targets in OG5_128206
Schistosoma japonicum Niemann-Pick C1 protein precursor, putative Get druggable targets OG5_128206 All targets in OG5_128206
Trypanosoma brucei gambiense isocitrate dehydrogenase, putative Get druggable targets OG5_127057 All targets in OG5_127057
Plasmodium falciparum isocitrate dehydrogenase [NADP], mitochondrial Get druggable targets OG5_127057 All targets in OG5_127057
Leishmania infantum isocitrate dehydrogenase [NADP], mitochondrial precursor, putative Get druggable targets OG5_127057 All targets in OG5_127057
By sequence similarity to non orthologous known druggable targets
Species Potential target Known druggable target Length Alignment span Identity
Brugia malayi MH2 domain containing protein SMAD family member 2 467 aa 405 aa 31.6 %
Loa Loa (eye worm) pigment dispersing factor receptor c glucagon-like peptide 1 receptor 463 aa 388 aa 25.8 %
Brugia malayi Hypothetical 65.5 kDa Trp-Asp repeats containing protein F02E8.5 inchromosome X geminin, DNA replication inhibitor 209 aa 176 aa 27.8 %
Obtained from network model

Ranking Plot

Putative Targets List

Species Potential target Raw Global Species
Schistosoma mansoni protein kinase 0.0723 0.736 1
Schistosoma mansoni smad 0.001 0.0017 0.0024
Schistosoma mansoni tar DNA-binding protein 0.0076 0.0704 0.0957
Echinococcus granulosus GTPase activating Rap:RanGAP domain 3 0.0213 0.211 0.2877
Brugia malayi hypothetical protein 0.0182 0.1795 0.2439
Schistosoma mansoni rap gtpase-activating protein 0.0213 0.211 0.2866
Echinococcus granulosus mothers against decapentaplegic 5 0.001 0.0017 0.0024
Brugia malayi RNA binding protein 0.0076 0.0704 0.0957
Echinococcus multilocularis geminin 0.0205 0.2023 0.2023
Schistosoma mansoni tar DNA-binding protein 0.0076 0.0704 0.0957
Echinococcus multilocularis Smad4 0.001 0.0017 0.0017
Echinococcus multilocularis serine:threonine protein kinase MRCK beta 0.0216 0.2137 0.2137
Loa Loa (eye worm) transcription factor SMAD2 0.0144 0.1401 0.191
Brugia malayi MH2 domain containing protein 0.0144 0.1401 0.1903
Schistosoma mansoni mitogen-activated protein kinase kinase kinase 3 mapkkk3 mekk3 0.0213 0.211 0.2866
Schistosoma mansoni tar DNA-binding protein 0.0076 0.0704 0.0957
Echinococcus multilocularis tar DNA binding protein 0.0076 0.0704 0.0704
Schistosoma mansoni hypothetical protein 0.0019 0.0112 0.0153
Loa Loa (eye worm) RNA recognition domain-containing protein domain-containing protein 0.0076 0.0704 0.096
Schistosoma mansoni tar DNA-binding protein 0.0076 0.0704 0.0957
Echinococcus granulosus tar DNA binding protein 0.0076 0.0704 0.096
Loa Loa (eye worm) STE/STE20/MSN protein kinase 0.051 0.5167 0.7046
Plasmodium vivax isocitrate dehydrogenase [NADP], mitochondrial, putative 0.0019 0.0113 0.5
Brugia malayi Voltage-gated potassium channel, EAG (KCNH1)-related. C. elegans egl-2 ortholog 0.0012 0.0039 0.0053
Echinococcus multilocularis smad 0.001 0.0017 0.0017
Echinococcus multilocularis mothers against decapentaplegic 5 0.001 0.0017 0.0017
Echinococcus granulosus GPCR family 2 0.0019 0.0112 0.0153
Mycobacterium tuberculosis Probable isocitrate dehydrogenase [NADP] Icd1 (oxalosuccinate decarboxylase) (IDH) (NADP+-specific ICDH) (IDP) 0.0019 0.0113 0.5
Brugia malayi hypothetical protein 0.0213 0.211 0.2866
Brugia malayi MH1 domain containing protein 0.001 0.0017 0.0024
Echinococcus granulosus NADP dependent isocitrate dehydrogenase 0.0019 0.0113 0.0154
Loa Loa (eye worm) hypothetical protein 0.0062 0.056 0.0764
Echinococcus multilocularis sterol regulatory element binding protein 0.0051 0.0442 0.0442
Echinococcus multilocularis voltage gated potassium channel 0.0012 0.0039 0.0039
Echinococcus granulosus Niemann Pick C1 protein 0.017 0.1666 0.2272
Echinococcus granulosus Protein patched homolog 1 0.0051 0.0442 0.0602
Trichomonas vaginalis voltage and ligand gated potassium channel, putative 0.0038 0.0311 0.7049
Echinococcus multilocularis NADP dependent isocitrate dehydrogenase 0.0019 0.0113 0.0113
Schistosoma mansoni patched 1 0.0051 0.0442 0.06
Leishmania major isocitrate dehydrogenase [NADP], mitochondrial precursor, putative 0.0019 0.0113 0.5
Trypanosoma cruzi Vacuolar sorting protein 39 domain 1/Vacuolar sorting protein 39 domain 2, putative 0.0213 0.211 1
Schistosoma mansoni hypothetical protein 0.0049 0.0423 0.0574
Loa Loa (eye worm) hypothetical protein 0.0213 0.211 0.2877
Brugia malayi Smad1 0.001 0.0017 0.0024
Loa Loa (eye worm) TAR-binding protein 0.0076 0.0704 0.096
Echinococcus multilocularis Niemann Pick C1 protein 0.017 0.1666 0.1666
Schistosoma mansoni voltage-gated potassium channel 0.0045 0.0378 0.0514
Loa Loa (eye worm) hypothetical protein 0.0213 0.211 0.2877
Schistosoma mansoni hypothetical protein 0.0213 0.211 0.2866
Loa Loa (eye worm) hypothetical protein 0.072 0.7333 1
Schistosoma mansoni hypothetical protein 0.0049 0.0423 0.0574
Brugia malayi Temporarily assigned gene name protein 59 0.0213 0.211 0.2866
Loa Loa (eye worm) MH2 domain-containing protein 0.0144 0.1401 0.191
Echinococcus granulosus protein kinase 0.051 0.5167 0.7046
Schistosoma mansoni tar DNA-binding protein 0.0076 0.0704 0.0957
Loa Loa (eye worm) hypothetical protein 0.0019 0.0112 0.0153
Brugia malayi Latrophilin receptor protein 2 0.0019 0.0112 0.0153
Schistosoma mansoni protein kinase 0.0216 0.2137 0.2903
Echinococcus multilocularis potassium voltage gated channel subfamily H 0.0012 0.0039 0.0039
Echinococcus multilocularis isocitrate dehydrogenase 2 (NADP+) 0.0019 0.0113 0.0113
Echinococcus multilocularis mitogen activated protein kinase kinase kinase 0.0216 0.2137 0.2137
Brugia malayi RNA recognition motif domain containing protein 0.0076 0.0704 0.0957
Echinococcus granulosus serine:threonine protein kinase mig 15 0.072 0.7333 1
Brugia malayi probable protein kinase 0.0723 0.736 1
Schistosoma mansoni protein kinase 0.051 0.5167 0.702
Echinococcus multilocularis cadherin EGF LAG seven pass G type receptor 0.0019 0.0112 0.0112
Loa Loa (eye worm) MH1 domain-containing protein 0.001 0.0017 0.0024
Schistosoma mansoni NADP-specific isocitrate dehydrogenase 0.0019 0.0113 0.0153
Echinococcus multilocularis GPCR, family 2 0.0019 0.0112 0.0112
Schistosoma mansoni vam6/vps39 related 0.0213 0.211 0.2866
Echinococcus granulosus Niemann Pick C1 protein 0.0119 0.1141 0.1555
Loa Loa (eye worm) hypothetical protein 0.0041 0.034 0.0464
Trypanosoma brucei Vacuolar sorting protein 39 domain 1/Vacuolar sorting protein 39 domain 2, putative 0.0213 0.211 1
Echinococcus multilocularis mitogen activated protein kinase kinase kinase 0.0216 0.2137 0.2137
Schistosoma mansoni voltage-gated potassium channel 0.0012 0.0039 0.0053
Schistosoma mansoni serine/threonine protein kinase 0.0216 0.2137 0.2903
Schistosoma mansoni mitogen-activated protein kinase kinase kinase 3 mapkkk3 mekk3 0.0213 0.211 0.2866
Brugia malayi Voltage-gated potassium channel, HERG (KCNH2)-related. C. elegans unc-103 ortholog 0.0041 0.0339 0.0461
Schistosoma mansoni smad1 5 8 and 0.001 0.0017 0.0024
Echinococcus granulosus voltage gated potassium channel 0.0012 0.0039 0.0053
Loa Loa (eye worm) hypothetical protein 0.0119 0.1141 0.1555
Echinococcus multilocularis protein patched 0.0051 0.0442 0.0442
Echinococcus multilocularis TGF beta signal transducer SmadC 0.001 0.0017 0.0017
Schistosoma mansoni hypothetical protein 0.0205 0.2023 0.2749
Echinococcus multilocularis diuretic hormone 44 receptor GPRdih2 0.0019 0.0112 0.0112
Echinococcus granulosus diuretic hormone 44 receptor GPRdih2 0.0019 0.0112 0.0153
Brugia malayi MH1 domain containing protein 0.001 0.0017 0.0024
Schistosoma mansoni smad1 5 8 and 0.001 0.0017 0.0024
Loa Loa (eye worm) hypothetical protein 0.0213 0.211 0.2877
Trichomonas vaginalis conserved hypothetical protein 0.0051 0.0442 1
Brugia malayi Niemann-Pick C1 protein precursor 0.0119 0.1141 0.155
Schistosoma mansoni hypothetical protein 0.0049 0.0423 0.0574
Plasmodium falciparum isocitrate dehydrogenase [NADP], mitochondrial 0.0019 0.0113 0.5
Echinococcus granulosus cadherin EGF LAG seven pass G type receptor 0.0019 0.0112 0.0153
Brugia malayi MH2 domain containing protein 0.001 0.0017 0.0024
Loa Loa (eye worm) isocitrate dehydrogenase 0.0019 0.0113 0.0154
Echinococcus granulosus potassium voltage gated channel subfamily H 0.0012 0.0039 0.0053
Brugia malayi Protein kinase domain containing protein 0.0216 0.2137 0.2903
Toxoplasma gondii isocitrate dehydrogenase 0.0019 0.0113 0.5
Echinococcus granulosus mitogen activated protein kinase kinase kinase 0.0216 0.2137 0.2914
Brugia malayi latrophilin 2 splice variant baaae 0.0041 0.034 0.0462
Loa Loa (eye worm) hypothetical protein 0.0182 0.1795 0.2448
Schistosoma mansoni hypothetical protein 0.0049 0.0423 0.0574
Schistosoma mansoni hypothetical protein 0.0019 0.0112 0.0153
Loa Loa (eye worm) STE/STE20/KHS protein kinase 0.0216 0.2137 0.2914
Echinococcus granulosus potassium voltage gated channel subfamily H 0.0041 0.0339 0.0463
Schistosoma mansoni voltage-gated potassium channel 0.0045 0.0378 0.0514
Loa Loa (eye worm) abnormal chemotaxis protein 14 0.0051 0.0442 0.0602
Loa Loa (eye worm) RNA binding protein 0.0076 0.0704 0.096
Schistosoma mansoni hypothetical protein 0.0019 0.0112 0.0153
Trypanosoma cruzi Vacuolar sorting protein 39 domain 1/Vacuolar sorting protein 39 domain 2, putative 0.0213 0.211 1
Brugia malayi Isocitrate dehydrogenase 0.0019 0.0113 0.0153
Trichomonas vaginalis voltage and ligand gated potassium channel, putative 0.0038 0.0311 0.7049
Echinococcus granulosus Vam6:Vps39 protein 0.0213 0.211 0.2877
Echinococcus multilocularis potassium voltage gated channel subfamily H 0.0041 0.0339 0.0339
Echinococcus granulosus mitogen activated protein kinase kinase kinase 0.0216 0.2137 0.2914
Echinococcus multilocularis protein dispatched 1 0.0058 0.0516 0.0516
Brugia malayi TAR-binding protein 0.0076 0.0704 0.0957
Schistosoma mansoni TGF-beta signal transducer Smad2 0.001 0.0017 0.0024
Loa Loa (eye worm) MH2 domain-containing protein 0.001 0.0017 0.0024
Echinococcus multilocularis NADP dependent isocitrate dehydrogenase 0.0019 0.0113 0.0113
Loa Loa (eye worm) latrophilin receptor protein 2 0.0019 0.0112 0.0153
Loa Loa (eye worm) hypothetical protein 0.0012 0.0039 0.0053
Loa Loa (eye worm) pigment dispersing factor receptor c 0.006 0.0536 0.0731
Echinococcus granulosus smad 0.001 0.0017 0.0024
Toxoplasma gondii isocitrate dehydrogenase 0.0019 0.0113 0.5
Brugia malayi CHE-14 protein 0.0051 0.0442 0.06
Loa Loa (eye worm) voltage and ligand gated potassium channel 0.0041 0.0339 0.0463
Echinococcus granulosus geminin 0.0205 0.2023 0.2759
Echinococcus granulosus Serine/threonine-protein kinase Genghis Khan 0.0216 0.2137 0.2914
Schistosoma mansoni voltage-gated potassium channel 0.0012 0.0039 0.0053
Entamoeba histolytica Niemann-Pick C1 protein, putative 0.0119 0.1141 0.5
Echinococcus multilocularis isocitrate dehydrogenase 0.0019 0.0113 0.0113
Onchocerca volvulus 0.0213 0.211 1
Brugia malayi isocitrate dehydrogenase 0.0019 0.0113 0.0153
Echinococcus multilocularis expressed conserved protein 0.0112 0.1066 0.1066
Echinococcus granulosus TGF beta signal transducer SmadC 0.001 0.0017 0.0024
Brugia malayi Calcitonin receptor-like protein seb-1 0.006 0.0536 0.0729
Brugia malayi calcium-independent alpha-latrotoxin receptor 2, putative 0.0019 0.0112 0.0153
Schistosoma mansoni smad1 5 8 and 0.001 0.0017 0.0024
Loa Loa (eye worm) hypothetical protein 0.0051 0.0442 0.0602
Schistosoma mansoni Smad4 0.001 0.0017 0.0024
Echinococcus multilocularis GTPase activating Rap:RanGAP domain 3 0.0213 0.211 0.211
Schistosoma mansoni niemann-pick C1 (NPC1) 0.0121 0.116 0.1575
Loa Loa (eye worm) hypothetical protein 0.006 0.0536 0.0731
Echinococcus granulosus expressed conserved protein 0.0112 0.1066 0.1454
Echinococcus multilocularis 0.051 0.5167 0.5167
Echinococcus multilocularis NADP dependent isocitrate dehydrogenase 0.0019 0.0113 0.0113
Loa Loa (eye worm) hypothetical protein 0.0036 0.0283 0.0386
Schistosoma mansoni serine/threonine protein kinase 0.0216 0.2137 0.2903
Echinococcus granulosus Smad4 0.001 0.0017 0.0024
Echinococcus multilocularis Niemann Pick C1 protein 0.0119 0.1141 0.1141
Brugia malayi MH2 domain containing protein 0.001 0.0017 0.0024
Schistosoma mansoni hypothetical protein 0.0041 0.034 0.0462
Schistosoma mansoni hypothetical protein 0.0019 0.0112 0.0153
Echinococcus granulosus sterol regulatory element binding protein 0.0051 0.0442 0.0602
Schistosoma mansoni hypothetical protein 0.0205 0.2023 0.2749
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.006 0.0536 0.0729
Loa Loa (eye worm) Smad1 0.001 0.0017 0.0024

Activities

Activity type Activity value Assay description Source Reference
EC50 (functional) = 0.83 um PUBCHEM_BIOASSAY: Luminescence Cell-Based Dose Response HTS to Identify Compounds Cytotoxic to BJ-TERT-LT-ST RAS-Independent Fibroblast. (Class of assay: confirmatory) [Related pubchem assays: 1674 (Project Summary), 1554 (Primary HTS)] ChEMBL. No reference
EC50 (functional) = 1.92 um PUBCHEM_BIOASSAY: Luminescence Cell-Based Dose Response HTS to Identify Compounds Cytotoxic to BJ-TERT RAS-Independent Fibroblast. (Class of assay: confirmatory) [Related pubchem assays: 1674 (Project Summary), 1554 (Primary HTS)] ChEMBL. No reference
EC50 (functional) = 53.757 um PUBCHEM_BIOASSAY: Luminescence Cell-Based Dose Confirmation HTS to Identify Compounds Cytotoxic to BJeLR RAS-Dependent Fibroblast. (Class of assay: confirmatory) [Related pubchem assays: 1674 (Project Summary), 1554 (Primary HTS)] ChEMBL. No reference
Potency (functional) 1.0318 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) 1.122 uM PubChem BioAssay. qHTS of GLP-1 Receptor Inverse Agonists (Inhibition Mode). (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) = 1.2589 um PUBCHEM_BIOASSAY: qHTS Assay for NPC1 Promoter Activators. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 1.4125 uM PubChem BioAssay. qHTS for Inhibitors of Vif-A3G Interactions: qHTS. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 3.6626 uM PubChem BioAssay. A quantitative high throughput screen for small molecules that induce DNA re-replication in MCF 10a normal breast cells. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 4.1095 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) 6.5733 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) 10 uM PubChem BioAssay. qHTS of TDP-43 Inhibitors. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 17.7828 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) 22.3872 uM PubChem BioAssay. qHTS of PTHR Inhibitors: Primary Screen. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) = 31.6228 um PUBCHEM_BIOASSAY: qHTS for inhibitors of ROR gamma transcriptional activity. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 89.1251 uM PUBCHEM_BIOASSAY: HTS for Inhibitors of HP1-beta Chromodomain Interactions with Methylated Histone Tails. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID488962] ChEMBL. No reference
Potency (functional) 125.8925 uM PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of Rango (Ran-regulated importin-beta cargo) - Importin beta complex formation. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID540273] ChEMBL. No reference

Phenotypes

Whole-cell/tissue/organism interactions

Species name Source Reference Is orphan
Plasmodium falciparum ChEMBL23
Homo sapiens 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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