Detailed information for compound 1243674

Basic information

Technical information
  • TDR Targets ID: 1243674
  • Name: 1-cyclohexyl-3-[(4-morpholin-4-ylphenyl)amino ]pyrrolidine-2,5-dione
  • MW: 357.447 | Formula: C20H27N3O3
  • H donors: 1 H acceptors: 2 LogP: 2.52 Rotable bonds: 4
    Rule of 5 violations (Lipinski): 1
  • SMILES: O=C1CC(C(=O)N1C1CCCCC1)Nc1ccc(cc1)N1CCOCC1
  • InChi: 1S/C20H27N3O3/c24-19-14-18(20(25)23(19)17-4-2-1-3-5-17)21-15-6-8-16(9-7-15)22-10-12-26-13-11-22/h6-9,17-18,21H,1-5,10-14H2
  • InChiKey: DSMQPIRLSPLZJU-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

  • 1-cyclohexyl-3-[(4-morpholinophenyl)amino]pyrrolidine-2,5-dione
  • 1-cyclohexyl-3-[(4-morpholinophenyl)amino]pyrrolidine-2,5-quinone
  • MLS000099713
  • IFLab1_006160
  • MLS000103483
  • ST5326150
  • SMR000017354

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Homo sapiens mitogen-activated protein kinase 1 Starlite/ChEMBL No references
Human immunodeficiency virus type 1 group M subtype B (isolate HXB2)(HIV-1) Human immunodeficiency virus type 1 Tat protein Starlite/ChEMBL No references
Homo sapiens microtubule-associated protein tau Starlite/ChEMBL No references
Homo sapiens tyrosyl-DNA phosphodiesterase 1 Starlite/ChEMBL No references
Homo sapiens l(3)mbt-like 1 (Drosophila) Starlite/ChEMBL No references
Homo sapiens euchromatic histone-lysine N-methyltransferase 2 Starlite/ChEMBL No references
Homo sapiens glucosidase, alpha Starlite/ChEMBL No references
Homo sapiens GNAS complex locus Starlite/ChEMBL No references

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Echinococcus multilocularis lysosomal alpha glucosidase Get druggable targets OG5_127055 All targets in OG5_127055
Schistosoma japonicum Mitogen-activated protein kinase 3, putative Get druggable targets OG5_126781 All targets in OG5_126781
Trypanosoma congolense tyrosine protein kinase, putative Get druggable targets OG5_126781 All targets in OG5_126781
Trypanosoma congolense tyrosyl-DNA Phosphodiesterase (Tdp1), putative Get druggable targets OG5_129037 All targets in OG5_129037
Echinococcus granulosus mitogen activated protein kinase 3 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
Onchocerca volvulus Get druggable targets OG5_127055 All targets in OG5_127055
Cryptosporidium parvum tyrosyl-DNA phodphodiesterase 1 (tdp1) Get druggable targets OG5_129037 All targets in OG5_129037
Trichomonas vaginalis set domain proteins, putative Get druggable targets OG5_131470 All targets in OG5_131470
Trichomonas vaginalis CMGC family protein kinase Get druggable targets OG5_126781 All targets in OG5_126781
Leishmania infantum mitogen activated protein kinase, putative,map kinase, putative 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 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
Candida albicans closely related to C. albicans GCA1 cell wall mannoprotein glycosyl hydrolase Get druggable targets OG5_127055 All targets in OG5_127055
Candida albicans cell wall mannoprotein glycosyl hydrolase whose expression increases in presence of galatose Get druggable targets OG5_127055 All targets in OG5_127055
Trypanosoma brucei protein kinase, putative 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
Leishmania braziliensis mitogen activated protein kinase 4, putative;with=GeneDB:LmxM19.1440,map kinase Get druggable targets OG5_126781 All targets in OG5_126781
Echinococcus granulosus tyrosyl DNA phosphodiesterase 1 Get druggable targets OG5_129037 All targets in OG5_129037
Schistosoma japonicum Lethal(3)malignant brain tumor-like 3 protein, putative Get druggable targets OG5_130415 All targets in OG5_130415
Trypanosoma cruzi tyrosyl-DNA Phosphodiesterase (Tdp1), putative Get druggable targets OG5_129037 All targets in OG5_129037
Loa Loa (eye worm) tyrosyl-DNA phosphodiesterase Get druggable targets OG5_129037 All targets in OG5_129037
Candida albicans cell wall mannoprotein glycosyl hydrolase whose expression increases in presence of galatose Get druggable targets OG5_127055 All targets in OG5_127055
Schistosoma mansoni tyrosyl-DNA phosphodiesterase Get druggable targets OG5_129037 All targets in OG5_129037
Echinococcus multilocularis mitogen activated protein kinase Get druggable targets OG5_126781 All targets in OG5_126781
Leishmania braziliensis tyrosyl-DNA phosphodiesterase, putative;with=GeneDB:LinJ33_V3.3210 Get druggable targets OG5_129037 All targets in OG5_129037
Leishmania mexicana mitogen activated protein kinase, putative,map kinase, putative 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
Schistosoma japonicum Lethal(3)malignant brain tumor-like 4 protein, putative Get druggable targets OG5_130415 All targets in OG5_130415
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit Get druggable targets OG5_131088 All targets in OG5_131088
Leishmania infantum tyrosyl-DNA phosphodiesterase 1 Get druggable targets OG5_129037 All targets in OG5_129037
Schistosoma japonicum ko:K04371 extracellular signal-regulated kinase 1/2, putative Get druggable targets OG5_126781 All targets in OG5_126781
Entamoeba histolytica tyrosyl-DNA phosphodiesterase, putative Get druggable targets OG5_129037 All targets in OG5_129037
Echinococcus granulosus transcription factor Dp 1 Get druggable targets OG5_129037 All targets in OG5_129037
Schistosoma japonicum Lysosomal alpha-glucosidase precursor, putative Get druggable targets OG5_127055 All targets in OG5_127055
Cryptosporidium parvum MAPK, putative Get druggable targets OG5_126781 All targets in OG5_126781
Onchocerca volvulus Get druggable targets OG5_131470 All targets in OG5_131470
Brugia malayi Glycosyl hydrolases family 31 protein Get druggable targets OG5_127055 All targets in OG5_127055
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit Get druggable targets OG5_131088 All targets in OG5_131088
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 hypothetical protein Get druggable targets OG5_127055 All targets in OG5_127055
Trypanosoma brucei gambiense tyrosyl-DNA Phosphodiesterase (Tdp1), putative Get druggable targets OG5_129037 All targets in OG5_129037
Schistosoma mansoni alpha-glucosidase Get druggable targets OG5_127055 All targets in OG5_127055
Trypanosoma brucei gambiense protein kinase, putative,tyrosine protein kinase, putative Get druggable targets OG5_126781 All targets in OG5_126781
Echinococcus multilocularis transcription factor Dp 1 Get druggable targets OG5_129037 All targets in OG5_129037
Candida albicans closely related to C. albicans GCA1 cell wall mannoprotein glycosyl hydrolase Get druggable targets OG5_127055 All targets in OG5_127055
Brugia malayi MAP kinase sur-1 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
Trypanosoma brucei mitogen activated protein kinase 4, putative 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
Candida albicans Serine/threonine protein kinase of MAP kinase family 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 2, putative Get druggable targets OG5_126781 All targets in OG5_126781
Schistosoma mansoni alpha-glucosidase Get druggable targets OG5_127055 All targets in OG5_127055
Loa Loa (eye worm) pre-SET domain-containing protein family protein Get druggable targets OG5_131470 All targets in OG5_131470
Echinococcus multilocularis microtubule associated protein 2 Get druggable targets OG5_133504 All targets in OG5_133504
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 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
Cryptosporidium hominis hypothetical protein Get druggable targets OG5_129037 All targets in OG5_129037
Cryptosporidium hominis MAPK Get druggable targets OG5_126781 All targets in OG5_126781
Leishmania mexicana tyrosyl-DNA phosphodiesterase-like protein Get druggable targets OG5_129037 All targets in OG5_129037
Leishmania major mitogen activated protein kinase 4, putative;with=GeneDB:LmxM19.1440 Get druggable targets OG5_126781 All targets in OG5_126781
Loa Loa (eye worm) glycosyl hydrolase family 31 protein Get druggable targets OG5_127055 All targets in OG5_127055
Candida albicans MAP kinase-like orf Get druggable targets OG5_126781 All targets in OG5_126781
Echinococcus granulosus microtubule associated protein 2 Get druggable targets OG5_133504 All targets in OG5_133504
Schistosoma japonicum ko:K01187 alpha-glucosidase [EC3.2.1.20], putative Get druggable targets OG5_127055 All targets in OG5_127055
Leishmania donovani mitogen activated protein kinase, putative Get druggable targets OG5_126781 All targets in OG5_126781
Trypanosoma cruzi tyrosyl-DNA Phosphodiesterase (Tdp1), putative Get druggable targets OG5_129037 All targets in OG5_129037
Echinococcus granulosus lysosomal alpha glucosidase Get druggable targets OG5_127055 All targets in OG5_127055
Leishmania braziliensis mitogen activated protein kinase, putative,map kinase, putative Get druggable targets OG5_126781 All targets in OG5_126781
Schistosoma mansoni hypothetical protein Get druggable targets OG5_130415 All targets in OG5_130415
Candida albicans hypothetical protein Get druggable targets OG5_127055 All targets in OG5_127055
Toxoplasma gondii CMGC kinase, MAPK family (ERK) MAPK-1 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
Echinococcus multilocularis tyrosyl DNA phosphodiesterase 1 Get druggable targets OG5_129037 All targets in OG5_129037
Trypanosoma brucei tyrosyl-DNA Phosphodiesterase (Tdp1), putative Get druggable targets OG5_129037 All targets in OG5_129037
Leishmania major mitogen activated protein kinase, putative,map kinase, putative 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
Trichomonas vaginalis CMGC family protein kinase Get druggable targets OG5_126781 All targets in OG5_126781
Candida albicans hypothetical protein Get druggable targets OG5_127055 All targets in OG5_127055
Schistosoma mansoni serine/threonine protein kinase Get druggable targets OG5_126781 All targets in OG5_126781
Echinococcus multilocularis endonuclease exonuclease phosphatase Get druggable targets OG5_130415 All targets in OG5_130415
Candida albicans MAP kinase-like orf Get druggable targets OG5_126781 All targets in OG5_126781
Leishmania major tyrosyl-DNA phosphodiesterase 1 Get druggable targets OG5_129037 All targets in OG5_129037
Candida albicans MAP kinase implicated in PKC1-controlled signalling pathway Get druggable targets OG5_126781 All targets in OG5_126781
Schistosoma mansoni microtubule-associated protein tau Get druggable targets OG5_133504 All targets in OG5_133504
Leishmania donovani mitogen-activated protein kinase 4 Get druggable targets OG5_126781 All targets in OG5_126781
Schistosoma japonicum ko:K01113 phosphodiesterase/alkaline phosphatase D [EC3.1.4.1], putative Get druggable targets OG5_129037 All targets in OG5_129037
Brugia malayi Pre-SET motif family protein Get druggable targets OG5_131470 All targets in OG5_131470
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
Trypanosoma cruzi mitogen-activated protein kinase 11, 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 lysosomal alpha glucosidase Get druggable targets OG5_127055 All targets in OG5_127055
Schistosoma japonicum ko:K04632 guanine nucleotide binding protein (G protein), alpha stimulating, putative Get druggable targets OG5_131088 All targets in OG5_131088
Brugia malayi GTP-binding regulatory protein Gs alpha-S chain, putative Get druggable targets OG5_131088 All targets in OG5_131088
Leishmania donovani tyrosyl-DNA phosphodiesterase-like protein Get druggable targets OG5_129037 All targets in OG5_129037
Leishmania infantum mitogen activated protein kinase 4, putative;with=GeneDB:LmxM19.1440 Get druggable targets OG5_126781 All targets in OG5_126781
Echinococcus granulosus endonuclease exonuclease phosphatase Get druggable targets OG5_130415 All targets in OG5_130415
Brugia malayi Tyrosyl-DNA phosphodiesterase family protein Get druggable targets OG5_129037 All targets in OG5_129037
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
Candida albicans Serine/threonine protein kinase of MAP kinase family 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
Echinococcus multilocularis squamous cell carcinoma antigen Human immunodeficiency virus type 1 Tat protein   86 aa 79 aa 30.4 %
Schistosoma mansoni GTP-binding protein alpha subunit gna GNAS complex locus 394 aa 450 aa 28.7 %
Trypanosoma brucei mitogen-activated protein kinase 5 mitogen-activated protein kinase 1 360 aa 361 aa 33.2 %
Obtained from network model

Ranking Plot

Putative Targets List

Species Potential target Raw Global Species
Leishmania major P-type ATPase, putative 0.0106 0.046 1
Echinococcus multilocularis arachidonate 5 lipoxygenase 0.0064 0.0104 0.0116
Echinococcus multilocularis calcium transporting ATPase type 2C member 0.0106 0.046 0.0647
Brugia malayi Probable calcium-transporting ATPase KIAA0703 0.0067 0.0129 0.0661
Schistosoma mansoni myelin transcription factor 1 myt1 0.0066 0.0115 0.0133
Schistosoma mansoni alpha-glucosidase 0.0169 0.1011 0.1467
Trypanosoma cruzi mitogen activated protein kinase 4, putative 0.0062 0.008 0.1735
Echinococcus multilocularis nervana 2 0.0545 0.4252 0.6289
Brugia malayi GTP-binding regulatory protein Gs alpha-S chain, putative 0.0055 0.0026 0.0131
Echinococcus multilocularis Ca2+ transporting ATPase plasma membrane 0.0106 0.046 0.0647
Loa Loa (eye worm) hypothetical protein 0.0067 0.0129 0.0303
Echinococcus granulosus Na:K ATPase alpha subunit 0.0278 0.1948 0.2861
Schistosoma mansoni sodium/potassium-dependent atpase beta subunit 0.045 0.3439 0.508
Trypanosoma cruzi calcium motive p-type ATPase, putative 0.0106 0.046 1
Onchocerca volvulus 0.045 0.3439 0.8067
Leishmania major calcium-transporting ATPase, putative 0.0106 0.046 1
Entamoeba histolytica Plasma membrane calcium-transporting ATPase, putative 0.0096 0.0376 0.8131
Loa Loa (eye worm) hypothetical protein 0.0058 0.0046 0.0108
Trichomonas vaginalis CMGC family protein kinase 0.0062 0.008 0.0396
Echinococcus multilocularis sodium:potassium dependent atpase beta subunit 0.0545 0.4252 0.6289
Trichomonas vaginalis CMGC family protein kinase 0.0062 0.008 0.0396
Leishmania major calcium motive p-type ATPase, putative 0.0106 0.046 1
Toxoplasma gondii CMGC kinase, MAPK family (ERK) MAPK-1 0.0062 0.008 0.1735
Brugia malayi Na,K-ATPase alpha subunit 0.0278 0.1948 1
Trichomonas vaginalis cation-transporting ATPase fungi, putative 0.0096 0.0376 0.1863
Echinococcus multilocularis sodium:potassium dependent atpase beta subunit 0.0545 0.4252 0.6289
Echinococcus granulosus suppression of tumorigenicity 18 protein 0.0066 0.0115 0.0133
Schistosoma mansoni calcium-transporting atpase sarcoplasmic/endoplasmic reticulum type (calcium pump) 0.0106 0.046 0.0647
Loa Loa (eye worm) tyrosyl-DNA phosphodiesterase 0.008 0.0237 0.0557
Leishmania major mitogen activated protein kinase 4, putative;with=GeneDB:LmxM19.1440 0.0062 0.008 0.1735
Echinococcus granulosus sarco:endoplasmic reticulum calcium ATPase 0.0096 0.0376 0.0522
Trypanosoma cruzi calcium motive p-type ATPase, putative 0.0106 0.046 1
Echinococcus multilocularis polycomb protein SCMH1 0.0058 0.0046 0.003
Brugia malayi mbt repeat family protein 0.0058 0.0046 0.0236
Giardia lamblia Potassium-transporting ATPase alpha chain 1 0.0278 0.1948 1
Brugia malayi C2-HC type zinc finger protein C.e-MyT1 0.0066 0.0115 0.0589
Schistosoma mansoni scm-relatedprotein containing 4 mbt domains (sfmbt) 0.0058 0.0046 0.003
Echinococcus multilocularis plasma membrane calcium transporting ATPase 0.0106 0.046 0.0647
Trypanosoma brucei protein kinase, putative 0.0062 0.008 0.1735
Echinococcus granulosus SAM and MBT domain containing protein 0.0058 0.0046 0.003
Mycobacterium ulcerans metal cation-transporting p-type ATPase F, CtpF 0.0106 0.046 0.0418
Schistosoma mansoni na+/k+ atpase alpha subunit 0.0278 0.1948 0.2861
Loa Loa (eye worm) hypothetical protein 0.0066 0.0115 0.027
Echinococcus granulosus nervana 2 0.045 0.3439 0.508
Brugia malayi Sodium/potassium-transporting ATPase alpha chain, putative 0.0239 0.1616 0.8297
Echinococcus granulosus arachidonate 5 lipoxygenase 0.0064 0.0104 0.0116
Schistosoma mansoni calcium-transporting atpase sarcoplasmic/endoplasmic reticulum type (calcium pump) 0.0106 0.046 0.0647
Loa Loa (eye worm) glycosyl hydrolase family 31 protein 0.0197 0.1248 0.2934
Plasmodium vivax P-type ATPase4, putative 0.0106 0.046 0.5
Echinococcus granulosus sodium:potassium transporting ATPase subunit 0.0545 0.4252 0.6289
Mycobacterium leprae Isocitrate lyase 0.0567 0.4448 0.3443
Echinococcus granulosus lysosomal alpha glucosidase 0.0197 0.1248 0.1819
Echinococcus multilocularis suppression of tumorigenicity 18 protein 0.0066 0.0115 0.0133
Trypanosoma cruzi tyrosyl-DNA Phosphodiesterase (Tdp1), putative 0.008 0.0237 0.5146
Schistosoma mansoni ATPase 0.0096 0.0376 0.0522
Schistosoma mansoni lipoxygenase 0.0064 0.0104 0.0116
Echinococcus granulosus sodium:potassium dependent atpase beta subunit 0.045 0.3439 0.508
Entamoeba histolytica Plasma membrane calcium-transporting ATPase, putative 0.0096 0.0376 0.8131
Trichomonas vaginalis cation-transporting ATPase, putative 0.0096 0.0376 0.1863
Loa Loa (eye worm) hypothetical protein 0.0545 0.4252 1
Echinococcus multilocularis tyrosyl DNA phosphodiesterase 1 0.008 0.0237 0.0315
Mycobacterium ulcerans metal cation transporter p-type ATPase a 0.0268 0.1864 0.1827
Echinococcus granulosus microtubule associated protein 2 0.0833 0.6746 1
Mycobacterium tuberculosis Probable isocitrate lyase AceAb [second part] (isocitrase) (isocitratase) (Icl) 0.121 1 1
Loa Loa (eye worm) pre-SET domain-containing protein family protein 0.0251 0.1719 0.4043
Mycobacterium tuberculosis Probable isocitrate lyase AceAa [first part] (isocitrase) (isocitratase) (Icl) 0.121 1 1
Echinococcus multilocularis mitogen activated protein kinase 3 0.0062 0.008 0.0081
Plasmodium falciparum non-SERCA-type Ca2+ -transporting P-ATPase 0.0106 0.046 0.5
Trypanosoma brucei tyrosyl-DNA Phosphodiesterase (Tdp1), putative 0.008 0.0237 0.5146
Echinococcus granulosus tyrosyl DNA phosphodiesterase 1 0.008 0.0237 0.0315
Schistosoma mansoni tyrosyl-DNA phosphodiesterase 0.008 0.0237 0.0315
Schistosoma mansoni sex comb on midleg homolog 0.0058 0.0046 0.003
Echinococcus granulosus nervana 2 0.0545 0.4252 0.6289
Brugia malayi calcium ATPase 0.0053 0.0009 0.0046
Trypanosoma brucei vacuolar-type Ca2+-ATPase 2 0.0096 0.0376 0.8167
Leishmania major tyrosyl-DNA phosphodiesterase 1 0.008 0.0237 0.5146
Echinococcus multilocularis sodium:potassium dependent atpase beta subunit 0.045 0.3439 0.508
Loa Loa (eye worm) hypothetical protein 0.0278 0.1948 0.4581
Loa Loa (eye worm) mbt repeat family protein 0.0058 0.0046 0.0108
Echinococcus multilocularis microtubule associated protein 2 0.0833 0.6746 1
Schistosoma mansoni Na+/K+ transporting ATPase subunit alpha 0.0278 0.1948 0.2861
Trichomonas vaginalis CMGC family protein kinase 0.0062 0.008 0.0396
Schistosoma mansoni plasma membrane calcium-transporting atpase 0.0106 0.046 0.0647
Echinococcus granulosus plasma membrane calcium transporting ATPase 2 0.0106 0.046 0.0647
Trichomonas vaginalis plasma membrane calcium-transporting ATPase, putative 0.0096 0.0376 0.1863
Trichomonas vaginalis plasma membrane calcium-transporting ATPase, putative 0.0096 0.0376 0.1863
Schistosoma mansoni sodium/potassium-dependent atpase beta subunit 0.0545 0.4252 0.6289
Onchocerca volvulus 0.0545 0.4252 1
Trichomonas vaginalis plasma membrane calcium-transporting ATPase, putative 0.0096 0.0376 0.1863
Trypanosoma brucei calcium-transporting ATPase, putative 0.0067 0.0129 0.2797
Schistosoma mansoni serine/threonine protein kinase 0.0062 0.008 0.0081
Brugia malayi Glycosyl hydrolases family 31 protein 0.0197 0.1248 0.6405
Trypanosoma cruzi tyrosyl-DNA Phosphodiesterase (Tdp1), putative 0.008 0.0237 0.5146
Giardia lamblia Plasma membrane calcium-transporting ATPase 2 0.0096 0.0376 0.1585
Schistosoma mansoni transmemberane protein 0.0545 0.4252 0.6289
Loa Loa (eye worm) hypothetical protein 0.0186 0.1156 0.2718
Trypanosoma cruzi calcium-transporting ATPase, putative 0.0067 0.0129 0.2797
Loa Loa (eye worm) hypothetical protein 0.0545 0.4252 1
Mycobacterium ulcerans isocitrate lyase AceAb 0.121 1 1
Echinococcus multilocularis nervana 2 0.045 0.3439 0.508
Trichomonas vaginalis set domain proteins, putative 0.0286 0.2019 1
Brugia malayi Pre-SET motif family protein 0.0251 0.1719 0.8825
Toxoplasma gondii sarco/endoplasmic reticulum Ca2+-ATPase 0.0106 0.046 1
Mycobacterium tuberculosis Isocitrate lyase Icl (isocitrase) (isocitratase) 0.121 1 1
Trichomonas vaginalis plasma membrane calcium-transporting ATPase, putative 0.0106 0.046 0.2281
Echinococcus granulosus polycomb protein SCMH1 0.0058 0.0046 0.003
Leishmania major vacuolar-type Ca2 -ATPase, putative 0.0096 0.0376 0.8167
Echinococcus multilocularis nervana 2 0.045 0.3439 0.508
Echinococcus granulosus calcium transporting ATPase type 2C member 0.0106 0.046 0.0647
Trichomonas vaginalis CMGC family protein kinase 0.0062 0.008 0.0396
Echinococcus granulosus mitogen activated protein kinase 3 0.0062 0.008 0.0081
Onchocerca volvulus 0.0114 0.0531 0.1154
Trypanosoma brucei mitogen activated protein kinase 4, putative 0.0062 0.008 0.1735
Brugia malayi E1-E2 ATPase family protein 0.0062 0.0084 0.0433
Echinococcus granulosus mitogen activated protein kinase 0.0062 0.008 0.0081
Schistosoma mansoni sodium / potassium ATPase beta chain 0.045 0.3439 0.508
Brugia malayi Calcium-transporting ATPase sarcoplasmic/endoplasmic reticulum type 0.0106 0.046 0.2364
Plasmodium vivax calcium-transporting ATPase, putative 0.0106 0.046 0.5
Trypanosoma brucei vacuolar-type Ca2+-ATPase 1 0.0096 0.0376 0.8167
Trypanosoma cruzi mitogen-activated protein kinase 11, putative 0.0062 0.008 0.1735
Echinococcus multilocularis nervana 2 0.0545 0.4252 0.6289
Echinococcus granulosus nervana 2 0.045 0.3439 0.508
Echinococcus multilocularis Na+:K+ ATPase alpha subunit 0.0278 0.1948 0.2861
Loa Loa (eye worm) MBCTL1 0.0066 0.0115 0.027
Echinococcus multilocularis lysosomal alpha glucosidase 0.0197 0.1248 0.1819
Echinococcus granulosus Ca2 transporting ATPase plasma membrane 0.0106 0.046 0.0647
Brugia malayi Membrane calcium atpase protein 3 0.0106 0.046 0.2364
Schistosoma mansoni alpha-glucosidase 0.0169 0.1011 0.1467
Entamoeba histolytica plasma membrane calcium ion-transporting ATPase, putative 0.0062 0.0084 0.1672
Trypanosoma brucei vacuolar-type Ca2+-ATPase, putative 0.0096 0.0376 0.8167
Schistosoma mansoni calcium-transporting atpase 2 (atpase 2) 0.0106 0.046 0.0647
Echinococcus granulosus histone acetyltransferase MYST2 0.0066 0.0115 0.0133
Toxoplasma gondii P-type ATPase4, putative 0.0106 0.046 1
Trichomonas vaginalis cation-transporting ATPase, putative 0.0096 0.0376 0.1863
Toxoplasma gondii plasma membrane-type Ca(2+)-ATPase A1 PMCAA1 0.0106 0.046 1
Schistosoma mansoni sex comb on midleg homolog 0.0058 0.0046 0.003
Echinococcus multilocularis histone acetyltransferase MYST2 0.0066 0.0115 0.0133
Loa Loa (eye worm) CMGC/MAPK/ERK1 protein kinase 0.0062 0.008 0.0188
Echinococcus granulosus sodium:potassium dependent atpase beta subunit 0.0545 0.4252 0.6289
Brugia malayi MAP kinase sur-1 0.0062 0.008 0.041
Leishmania major vacuolar-type Ca2 -ATPase, putative 0.0096 0.0376 0.8167
Echinococcus multilocularis endonuclease exonuclease phosphatase 0.0227 0.1509 0.2207
Trypanosoma cruzi plasma membrane Ca2+ ATPase 0.0096 0.0376 0.8167
Schistosoma mansoni plasma membrane calcium-transporting atpase 0.0106 0.046 0.0647
Loa Loa (eye worm) Na,K-ATPase alpha subunit 0.0278 0.1948 0.4581
Trichomonas vaginalis plasma membrane calcium-transporting ATPase, putative 0.0106 0.046 0.2281
Schistosoma mansoni microtubule-associated protein tau 0.0833 0.6746 1
Echinococcus multilocularis Tetracycline resistance leader peptide, TetL 0.0106 0.046 0.0647
Loa Loa (eye worm) sodium/potassium-transporting ATPase subunit alpha 0.0239 0.1616 0.3801
Schistosoma mansoni sodium/potassium-dependent atpase beta subunit 0.0545 0.4252 0.6289
Schistosoma mansoni ATPase 0.0096 0.0376 0.0522
Mycobacterium ulcerans isocitrate lyase Icl 0.121 1 1
Echinococcus multilocularis calcium transporting atpase 0.0106 0.046 0.0647
Giardia lamblia Plasma membrane calcium-transporting ATPase 2 0.0096 0.0376 0.1585
Trypanosoma brucei calcium-translocating P-type ATPase 0.0106 0.046 1
Echinococcus granulosus calcium transporting atpase 0.0106 0.046 0.0647
Onchocerca volvulus 0.0286 0.2019 0.4691
Brugia malayi haloacid dehalogenase-like hydrolase family protein 0.0053 0.0009 0.0046
Leishmania major calcium-translocating P-type ATPase 0.0096 0.0376 0.8167
Trypanosoma brucei calcium motive p-type ATPase, putative 0.0106 0.046 1
Echinococcus granulosus plasma membrane calcium transporting ATPase 0.0106 0.046 0.0647
Plasmodium falciparum calcium-transporting ATPase 0.0106 0.046 0.5
Entamoeba histolytica Plasma membrane calcium-transporting ATPase, putative 0.0096 0.0376 0.8131
Echinococcus granulosus nervana 2 0.0545 0.4252 0.6289
Schistosoma mansoni hypothetical protein 0.035 0.2573 0.379
Echinococcus granulosus endonuclease exonuclease phosphatase 0.0227 0.1509 0.2207
Leishmania major mitogen activated protein kinase, putative,map kinase, putative 0.0062 0.008 0.1735
Trichomonas vaginalis cation-transporting ATPase, putative 0.0096 0.0376 0.1863
Loa Loa (eye worm) GTP-binding regulatory protein Gs alpha-S chain 0.0055 0.0026 0.006
Entamoeba histolytica calcium-transporting P-type ATPase, putative 0.0106 0.046 1
Trypanosoma cruzi mitogen-activated protein kinase 11, putative 0.0062 0.008 0.1735
Echinococcus multilocularis mitogen activated protein kinase 0.0062 0.008 0.0081
Loa Loa (eye worm) hypothetical protein 0.0172 0.1036 0.2437
Trypanosoma cruzi Calcium ATPase SERCA-like 0.0096 0.0376 0.8167
Loa Loa (eye worm) hypothetical protein 0.0096 0.0376 0.0884
Brugia malayi Tyrosyl-DNA phosphodiesterase family protein 0.008 0.0237 0.1216
Entamoeba histolytica tyrosyl-DNA phosphodiesterase, putative 0.008 0.0237 0.505
Toxoplasma gondii calcium-translocating P-type ATPase, PMCA-type protein 0.0096 0.0376 0.8167
Onchocerca volvulus 0.0268 0.1864 0.4321
Trichomonas vaginalis plasma membrane calcium-transporting ATPase, putative 0.0096 0.0376 0.1863
Echinococcus multilocularis sodium:potassium transporting ATPase subunit 0.0545 0.4252 0.6289
Loa Loa (eye worm) calcium-transporting ATPase sarcoplasmic/endoplasmic reticulum type 0.0067 0.0129 0.0303
Loa Loa (eye worm) hypothetical protein 0.0216 0.1412 0.3321
Echinococcus multilocularis lysosomal alpha glucosidase 0.0197 0.1248 0.1819
Loa Loa (eye worm) calcium ATPase 0.0053 0.0009 0.0021
Trypanosoma cruzi mitogen activated protein kinase 2, putative 0.0062 0.008 0.1735
Trypanosoma cruzi plasma membrane Ca2+ ATPase 0.0096 0.0376 0.8167
Brugia malayi mbt repeat family protein 0.0058 0.0046 0.0236
Echinococcus multilocularis SAM and MBT domain containing protein 0.0058 0.0046 0.003
Echinococcus granulosus sodium:potassium dependent atpase beta subunit 0.0545 0.4252 0.6289
Echinococcus multilocularis sarco:endoplasmic reticulum calcium ATPase 0.0096 0.0376 0.0522

Activities

Activity type Activity value Assay description Source Reference
IC50 (functional) 11.574 uM PubChem BioAssay. An HIV-1 Tat-TAR Fluorescence Polarization (FP) Counter Screen to evaluate Inhibitors Targeting HIV-1 Vif-dependent Degradation of Human APOBEC3G. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 0.7943 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 Histone Lysine Methyltransferase G9a. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID504404] ChEMBL. No reference
Potency (functional) = 10 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 (functional) = 12.5893 um PUBCHEM_BIOASSAY: qHTS Assay for the Inhibitors of L3MBTL1. (Class of assay: confirmatory) [Related pubchem assays: 485292 (Probe Development Summary for Inhibitors of L3MBTL1)] ChEMBL. No reference
Potency (functional) = 12.5893 um PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors and Activators of Human alpha-Glucosidase Cleavage of Glycogen. (Class of assay: confirmatory) [Related pubchem assays: 1473, 1466 ] ChEMBL. No reference
Potency (functional) 13.1154 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 (binding) = 15.8489 um PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of Tyrosyl-DNA Phosphodiesterase (TDP1). (Class of assay: confirmatory) ChEMBL. No reference
Potency (binding) = 15.8489 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 (binding) 25.1189 uM PUBCHEM_BIOASSAY: qHTS Assay for Compounds Blocking the Interaction Between CBF-beta and RUNX1 for the Treatment of Acute Myeloid Leukemia. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID1484, AID504370, AID504374, AID504375] ChEMBL. No reference
Potency (functional) = 39.8107 um PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of Aldehyde Dehydrogenase 1 (ALDH1A1). (Class of assay: confirmatory) [Related pubchem assays: 1030 (qHTS Validation Assay for Inhibitors of aldehyde dehydrogenase 1 (ALDH1A1))] ChEMBL. No reference
Potency (functional) = 39.8107 um PUBCHEM_BIOASSAY: qHTS Assay for the Inhibitors of Schistosoma Mansoni Peroxiredoxins. (Class of assay: confirmatory) [Related pubchem assays: 1011 (Confirmation Concentration-Response Assay for Inhibitors of the Schistosoma mansoni Redox Cascade ), 448 (Schistosoma Mansoni Peroxiredoxins (Prx2) and thioredoxin glutathione reductase (TGR) coupled assay)] 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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