Detailed information for compound 1317340

Basic information

Technical information
  • TDR Targets ID: 1317340
  • Name: 1-(4-methoxyphenyl)-2-[[4-methyl-5-[[(4-pheny l-1,3-thiazol-2-yl)amino]methyl]-1,2,4-triazo l-3-yl]sulfanyl]ethanone
  • MW: 451.564 | Formula: C22H21N5O2S2
  • H donors: 1 H acceptors: 4 LogP: 4.19 Rotable bonds: 9
    Rule of 5 violations (Lipinski): 1
  • SMILES: COc1ccc(cc1)C(=O)CSc1nnc(n1C)CNc1scc(n1)c1ccccc1
  • InChi: 1S/C22H21N5O2S2/c1-27-20(12-23-21-24-18(13-30-21)15-6-4-3-5-7-15)25-26-22(27)31-14-19(28)16-8-10-17(29-2)11-9-16/h3-11,13H,12,14H2,1-2H3,(H,23,24)
  • InChiKey: MGNQIWZUTSRFEY-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

  • 1-(4-methoxyphenyl)-2-[[4-methyl-5-[[(4-phenylthiazol-2-yl)amino]methyl]-1,2,4-triazol-3-yl]sulfanyl]ethanone
  • 1-(4-methoxyphenyl)-2-[[4-methyl-5-[[(4-phenyl-2-thiazolyl)amino]methyl]-1,2,4-triazol-3-yl]thio]ethanone
  • 1-(4-methoxyphenyl)-2-[[4-methyl-5-[[(4-phenylthiazol-2-yl)amino]methyl]-1,2,4-triazol-3-yl]thio]ethanone
  • ASN 05446687
  • 1-(4-Methoxy-phenyl)-2-{4-methyl-5-[(4-phenyl-thiazol-2-ylamino)-methyl]-4H-[1,2,4]triazol-3-ylsulfanyl}-ethanone
  • MLS000073391
  • SMR000004698
  • Oprea1_552489
  • ZINC01340083
  • MLS000880338

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Homo sapiens GNAS complex locus Starlite/ChEMBL No references
Homo sapiens mitogen-activated protein kinase 1 Starlite/ChEMBL No references
Homo sapiens microtubule-associated protein tau Starlite/ChEMBL No references

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Trichomonas vaginalis CMGC family protein kinase Get druggable targets OG5_126781 All targets in OG5_126781
Echinococcus granulosus guanine nucleotide binding protein Gs subunit Get druggable targets OG5_131088 All targets in OG5_131088
Toxoplasma gondii CMGC kinase, MAPK family (ERK) MAPK-1 Get druggable targets OG5_126781 All targets in OG5_126781
Schistosoma japonicum ko:K04632 guanine nucleotide binding protein (G protein), alpha stimulating, putative Get druggable targets OG5_131088 All targets in OG5_131088
Schistosoma mansoni microtubule-associated protein tau Get druggable targets OG5_133504 All targets in OG5_133504
Echinococcus multilocularis mitogen activated protein kinase Get druggable targets OG5_126781 All targets in OG5_126781
Cryptosporidium parvum MAPK, putative Get druggable targets OG5_126781 All targets in OG5_126781
Schistosoma japonicum Mitogen-activated protein kinase 3, putative Get druggable targets OG5_126781 All targets in OG5_126781
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit Get druggable targets OG5_131088 All targets in OG5_131088
Trichomonas vaginalis CMGC family protein kinase Get druggable targets OG5_126781 All targets in OG5_126781
Giardia lamblia Kinase, CMGC MAPK Get druggable targets OG5_126781 All targets in OG5_126781
Trichomonas vaginalis CMGC family protein kinase Get druggable targets OG5_126781 All targets in OG5_126781
Trypanosoma brucei protein kinase, putative Get druggable targets OG5_126781 All targets in OG5_126781
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) Get druggable targets OG5_131088 All targets in OG5_131088
Echinococcus granulosus microtubule associated protein 2 Get druggable targets OG5_133504 All targets in OG5_133504
Brugia malayi GTP-binding regulatory protein Gs alpha-S chain, putative Get druggable targets OG5_131088 All targets in OG5_131088
Cryptosporidium hominis MAPK Get druggable targets OG5_126781 All targets in OG5_126781
Candida albicans MAP kinase implicated in PKC1-controlled signalling pathway Get druggable targets OG5_126781 All targets in OG5_126781
Echinococcus multilocularis microtubule associated protein 2 Get druggable targets OG5_133504 All targets in OG5_133504
Candida albicans Serine/threonine protein kinase of MAP kinase family Get druggable targets OG5_126781 All targets in OG5_126781
Trypanosoma cruzi mitogen-activated protein kinase 11, putative Get druggable targets OG5_126781 All targets in OG5_126781
Candida albicans Serine/threonine protein kinase of MAP kinase family Get druggable targets OG5_126781 All targets in OG5_126781
Leishmania donovani mitogen activated protein kinase, putative Get druggable targets OG5_126781 All targets in OG5_126781
Loa Loa (eye worm) CMGC/MAPK/ERK1 protein kinase Get druggable targets OG5_126781 All targets in OG5_126781
Schistosoma japonicum ko:K04380 microtubule-associated protein tau, putative Get druggable targets OG5_133504 All targets in OG5_133504
Candida albicans MAP kinase-like orf Get druggable targets OG5_126781 All targets in OG5_126781
Schistosoma mansoni serine/threonine protein kinase Get druggable targets OG5_126781 All targets in OG5_126781
Trypanosoma brucei gambiense protein kinase, putative,tyrosine protein kinase, putative Get druggable targets OG5_126781 All targets in OG5_126781
Schistosoma japonicum ko:K04371 extracellular signal-regulated kinase 1/2, putative Get druggable targets OG5_126781 All targets in OG5_126781
Leishmania braziliensis mitogen activated protein kinase 4, putative;with=GeneDB:LmxM19.1440,map kinase Get druggable targets OG5_126781 All targets in OG5_126781
Leishmania major mitogen activated protein kinase, putative,map kinase, putative Get druggable targets OG5_126781 All targets in OG5_126781
Brugia malayi MAP kinase sur-1 Get druggable targets OG5_126781 All targets in OG5_126781
Trypanosoma brucei gambiense mitogen-activated protein kinase, putative Get druggable targets OG5_126781 All targets in OG5_126781
Leishmania mexicana mitogen activated protein kinase, putative,map kinase, putative Get druggable targets OG5_126781 All targets in OG5_126781
Leishmania braziliensis mitogen activated protein kinase, putative,map kinase, putative Get druggable targets OG5_126781 All targets in OG5_126781
Echinococcus granulosus mitogen activated protein kinase 3 Get druggable targets OG5_126781 All targets in OG5_126781
Leishmania infantum mitogen activated protein kinase 4, putative;with=GeneDB:LmxM19.1440 Get druggable targets OG5_126781 All targets in OG5_126781
Loa Loa (eye worm) GTP-binding regulatory protein Gs alpha-S chain Get druggable targets OG5_131088 All targets in OG5_131088
Trypanosoma cruzi mitogen activated protein kinase 4, putative Get druggable targets OG5_126781 All targets in OG5_126781
Leishmania major mitogen activated protein kinase 4, putative;with=GeneDB:LmxM19.1440 Get druggable targets OG5_126781 All targets in OG5_126781
Candida albicans MAP kinase-like orf Get druggable targets OG5_126781 All targets in OG5_126781
Trypanosoma brucei mitogen activated protein kinase 4, putative Get druggable targets OG5_126781 All targets in OG5_126781
Echinococcus multilocularis mitogen activated protein kinase 3 Get druggable targets OG5_126781 All targets in OG5_126781
Trypanosoma cruzi mitogen activated protein kinase 2, putative Get druggable targets OG5_126781 All targets in OG5_126781
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) Get druggable targets OG5_131088 All targets in OG5_131088
Leishmania infantum mitogen activated protein kinase, putative,map kinase, putative Get druggable targets OG5_126781 All targets in OG5_126781
Leishmania mexicana mitogen-activated protein kinase Get druggable targets OG5_126781 All targets in OG5_126781
Schistosoma japonicum Mitogen-activated protein kinase 3, putative Get druggable targets OG5_126781 All targets in OG5_126781
Trichomonas vaginalis CMGC family protein kinase Get druggable targets OG5_126781 All targets in OG5_126781
Trypanosoma cruzi mitogen-activated protein kinase 11, putative Get druggable targets OG5_126781 All targets in OG5_126781
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit Get druggable targets OG5_131088 All targets in OG5_131088
Trypanosoma congolense tyrosine protein kinase, putative Get druggable targets OG5_126781 All targets in OG5_126781
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) Get druggable targets OG5_131088 All targets in OG5_131088
Echinococcus granulosus guanine nucleotide binding protein Gs subunit Get druggable targets OG5_131088 All targets in OG5_131088
Leishmania donovani mitogen-activated protein kinase 4 Get druggable targets OG5_126781 All targets in OG5_126781
Echinococcus granulosus mitogen activated protein kinase Get druggable targets OG5_126781 All targets in OG5_126781
By sequence similarity to non orthologous known druggable targets
Species Potential target Known druggable target Length Alignment span Identity
Trypanosoma brucei mitogen-activated protein kinase 5 mitogen-activated protein kinase 1 360 aa 361 aa 33.2 %
Schistosoma mansoni GTP-binding protein alpha subunit gna GNAS complex locus 394 aa 450 aa 28.7 %
Obtained from network model

Ranking Plot

Putative Targets List

Species Potential target Raw Global Species
Brugia malayi RNA recognition motif domain containing protein 0.0131 0.1406 0.2388
Echinococcus granulosus smad 0.0034 0.022 0.0139
Brugia malayi Calcitonin receptor-like protein seb-1 0.0424 0.4991 0.8479
Trichomonas vaginalis plasma membrane calcium-transporting ATPase, putative 0.0028 0.0151 0.2357
Schistosoma mansoni smad 0.0034 0.022 0.0139
Brugia malayi hypothetical protein 0.0054 0.0469 0.0796
Mycobacterium ulcerans metal cation transporter p-type ATPase a 0.0028 0.0151 1
Trypanosoma brucei isocitrate dehydrogenase, putative 0.0068 0.064 1
Echinococcus granulosus mitogen activated protein kinase 3 0.0062 0.0558 0.048
Echinococcus granulosus mothers against decapentaplegic 5 0.0034 0.022 0.0139
Loa Loa (eye worm) isocitrate dehydrogenase 0.0068 0.064 0.1088
Echinococcus granulosus NADP dependent isocitrate dehydrogenase 0.0068 0.064 0.0563
Leishmania major P-type ATPase, putative 0.0023 0.0082 0.0921
Leishmania major calcium-translocating P-type ATPase 0.0028 0.0151 0.2042
Leishmania major mitogen activated protein kinase, putative,map kinase, putative 0.0062 0.0558 0.8662
Trichomonas vaginalis CMGC family protein kinase 0.0062 0.0558 1
Trichomonas vaginalis CMGC family protein kinase 0.0062 0.0558 1
Toxoplasma gondii P-type ATPase4, putative 0.0028 0.0151 0.2042
Loa Loa (eye worm) transcription factor SMAD2 0.0497 0.5887 1
Echinococcus multilocularis smad 0.0034 0.022 0.0139
Schistosoma mansoni ATPase 0.0028 0.0151 0.007
Loa Loa (eye worm) hypothetical protein 0.0028 0.0151 0.0256
Echinococcus multilocularis sarco:endoplasmic reticulum calcium ATPase 0.0028 0.0151 0.007
Onchocerca volvulus 0.0491 0.5813 1
Entamoeba histolytica calcium-transporting P-type ATPase, putative 0.0028 0.0151 1
Trichomonas vaginalis CMGC family protein kinase 0.0062 0.0558 1
Entamoeba histolytica Plasma membrane calcium-transporting ATPase, putative 0.0028 0.0151 1
Echinococcus granulosus tar DNA binding protein 0.0131 0.1406 0.1335
Brugia malayi Latrophilin receptor protein 2 0.0134 0.1446 0.2457
Schistosoma mansoni sodium/potassium-dependent atpase beta subunit 0.0042 0.0325 0.0245
Echinococcus multilocularis mitogen activated protein kinase 0.0062 0.0558 0.048
Brugia malayi RNA binding protein 0.0131 0.1406 0.2388
Trichomonas vaginalis plasma membrane calcium-transporting ATPase, putative 0.0028 0.0151 0.2357
Echinococcus granulosus Smad4 0.0034 0.022 0.0139
Echinococcus multilocularis sodium:potassium dependent atpase beta subunit 0.0042 0.0325 0.0245
Toxoplasma gondii isocitrate dehydrogenase 0.0068 0.064 1
Echinococcus multilocularis Ataxin 2, N terminal,domain containing protein 0.0024 0.0103 0.0021
Brugia malayi MH2 domain containing protein 0.0034 0.022 0.0373
Schistosoma mansoni hypothetical protein 0.029 0.335 0.3296
Schistosoma mansoni Smad4 0.0034 0.022 0.0139
Brugia malayi MAP kinase sur-1 0.0062 0.0558 0.0948
Schistosoma mansoni tar DNA-binding protein 0.0131 0.1406 0.1335
Echinococcus granulosus sodium:potassium dependent atpase beta subunit 0.0042 0.0325 0.0245
Brugia malayi Isocitrate dehydrogenase 0.0068 0.064 0.1088
Leishmania major hypothetical protein, conserved 0.0054 0.0469 0.7206
Schistosoma mansoni hypothetical protein 0.0134 0.1446 0.1376
Echinococcus granulosus nervana 2 0.0042 0.0325 0.0245
Trypanosoma cruzi mitogen-activated protein kinase 11, putative 0.0062 0.0558 0.8662
Trypanosoma brucei vacuolar-type Ca2+-ATPase 2 0.0028 0.0151 0.2042
Toxoplasma gondii CMGC kinase, MAPK family (ERK) MAPK-1 0.0062 0.0558 0.8662
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0055 0.0481 0.0403
Loa Loa (eye worm) hypothetical protein 0.0134 0.1446 0.2457
Entamoeba histolytica Plasma membrane calcium-transporting ATPase, putative 0.0028 0.0151 1
Toxoplasma gondii LsmAD domain-containing protein 0.0054 0.0469 0.7206
Brugia malayi isocitrate dehydrogenase 0.0068 0.064 0.1088
Trypanosoma brucei isocitrate dehydrogenase [NADP], mitochondrial precursor, putative 0.0068 0.064 1
Trichomonas vaginalis cation-transporting ATPase fungi, putative 0.0028 0.0151 0.2357
Plasmodium falciparum ataxin-2 like protein, putative 0.0054 0.0469 0.6923
Echinococcus multilocularis sodium:potassium transporting ATPase subunit 0.0042 0.0325 0.0245
Loa Loa (eye worm) RNA binding protein 0.0131 0.1406 0.2388
Brugia malayi GTP-binding regulatory protein Gs alpha-S chain, putative 0.0055 0.0481 0.0817
Loa Loa (eye worm) MH1 domain-containing protein 0.0034 0.022 0.0373
Echinococcus multilocularis nervana 2 0.0042 0.0325 0.0245
Schistosoma mansoni smad1 5 8 and 0.0034 0.022 0.0139
Echinococcus multilocularis tar DNA binding protein 0.0131 0.1406 0.1335
Echinococcus multilocularis sodium:potassium dependent atpase beta subunit 0.0042 0.0325 0.0245
Leishmania major vacuolar-type Ca2 -ATPase, putative 0.0028 0.0151 0.2042
Schistosoma mansoni tar DNA-binding protein 0.0131 0.1406 0.1335
Entamoeba histolytica Plasma membrane calcium-transporting ATPase, putative 0.0028 0.0151 1
Loa Loa (eye worm) E1-E2 ATPase 0.0018 0.0025 0.0043
Loa Loa (eye worm) sodium/potassium-transporting ATPase subunit alpha 0.0019 0.004 0.0068
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0055 0.0481 0.0403
Toxoplasma gondii plasma membrane-type Ca(2+)-ATPase A1 PMCAA1 0.0023 0.0082 0.0921
Brugia malayi hypothetical protein 0.0491 0.5813 0.9875
Schistosoma mansoni smad1 5 8 and 0.0034 0.022 0.0139
Loa Loa (eye worm) nuclear factor I 0.0019 0.0035 0.0059
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0055 0.0481 0.0403
Toxoplasma gondii calcium-translocating P-type ATPase, PMCA-type protein 0.0028 0.0151 0.2042
Schistosoma mansoni sodium/potassium-dependent atpase beta subunit 0.0042 0.0325 0.0245
Mycobacterium leprae PROBABLE CATION-TRANSPORTER ATPASE I CTPI 0.0019 0.004 0.5
Trypanosoma cruzi Calcium ATPase SERCA-like 0.0028 0.0151 0.2042
Trichomonas vaginalis CMGC family protein kinase 0.0062 0.0558 1
Echinococcus granulosus diuretic hormone 44 receptor GPRdih2 0.0134 0.1446 0.1376
Echinococcus granulosus cadherin EGF LAG seven pass G type receptor 0.0134 0.1446 0.1376
Plasmodium vivax isocitrate dehydrogenase [NADP], mitochondrial, putative 0.0068 0.064 1
Loa Loa (eye worm) TAR-binding protein 0.0131 0.1406 0.2388
Brugia malayi hypothetical protein 0.0035 0.0234 0.0397
Loa Loa (eye worm) hypothetical protein 0.0491 0.5813 0.9875
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0055 0.0481 0.0403
Schistosoma mansoni hypothetical protein 0.0134 0.1446 0.1376
Echinococcus multilocularis NADP dependent isocitrate dehydrogenase 0.0068 0.064 0.0563
Echinococcus granulosus nervana 2 0.0042 0.0325 0.0245
Loa Loa (eye worm) latrophilin receptor protein 2 0.0134 0.1446 0.2457
Plasmodium vivax ataxin-2 like protein, putative 0.0054 0.0469 0.6489
Echinococcus granulosus sarco:endoplasmic reticulum calcium ATPase 0.0028 0.0151 0.007
Echinococcus multilocularis isocitrate dehydrogenase 2 (NADP+) 0.0068 0.064 0.0563
Schistosoma mansoni serine/threonine protein kinase 0.0062 0.0558 0.048
Trypanosoma cruzi mitogen activated protein kinase 4, putative 0.0062 0.0558 0.8662
Echinococcus granulosus plasma membrane calcium transporting ATPase 2 0.0028 0.0151 0.007
Brugia malayi MH1 domain containing protein 0.0034 0.022 0.0373
Schistosoma mansoni Na+/K+ transporting ATPase subunit alpha 0.0028 0.0151 0.007
Schistosoma mansoni tar DNA-binding protein 0.0131 0.1406 0.1335
Leishmania major vacuolar-type Ca2 -ATPase, putative 0.0028 0.0151 0.2042
Echinococcus granulosus TGF beta signal transducer SmadC 0.0034 0.022 0.0139
Loa Loa (eye worm) hypothetical protein 0.0042 0.0325 0.0553
Loa Loa (eye worm) hypothetical protein 0.025 0.2869 0.4874
Trypanosoma cruzi PAB1-binding protein , putative 0.0054 0.0469 0.7206
Leishmania major mitogen activated protein kinase 4, putative;with=GeneDB:LmxM19.1440 0.0062 0.0558 0.8662
Echinococcus multilocularis sodium:potassium dependent atpase beta subunit 0.0042 0.0325 0.0245
Schistosoma mansoni tar DNA-binding protein 0.0131 0.1406 0.1335
Loa Loa (eye worm) Na,K-ATPase alpha subunit 0.0028 0.0151 0.0256
Echinococcus granulosus sodium:potassium dependent atpase beta subunit 0.0042 0.0325 0.0245
Trypanosoma cruzi plasma membrane Ca2+ ATPase 0.0028 0.0151 0.2042
Loa Loa (eye worm) CMGC/MAPK/ERK1 protein kinase 0.0062 0.0558 0.0948
Leishmania major isocitrate dehydrogenase [NADP], mitochondrial precursor, putative 0.0068 0.064 1
Loa Loa (eye worm) hypothetical protein 0.0019 0.0035 0.0059
Loa Loa (eye worm) pigment dispersing factor receptor c 0.0424 0.4991 0.8479
Brugia malayi photoreceptor-specific nuclear receptor 0.025 0.2869 0.4874
Brugia malayi Membrane calcium atpase protein 3 0.0023 0.0082 0.0139
Trypanosoma brucei protein kinase, putative 0.0062 0.0558 0.8662
Trichomonas vaginalis plasma membrane calcium-transporting ATPase, putative 0.0028 0.0151 0.2357
Schistosoma mansoni TGF-beta signal transducer Smad2 0.0034 0.022 0.0139
Brugia malayi MH1 domain containing protein 0.0034 0.022 0.0373
Trypanosoma cruzi isocitrate dehydrogenase [NADP], mitochondrial precursor, putative 0.0068 0.064 1
Giardia lamblia Kinase, CMGC MAPK 0.0062 0.0558 1
Trypanosoma brucei vacuolar-type Ca2+-ATPase, putative 0.0028 0.0151 0.2042
Echinococcus multilocularis GPCR, family 2 0.0134 0.1446 0.1376
Schistosoma mansoni ATPase 0.0028 0.0151 0.007
Echinococcus granulosus Ataxin 2 N terminaldomain containing protein 0.0024 0.0103 0.0021
Echinococcus multilocularis nervana 2 0.0042 0.0325 0.0245
Trypanosoma brucei mitogen activated protein kinase 4, putative 0.0062 0.0558 0.8662
Loa Loa (eye worm) hypothetical protein 0.0042 0.0325 0.0553
Trypanosoma cruzi mitogen activated protein kinase 2, putative 0.0062 0.0558 0.8662
Giardia lamblia Plasma membrane calcium-transporting ATPase 2 0.0028 0.0151 0.1448
Echinococcus multilocularis Tetracycline resistance leader peptide, TetL 0.0028 0.0151 0.007
Schistosoma mansoni smad1 5 8 and 0.0034 0.022 0.0139
Echinococcus granulosus mitogen activated protein kinase 0.0062 0.0558 0.048
Trypanosoma cruzi plasma membrane Ca2+ ATPase 0.0028 0.0151 0.2042
Schistosoma mansoni tar DNA-binding protein 0.0131 0.1406 0.1335
Trypanosoma cruzi isocitrate dehydrogenase, putative 0.0068 0.064 1
Plasmodium falciparum non-SERCA-type Ca2+ -transporting P-ATPase 0.0028 0.0151 0.1235
Brugia malayi Na,K-ATPase alpha subunit 0.0028 0.0151 0.0256
Schistosoma mansoni hypothetical protein 0.0134 0.1446 0.1376
Trypanosoma cruzi PAB1-binding protein , putative 0.0054 0.0469 0.7206
Leishmania major calcium motive p-type ATPase, putative 0.0023 0.0082 0.0921
Brugia malayi MH2 domain containing protein 0.0497 0.5887 1
Trichomonas vaginalis plasma membrane calcium-transporting ATPase, putative 0.0028 0.0151 0.2357
Brugia malayi Calcium-transporting ATPase sarcoplasmic/endoplasmic reticulum type 0.0023 0.0082 0.0139
Echinococcus multilocularis nervana 2 0.0042 0.0325 0.0245
Toxoplasma gondii sarco/endoplasmic reticulum Ca2+-ATPase 0.0028 0.0151 0.2042
Loa Loa (eye worm) hypothetical protein 0.029 0.335 0.5691
Trypanosoma cruzi mitogen-activated protein kinase 11, putative 0.0062 0.0558 0.8662
Mycobacterium tuberculosis Probable isocitrate dehydrogenase [NADP] Icd1 (oxalosuccinate decarboxylase) (IDH) (NADP+-specific ICDH) (IDP) 0.0068 0.064 1
Schistosoma mansoni NADP-specific isocitrate dehydrogenase 0.0068 0.064 0.0563
Schistosoma mansoni sodium / potassium ATPase beta chain 0.0042 0.0325 0.0245
Echinococcus multilocularis nervana 2 0.0042 0.0325 0.0245
Brugia malayi TAR-binding protein 0.0131 0.1406 0.2388
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0055 0.0481 0.0403
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.0424 0.4991 0.8479
Brugia malayi latrophilin 2 splice variant baaae 0.029 0.335 0.5691
Schistosoma mansoni transmemberane protein 0.0042 0.0325 0.0245
Trichomonas vaginalis cation-transporting ATPase, putative 0.0028 0.0151 0.2357
Mycobacterium ulcerans metal cation-transporting p-type ATPase F, CtpF 0.0028 0.0151 1
Toxoplasma gondii isocitrate dehydrogenase 0.0068 0.064 1
Loa Loa (eye worm) GTP-binding regulatory protein Gs alpha-S chain 0.0055 0.0481 0.0817
Echinococcus granulosus nervana 2 0.0042 0.0325 0.0245
Schistosoma mansoni hypothetical protein 0.0024 0.0103 0.0021
Trypanosoma cruzi calcium motive p-type ATPase, putative 0.0023 0.0082 0.0921
Plasmodium falciparum isocitrate dehydrogenase [NADP], mitochondrial 0.0068 0.064 1
Echinococcus multilocularis Smad4 0.0034 0.022 0.0139
Onchocerca volvulus 0.0042 0.0325 0.0308
Echinococcus multilocularis cadherin EGF LAG seven pass G type receptor 0.0134 0.1446 0.1376
Loa Loa (eye worm) hypothetical protein 0.0054 0.0469 0.0796
Echinococcus granulosus nervana 2 0.0042 0.0325 0.0245
Schistosoma mansoni microtubule-associated protein tau 0.0833 1 1
Trichomonas vaginalis cation-transporting ATPase, putative 0.0028 0.0151 0.2357
Schistosoma mansoni sodium/potassium-dependent atpase beta subunit 0.0042 0.0325 0.0245
Loa Loa (eye worm) MH2 domain-containing protein 0.0034 0.022 0.0373
Loa Loa (eye worm) MH2 domain-containing protein 0.0497 0.5887 1
Echinococcus granulosus sodium:potassium transporting ATPase subunit 0.0042 0.0325 0.0245
Echinococcus multilocularis isocitrate dehydrogenase 0.0068 0.064 0.0563
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0055 0.0481 0.0403
Leishmania major calcium-transporting ATPase, putative 0.0023 0.0082 0.0921
Echinococcus multilocularis NADP dependent isocitrate dehydrogenase 0.0068 0.064 0.0563
Echinococcus multilocularis microtubule associated protein 2 0.0833 1 1
Onchocerca volvulus 0.0042 0.0325 0.0308
Loa Loa (eye worm) hypothetical protein 0.0028 0.0151 0.0256
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0055 0.0481 0.0403
Brugia malayi Smad1 0.0034 0.022 0.0373
Echinococcus multilocularis mitogen activated protein kinase 3 0.0062 0.0558 0.048
Brugia malayi calcium-independent alpha-latrotoxin receptor 2, putative 0.0134 0.1446 0.2457
Trichomonas vaginalis plasma membrane calcium-transporting ATPase, putative 0.0028 0.0151 0.2357
Echinococcus multilocularis diuretic hormone 44 receptor GPRdih2 0.0134 0.1446 0.1376
Brugia malayi MH1 domain containing protein 0.0019 0.0035 0.0059
Brugia malayi MH2 domain containing protein 0.0034 0.022 0.0373
Loa Loa (eye worm) Smad1 0.0034 0.022 0.0373
Plasmodium falciparum ataxin-2 like protein, putative 0.0054 0.0469 0.6923
Brugia malayi MH1 domain containing protein 0.0019 0.0035 0.0059
Trypanosoma brucei PAB1-binding protein , putative 0.0054 0.0469 0.7206
Trichomonas vaginalis cation-transporting ATPase, putative 0.0028 0.0151 0.2357
Echinococcus multilocularis calcium transporting ATPase type 2C member 0.0028 0.0151 0.007
Echinococcus multilocularis TGF beta signal transducer SmadC 0.0034 0.022 0.0139
Brugia malayi E1-E2 ATPase family protein 0.0018 0.0025 0.0043
Trypanosoma brucei vacuolar-type Ca2+-ATPase 1 0.0028 0.0151 0.2042
Echinococcus multilocularis NADP dependent isocitrate dehydrogenase 0.0068 0.064 0.0563
Brugia malayi Sodium/potassium-transporting ATPase alpha chain, putative 0.0019 0.004 0.0068
Trypanosoma cruzi calcium motive p-type ATPase, putative 0.0023 0.0082 0.0921
Trichomonas vaginalis plasma membrane calcium-transporting ATPase, putative 0.0023 0.0082 0.1063
Echinococcus multilocularis mothers against decapentaplegic 5 0.0034 0.022 0.0139
Loa Loa (eye worm) RNA recognition domain-containing protein domain-containing protein 0.0131 0.1406 0.2388
Echinococcus granulosus calcium transporting ATPase type 2C member 0.0028 0.0151 0.007
Trypanosoma brucei calcium motive p-type ATPase, putative 0.0023 0.0082 0.0921
Echinococcus granulosus sodium:potassium dependent atpase beta subunit 0.0042 0.0325 0.0245
Loa Loa (eye worm) hypothetical protein 0.0424 0.4991 0.8479
Trypanosoma brucei calcium-translocating P-type ATPase 0.0023 0.0082 0.0921
Schistosoma mansoni hypothetical protein 0.0134 0.1446 0.1376
Echinococcus granulosus GPCR family 2 0.0134 0.1446 0.1376

Activities

Activity type Activity value Assay description Source Reference
Potency (functional) 2.8184 uM PubChem BioAssay. qHTS for Agonist of gsp, the Etiologic Mutation Responsible for Fibrous Dysplasia/McCune-Albright Syndrome: qHTS. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) = 3.1623 um PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of the ERK Signaling Pathway using a Homogeneous Screening Assay. (Class of assay: confirmatory) ChEMBL. No reference
Potency (binding) = 14.1254 um PUBCHEM_BIOASSAY: qHTS for Inhibitors of Tau Fibril Formation, Thioflavin T Binding. (Class of assay: confirmatory) [Related pubchem assays: 596 ] ChEMBL. No reference
Potency (functional) 16.5113 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) 20.5962 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) 22.3872 uM PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of Histone Lysine Methyltransferase G9a. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID504404] ChEMBL. No reference
Potency (functional) = 28.1838 um PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of Aldehyde Dehydrogenase 1 (ALDH1A1). (Class of assay: confirmatory) [Related pubchem assays: 1030 (qHTS Validation Assay for Inhibitors of aldehyde dehydrogenase 1 (ALDH1A1))] ChEMBL. No reference
Potency (binding) = 28.1838 um PUBCHEM_BIOASSAY: qHTS Assay for Identification of Novel General Anesthetics. In this assay, a GABAergic mimetic model system, apoferritin and a profluorescent 1-aminoanthracene ligand (1-AMA), was used to construct a competitive binding assay for identification of novel general anesthetics (Class of assay: confirmatory) [Related pubchem assays: 2385 (Probe Development Summary for Identification of Novel General Anesthetics), 2323 (Validation apoferritin assay run on SigmaAldrich LOPAC1280 collection)] 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) 28.1838 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) = 31.6228 um PUBCHEM_BIOASSAY: qHTS Assay for Agonists of the Thyroid Stimulating Hormone Receptor. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) = 31.6228 um PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of 15-hLO (15-human lipoxygenase). (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) = 31.6228 um PUBCHEM_BIOASSAY: qHTS Assay for Agonists of the Thyroid Stimulating Hormone Receptor: Activators of Intracellular cAMP Concentrations in Parental HEK 293. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 31.6228 uM PubChem BioAssay. qHTS for Inhibitors of WRN Helicase. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) = 35.4813 um PUBCHEM_BIOASSAY: qHTS Assay for Modulators of Lamin A Splicing. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 84.9214 uM PubChem BioAssay. qHTS Assay to Find Inhibitors of Pin1. (Class of assay: confirmatory) 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.
 
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External resources for this compound

Bibliographic References

No literature references available for this target.

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