Detailed information for compound 1273869

Basic information

Technical information
  • TDR Targets ID: 1273869
  • Name: 1-(2,1,3-benzothiadiazol-7-ylsulfonyl)-N-(oxo lan-2-ylmethyl)piperidine-3-carboxamide
  • MW: 410.511 | Formula: C17H22N4O4S2
  • H donors: 1 H acceptors: 5 LogP: 1.12 Rotable bonds: 6
    Rule of 5 violations (Lipinski): 1
  • SMILES: O=C(C1CCCN(C1)S(=O)(=O)c1cccc2c1nsn2)NCC1CCCO1
  • InChi: 1S/C17H22N4O4S2/c22-17(18-10-13-5-3-9-25-13)12-4-2-8-21(11-12)27(23,24)15-7-1-6-14-16(15)20-26-19-14/h1,6-7,12-13H,2-5,8-11H2,(H,18,22)
  • InChiKey: SQBVTFFFGOTIJJ-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

  • 1-(2,1,3-benzothiadiazol-7-ylsulfonyl)-N-(tetrahydrofuran-2-ylmethyl)piperidine-3-carboxamide
  • 1-(2,1,3-benzothiadiazol-7-ylsulfonyl)-N-(2-tetrahydrofuranylmethyl)-3-piperidinecarboxamide
  • 1-piazthiol-4-ylsulfonyl-N-(tetrahydrofurfuryl)nipecotamide
  • 1-(2,1,3-benzothiadiazol-4-ylsulfonyl)-N-(tetrahydrofuran-2-ylmethyl)piperidine-3-carboxamide
  • MLS000045206
  • SMR000026798
  • EU-0026258

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Homo sapiens mitogen-activated protein kinase 1 Starlite/ChEMBL No references
Bacillus anthracis Anthrax lethal factor Starlite/ChEMBL No references
Homo sapiens muscleblind-like splicing regulator 1 Starlite/ChEMBL No references
Homo sapiens hydroxysteroid (17-beta) dehydrogenase 10 Starlite/ChEMBL No references

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Trypanosoma cruzi mitogen-activated protein kinase 11, putative Get druggable targets OG5_126781 All targets in OG5_126781
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_132352 All targets in OG5_132352
Leishmania donovani mitogen activated protein kinase, putative Get druggable targets OG5_126781 All targets in OG5_126781
Mycobacterium tuberculosis Probable short-chain type dehydrogenase/reductase Get druggable targets OG5_129031 All targets in OG5_129031
Candida albicans MAP kinase-like orf 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 mitogen activated protein kinase 3 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
Giardia lamblia Kinase, CMGC MAPK Get druggable targets OG5_126781 All targets in OG5_126781
Echinococcus multilocularis muscleblind protein Get druggable targets OG5_132352 All targets in OG5_132352
Echinococcus multilocularis mitogen activated 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
Trichomonas vaginalis CMGC family protein kinase 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
Trichomonas vaginalis CMGC family protein kinase Get druggable targets OG5_126781 All targets in OG5_126781
Echinococcus granulosus 3 hydroxyacyl coenzyme A dehydrogenase type 2 Get druggable targets OG5_129031 All targets in OG5_129031
Trypanosoma brucei gambiense protein kinase, putative,tyrosine protein 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
Mycobacterium ulcerans short-chain type dehydrogenase/reductase Get druggable targets OG5_129031 All targets in OG5_129031
Candida albicans Serine/threonine protein kinase of MAP kinase family 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
Leishmania mexicana mitogen-activated protein kinase 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
Leishmania braziliensis 3-oxoacyl-(acyl-carrier protein) reductase, putative Get druggable targets OG5_129031 All targets in OG5_129031
Brugia malayi Muscleblind-like protein Get druggable targets OG5_132352 All targets in OG5_132352
Candida albicans Serine/threonine protein kinase of MAP kinase family 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
Schistosoma japonicum Mitogen-activated protein kinase 3, putative Get druggable targets OG5_126781 All targets in OG5_126781
Cryptosporidium hominis scully CG7113-PA Get druggable targets OG5_129031 All targets in OG5_129031
Trichomonas vaginalis CMGC family 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
Leishmania mexicana 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
Schistosoma japonicum Mitogen-activated protein kinase 3, putative 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) CMGC/MAPK/ERK1 protein kinase Get druggable targets OG5_126781 All targets in OG5_126781
Trypanosoma cruzi mitogen activated protein kinase 4, putative Get druggable targets OG5_126781 All targets in OG5_126781
Echinococcus multilocularis muscleblind protein 1 Get druggable targets OG5_132352 All targets in OG5_132352
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_132352 All targets in OG5_132352
Trypanosoma cruzi mitogen activated protein kinase 2, putative Get druggable targets OG5_126781 All targets in OG5_126781
Mycobacterium ulcerans short-chain type dehydrogenase/reductase Get druggable targets OG5_129031 All targets in OG5_129031
Trypanosoma brucei mitogen activated protein kinase 4, putative Get druggable targets OG5_126781 All targets in OG5_126781
Cryptosporidium parvum scully CG7113-PA, putative Get druggable targets OG5_129031 All targets in OG5_129031
Leishmania major 3-oxoacyl-(acyl-carrier protein) reductase, putative Get druggable targets OG5_129031 All targets in OG5_129031
Trichomonas vaginalis CMGC family protein kinase Get druggable targets OG5_126781 All targets in OG5_126781
Cryptosporidium hominis MAPK 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
Toxoplasma gondii CMGC kinase, MAPK family (ERK) MAPK-1 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
Schistosoma japonicum ko:K00022 3-hydroxyacyl-CoA dehydrogenase [EC1.1.1.35], putative Get druggable targets OG5_129031 All targets in OG5_129031
Brugia malayi 3-hydroxyacyl-CoA dehydrogenase type II Get druggable targets OG5_129031 All targets in OG5_129031
Leishmania major mitogen activated protein kinase, putative,map kinase, putative Get druggable targets OG5_126781 All targets in OG5_126781
Echinococcus multilocularis 3 hydroxyacyl coenzyme A dehydrogenase type 2 Get druggable targets OG5_129031 All targets in OG5_129031
Trypanosoma cruzi mitogen-activated protein kinase 11, 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
Trypanosoma congolense tyrosine protein kinase, putative Get druggable targets OG5_126781 All targets in OG5_126781
Leishmania mexicana 3-oxoacyl-(acyl-carrier protein) reductase, putative Get druggable targets OG5_129031 All targets in OG5_129031
Schistosoma mansoni 3-hydroxyacyl-CoA dehydrogenase Get druggable targets OG5_129031 All targets in OG5_129031
Leishmania donovani mitogen-activated protein kinase 4 Get druggable targets OG5_126781 All targets in OG5_126781
Loa Loa (eye worm) 3-hydroxyacyl-CoA dehydrogenase type II Get druggable targets OG5_129031 All targets in OG5_129031
Leishmania donovani 3-oxoacyl-(acyl-carrier protein) reductase, putative Get druggable targets OG5_129031 All targets in OG5_129031
Candida albicans MAP kinase-like orf Get druggable targets OG5_126781 All targets in OG5_126781
Echinococcus granulosus muscleblind protein Get druggable targets OG5_132352 All targets in OG5_132352
Leishmania infantum 3-oxoacyl-(acyl-carrier protein) reductase, putative Get druggable targets OG5_129031 All targets in OG5_129031
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 %
Plasmodium falciparum 3-oxoacyl-[acyl-carrier-protein] reductase hydroxysteroid (17-beta) dehydrogenase 10 252 aa 251 aa 24.7 %
Obtained from network model

Ranking Plot

Putative Targets List

Species Potential target Raw Global Species
Brugia malayi 3-hydroxyacyl-CoA dehydrogenase type II 0.0069 0.0204 0.3458
Trichomonas vaginalis D-aminoacylase, putative 0.0039 0.0097 0.5487
Brugia malayi Nuclear hormone receptor family member nhr-40 0.0011 0.0001 0.0016
Brugia malayi Receptor family ligand binding region containing protein 0.0011 0.0002 0.0029
Brugia malayi Nuclear hormone receptor family member nhr-1 0.0011 0.0001 0.0016
Echinococcus granulosus FTZ F1 nuclear receptor protein 0.0011 0.0001 0.0016
Trypanosoma cruzi hypothetical protein, conserved 0.0039 0.0097 0.5487
Echinococcus multilocularis sterol regulatory element binding protein 0.0045 0.0121 0.0405
Echinococcus granulosus nuclear receptor 2DBD gamma 0.0011 0.0001 0.0016
Echinococcus multilocularis atpase aaa+ type core atpase aaa type core 0.0868 0.2979 1
Onchocerca volvulus 0.0039 0.0097 1
Loa Loa (eye worm) hypothetical protein 0.0011 0.0001 0.0016
Brugia malayi Nuclear hormone receptor-like 1 0.0011 0.0001 0.0016
Loa Loa (eye worm) receptor family ligand binding region containing protein 0.0011 0.0002 0.0029
Loa Loa (eye worm) nuclear hormone receptor family member nhr-31 0.0011 0.0001 0.0016
Trypanosoma cruzi mitogen-activated protein kinase 11, putative 0.0062 0.0177 1
Echinococcus multilocularis mitogen activated protein kinase 0.0062 0.0177 0.0595
Echinococcus multilocularis FTZ F1 alpha 0.0011 0.0001 0.0003
Echinococcus granulosus metabotropic glutamate receptor 5 0.0053 0.0148 0.2486
Echinococcus multilocularis muscleblind protein 1 0.018 0.059 0.1982
Echinococcus granulosus 3 hydroxyacyl coenzyme A dehydrogenase type 2 0.0069 0.0204 0.344
Loa Loa (eye worm) steroid hormone receptor 0.0011 0.0001 0.0016
Mycobacterium ulcerans transcriptional regulator 0.2887 1 1
Toxoplasma gondii ATPase, AAA family protein 0.0011 0.00000010339 0.0000058316
Entamoeba histolytica hypothetical protein 0.0038 0.0097 0.2949
Loa Loa (eye worm) hypothetical protein 0.0039 0.0097 0.1648
Onchocerca volvulus Protein ultraspiracle homolog 0.0011 0.0001 0.01
Loa Loa (eye worm) hypothetical protein 0.0039 0.0097 0.1648
Schistosoma mansoni family S12 unassigned peptidase (S12 family) 0.0039 0.0097 0.1639
Mycobacterium ulcerans short-chain type dehydrogenase/reductase 0.0069 0.0204 0.0204
Echinococcus multilocularis muscleblind protein 0.018 0.059 0.1982
Echinococcus granulosus mitogen activated protein kinase 0.0062 0.0177 0.2987
Echinococcus multilocularis thyroid hormone receptor alpha 0.0011 0.0001 0.0003
Trichomonas vaginalis CMGC family protein kinase 0.0062 0.0177 1
Echinococcus granulosus replication factor c subunit 1 0.0011 0.00000010339 0.0000017418
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0049 0.0134 0.2249
Schistosoma mansoni metabotropic glutamate receptor 2 3 (mglur group 2) 0.0049 0.0133 0.2249
Trichomonas vaginalis penicillin-binding protein, putative 0.0039 0.0097 0.5487
Loa Loa (eye worm) hypothetical protein 0.0011 0.0001 0.0016
Trichomonas vaginalis D-aminoacylase, putative 0.0039 0.0097 0.5487
Trichomonas vaginalis esterase, putative 0.0039 0.0097 0.5487
Trichomonas vaginalis chromosome transmission fidelity factor, putative 0.0011 0.00000010339 0.0000058316
Echinococcus multilocularis Basic leucine zipper (bZIP) transcription 0.0038 0.0097 0.0326
Loa Loa (eye worm) nuclear hormone receptor family member nhr-40 0.0011 0.0001 0.0016
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0049 0.0134 0.0448
Loa Loa (eye worm) hypothetical protein 0.0011 0.0001 0.0016
Plasmodium falciparum replication factor C subunit 1, putative 0.0011 0.00000010339 0.5
Schistosoma mansoni nuclear hormone receptor 0.0011 0.0001 0.0016
Leishmania major 3-oxoacyl-(acyl-carrier protein) reductase, putative 0.0069 0.0204 1
Brugia malayi GTP-binding regulatory protein Gs alpha-S chain, putative 0.0049 0.0134 0.2261
Echinococcus granulosus Protein patched homolog 1 0.0045 0.0121 0.203
Loa Loa (eye worm) abnormal chemotaxis protein 14 0.0045 0.0121 0.2041
Brugia malayi Muscleblind-like protein 0.018 0.059 1
Brugia malayi MAP kinase sur-1 0.0062 0.0177 0.3003
Loa Loa (eye worm) 3-hydroxyacyl-CoA dehydrogenase type II 0.0065 0.0188 0.3184
Mycobacterium ulcerans hypothetical protein 0.0039 0.0097 0.0097
Trypanosoma cruzi mitogen activated protein kinase 4, putative 0.0062 0.0177 1
Mycobacterium ulcerans AcrR family transcriptional regulator 0.2887 1 1
Schistosoma mansoni hypothetical protein 0.0044 0.0115 0.1935
Echinococcus multilocularis Niemann Pick C1 protein 0.0105 0.033 0.1106
Entamoeba histolytica hypothetical protein 0.0038 0.0097 0.2949
Schistosoma mansoni patched 1 0.0045 0.0121 0.203
Leishmania major mitogen activated protein kinase, putative,map kinase, putative 0.0062 0.0177 0.7483
Loa Loa (eye worm) hypothetical protein 0.0039 0.0097 0.1648
Echinococcus multilocularis protein patched 0.0045 0.0121 0.0405
Loa Loa (eye worm) nuclear hormone receptor family member nhr-41 0.0011 0.0001 0.0016
Echinococcus granulosus nuclear receptor 2DBD gamma 0.0011 0.0001 0.0016
Onchocerca volvulus 0.0039 0.0097 1
Brugia malayi Nuclear hormone receptor family member nhr-25 0.0011 0.0001 0.0016
Mycobacterium ulcerans beta-lactamase 0.0039 0.0097 0.0097
Trichomonas vaginalis D-aminoacylase, putative 0.0039 0.0097 0.5487
Trichomonas vaginalis replication factor C large subunit, putative 0.0011 0.00000010339 0.0000058316
Echinococcus multilocularis geminin 0.0181 0.0594 0.1992
Schistosoma mansoni hypothetical protein 0.0044 0.0115 0.1935
Schistosoma mansoni hypothetical protein 0.0044 0.0115 0.1935
Trypanosoma cruzi mitogen activated protein kinase 2, putative 0.0062 0.0177 1
Schistosoma mansoni RAR-like nuclear receptor 0.0011 0.0001 0.0016
Echinococcus granulosus FTZ F1 alpha 0.0011 0.0001 0.0016
Brugia malayi Metabotropic glutamate receptor precursor. 0.0043 0.0113 0.1913
Brugia malayi ecdysteroid receptor 0.0011 0.0001 0.0016
Onchocerca volvulus 0.0011 0.0001 0.01
Schistosoma mansoni thyroid hormone receptor 0.0011 0.0001 0.0016
Echinococcus granulosus muscleblind protein 0.018 0.059 0.9948
Echinococcus multilocularis beta LACTamase domain containing family member 0.0039 0.0097 0.0327
Trichomonas vaginalis CMGC family protein kinase 0.0062 0.0177 1
Brugia malayi Nuclear hormone receptor family member nhr-14 0.0011 0.0001 0.0016
Loa Loa (eye worm) CMGC/MAPK/ERK1 protein kinase 0.0062 0.0177 0.3003
Loa Loa (eye worm) hypothetical protein 0.0055 0.0156 0.264
Brugia malayi photoreceptor-specific nuclear receptor 0.0011 0.0001 0.0016
Onchocerca volvulus Steroid hormone receptor family member cnr14 homolog 0.0011 0.0001 0.01
Plasmodium vivax hypothetical protein, conserved 0.0039 0.0097 1
Brugia malayi beta-lactamase 0.0039 0.0097 0.1648
Echinococcus multilocularis Niemann Pick C1 protein 0.0151 0.0487 0.1634
Brugia malayi Ligand-binding domain of nuclear hormone receptor family protein 0.0011 0.0001 0.0016
Loa Loa (eye worm) hypothetical protein 0.0039 0.0097 0.1648
Schistosoma mansoni serine/threonine protein kinase 0.0062 0.0177 0.2987
Loa Loa (eye worm) hypothetical protein 0.018 0.059 1
Schistosoma mansoni metabotropic glutamate receptor 0.0021 0.0036 0.0611
Brugia malayi beta-lactamase family protein 0.0039 0.0097 0.1648
Schistosoma mansoni hypothetical protein 0.0038 0.0097 0.1637
Loa Loa (eye worm) beta-lactamase 0.0039 0.0097 0.1648
Entamoeba histolytica hypothetical protein 0.0038 0.0097 0.2949
Mycobacterium ulcerans fusion of enoyl-CoA hydratase, EchA21 and lipase, LipE 0.0039 0.0097 0.0097
Mycobacterium ulcerans esterase/lipase LipP 0.0039 0.0097 0.0097
Loa Loa (eye worm) nuclear Hormone Receptor family member 0.0011 0.0001 0.0016
Wolbachia endosymbiont of Brugia malayi NAD-dependent DNA ligase, Lig 0.0011 0 0.5
Brugia malayi Nuclear hormone receptor family member nhr-19 0.0011 0.0001 0.0016
Brugia malayi Nuclear hormone receptor family member nhr-49 0.0011 0.0001 0.0016
Schistosoma mansoni hypothetical protein 0.0044 0.0115 0.1935
Schistosoma mansoni retinoid-x-receptor (RXR) 0.0011 0.0001 0.0016
Echinococcus multilocularis protein dispatched 1 0.0052 0.0143 0.0479
Brugia malayi Steroid receptor seven-up type 2 0.0011 0.0001 0.0016
Echinococcus granulosus sterol regulatory element binding protein 0.0045 0.0121 0.203
Schistosoma mansoni Tr4/Tr2 (homologue) 0.0011 0.0001 0.0016
Brugia malayi Hypothetical 52.5 kDa protein ZK945.1 in chromosome II, putative 0.0039 0.0097 0.1648
Loa Loa (eye worm) nuclear hormone receptor family member nhr-1 0.0011 0.0001 0.0016
Brugia malayi steroid hormone receptor 0.0011 0.0001 0.0016
Loa Loa (eye worm) hypothetical protein 0.018 0.059 1
Echinococcus multilocularis FTZ F1 nuclear receptor protein 0.0011 0.0001 0.0003
Loa Loa (eye worm) GTP-binding regulatory protein Gs alpha-S chain 0.0049 0.0134 0.2261
Mycobacterium tuberculosis Probable short-chain type dehydrogenase/reductase 0.0069 0.0204 0.0108
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0049 0.0134 0.2249
Trichomonas vaginalis CMGC family protein kinase 0.0062 0.0177 1
Echinococcus multilocularis Nuclear hormone receptor family member nhr 41 0.0011 0.0001 0.0003
Echinococcus multilocularis expressed conserved protein 0.0099 0.0307 0.1032
Brugia malayi CHE-14 protein 0.0045 0.0121 0.2041
Treponema pallidum DNA ligase (lig) 0.0011 0 0.5
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0049 0.0134 0.2249
Loa Loa (eye worm) beta-LACTamase domain containing family member 0.0039 0.0097 0.1648
Echinococcus multilocularis replication factor c subunit 1 0.0011 0.00000010339 0.00000034704
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0049 0.0134 0.2249
Brugia malayi Niemann-Pick C1 protein precursor 0.0105 0.033 0.5581
Schistosoma mansoni FTZ-F1 nuclear receptor-like protein 0.0011 0.0001 0.0016
Loa Loa (eye worm) hypothetical protein 0.0011 0.0001 0.0016
Loa Loa (eye worm) glutamate receptor 0.0017 0.0022 0.0377
Brugia malayi Nuclear hormone receptor family member nhr-31 0.0011 0.0001 0.0016
Entamoeba histolytica Activator 1 140 kDa subunit, putative 0.0011 0.00000010339 0.0000031374
Trichomonas vaginalis CMGC family protein kinase 0.0062 0.0177 1
Loa Loa (eye worm) hypothetical protein 0.0011 0.0001 0.0016
Brugia malayi Nuclear hormone receptor family member nhr-19 0.0011 0.0001 0.0016
Trichomonas vaginalis penicillin-binding protein, putative 0.0039 0.0097 0.5487
Mycobacterium ulcerans short-chain type dehydrogenase/reductase 0.0069 0.0204 0.0204
Loa Loa (eye worm) hypothetical protein 0.0011 0.0001 0.0016
Loa Loa (eye worm) hypothetical protein 0.0011 0.0002 0.0029
Loa Loa (eye worm) hypothetical protein 0.0039 0.0097 0.1648
Trypanosoma cruzi mitogen-activated protein kinase 11, putative 0.0062 0.0177 1
Echinococcus granulosus geminin 0.0181 0.0594 1
Echinococcus granulosus Niemann Pick C1 protein 0.0151 0.0487 0.8199
Echinococcus granulosus mitogen activated protein kinase 3 0.0062 0.0177 0.2987
Loa Loa (eye worm) glutamate receptor 0.0043 0.0113 0.1913
Loa Loa (eye worm) hypothetical protein 0.0045 0.0121 0.2041
Schistosoma mansoni steroid hormone receptor ad4bp 0.0011 0.0001 0.0016
Chlamydia trachomatis DNA ligase 0.0011 0 0.5
Schistosoma mansoni coup transcription factor 0.0011 0.0001 0.0016
Brugia malayi Nuclear hormone receptor family member nhr-25 0.0011 0.0001 0.0016
Echinococcus granulosus beta LACTamase domain containing family member 0.0039 0.0097 0.1639
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0049 0.0134 0.0448
Brugia malayi nuclear receptor NHR-88 0.0011 0.0001 0.0016
Onchocerca volvulus Bile acid receptor homolog 0.0011 0.0001 0.01
Schistosoma mansoni thyroid hormone receptor 0.0011 0.0001 0.0016
Toxoplasma gondii CMGC kinase, MAPK family (ERK) MAPK-1 0.0062 0.0177 1
Echinococcus granulosus retinoic acid receptor rxr beta a 0.0011 0.0001 0.0016
Brugia malayi Nuclear hormone receptor family member nhr-3 0.0011 0.0001 0.0016
Echinococcus multilocularis nuclear receptor 2DBD gamma 0.0011 0.0001 0.0003
Loa Loa (eye worm) hypothetical protein 0.0105 0.033 0.5581
Brugia malayi metabotropic glutamate receptor subtype 5a (mGluR5a), putative 0.0039 0.0099 0.1675
Trypanosoma brucei protein kinase, putative 0.0062 0.0177 1
Echinococcus multilocularis metabotropic glutamate receptor 2 0.0036 0.0089 0.0298
Loa Loa (eye worm) hypothetical protein 0.0039 0.0097 0.1648
Trichomonas vaginalis chromosome transmission fidelity factor, putative 0.0011 0.00000010339 0.0000058316
Loa Loa (eye worm) hypothetical protein 0.0011 0.0001 0.0016
Leishmania major mitogen activated protein kinase 4, putative;with=GeneDB:LmxM19.1440 0.0062 0.0177 0.7483
Echinococcus granulosus COUP TF:Svp nuclear hormone receptor 0.0011 0.0001 0.0016
Echinococcus multilocularis ecdysone induced protein 78C 0.0011 0.0001 0.0003
Mycobacterium ulcerans TetR family transcriptional regulator 0.2887 1 1
Trichomonas vaginalis conserved hypothetical protein 0.0045 0.0121 0.6797
Schistosoma mansoni transcription factor LCR-F1 0.0038 0.0097 0.1637
Schistosoma mansoni hypothetical protein 0.0181 0.0594 1
Mycobacterium ulcerans lipase LipD 0.0039 0.0097 0.0097
Brugia malayi nuclear hormone receptor 0.0011 0.0001 0.0016
Brugia malayi Ligand-binding domain of nuclear hormone receptor family protein 0.0011 0.0001 0.0016
Entamoeba histolytica hypothetical protein 0.0038 0.0097 0.2949
Echinococcus granulosus metabotropic glutamate receptor 2 0.0036 0.0089 0.1494
Echinococcus multilocularis mitogen activated protein kinase 3 0.0062 0.0177 0.0595
Echinococcus granulosus Nuclear hormone receptor family member nhr 41 0.0011 0.0001 0.0016
Mycobacterium tuberculosis Possible penicillin-binding protein 0.0246 0.0819 0.0729
Mycobacterium tuberculosis Transcriptional regulatory repressor protein (TetR-family) EthR 0.2887 1 1
Echinococcus granulosus ecdysone induced protein 78C 0.0011 0.0001 0.0016
Schistosoma mansoni photoreceptor-specific nuclear receptor related 0.0011 0.0001 0.0016
Echinococcus multilocularis 3 hydroxyacyl coenzyme A dehydrogenase type 2 0.0069 0.0204 0.0685
Mycobacterium leprae conserved hypothetical protein 0.0039 0.0097 0.0097
Trypanosoma brucei hypothetical protein, conserved 0.0039 0.0097 0.5487
Brugia malayi hypothetical protein 0.0038 0.0097 0.1646
Entamoeba histolytica Niemann-Pick C1 protein, putative 0.0105 0.033 1
Echinococcus multilocularis metabotropic glutamate receptor 5 0.0053 0.0148 0.0495
Loa Loa (eye worm) metabotropic GABA-B receptor subtype 2 0.0011 0.0002 0.0029
Brugia malayi metabotropic glutamate receptor type 2 0.0021 0.0036 0.0615
Toxoplasma gondii ABC1 family protein 0.0039 0.0097 0.5487
Echinococcus multilocularis hepatocyte nuclear factor 4 alpha 0.0011 0.0001 0.0003
Loa Loa (eye worm) hypothetical protein 0.0011 0.0001 0.0016
Echinococcus granulosus Basic leucine zipper bZIP transcription 0.0038 0.0097 0.1637
Loa Loa (eye worm) hypothetical protein 0.0053 0.0148 0.2499
Onchocerca volvulus 0.0039 0.0097 1
Schistosoma mansoni niemann-pick C1 (NPC1) 0.0107 0.0335 0.5647
Schistosoma mansoni chromosome transmission fidelity factor 0.0011 0.00000010339 0.0000017418
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0049 0.0134 0.2249
Echinococcus granulosus Niemann Pick C1 protein 0.0105 0.033 0.5552
Brugia malayi beta-lactamase family protein 0.0039 0.0097 0.1648
Schistosoma mansoni family S12 unassigned peptidase (S12 family) 0.0039 0.0097 0.1639
Schistosoma mansoni nuclear receptor 2DBD-gamma 0.0011 0.0001 0.0016
Loa Loa (eye worm) nuclear hormone receptor family member nhr-14 0.0011 0.0001 0.0016
Loa Loa (eye worm) nuclear hormone receptor family member nhr-49 0.0011 0.0001 0.0016
Echinococcus multilocularis COUP TF:Svp nuclear hormone receptor 0.0011 0.0001 0.0003
Schistosoma mansoni retinoic acid receptor RXR 0.0011 0.0001 0.0016
Schistosoma mansoni nuclear hormone receptor nor-1/nor-2 0.0011 0.0001 0.0016
Echinococcus granulosus expressed conserved protein 0.0099 0.0307 0.5178
Mycobacterium leprae Probable lipase LipE 0.0039 0.0097 0.0097
Schistosoma mansoni hypothetical protein 0.0181 0.0594 1
Echinococcus multilocularis nuclear receptor 2DBD gamma 0.0011 0.0001 0.0003
Trypanosoma brucei mitogen activated protein kinase 4, putative 0.0062 0.0177 1
Brugia malayi Nuclear hormone receptor family member nhr-41 0.0011 0.0001 0.0016
Echinococcus granulosus hepatocyte nuclear factor 4 alpha 0.0011 0.0001 0.0016
Trypanosoma cruzi hypothetical protein, conserved 0.0039 0.0097 0.5487
Schistosoma mansoni 3-hydroxyacyl-CoA dehydrogenase 0.0069 0.0204 0.344
Giardia lamblia Kinase, CMGC MAPK 0.0062 0.0177 1
Schistosoma mansoni metabotropic glutamate receptor 0.0036 0.0089 0.1494

Activities

Activity type Activity value Assay description Source Reference
Potency (functional) = 5.0119 um PUBCHEM_BIOASSAY: qHTS Assay for Anthrax Lethal Toxin Internalization. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) = 6.3096 um PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of HADH2 (Hydroxyacyl-Coenzyme A Dehydrogenase, Type II). (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) = 7.9433 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) 17.7828 uM PubChem BioAssay. qHTS Assay for Inhibitors of MBNL1-poly(CUG) RNA binding. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 18.526 uM PUBCHEM_BIOASSAY: Primary qHTS for delayed death inhibitors of the malarial parasite plastid, 96 hour incubation. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID488745, AID488752, AID488774, AID504848, AID504850] ChEMBL. No reference
Potency (functional) = 31.6228 um PUBCHEM_BIOASSAY: qHTS Screen for Compounds that Selectively Target Cancer Cells with p53 Mutations: Cytotoxicity of p53ts Cells at the Permissive Temperature. (Class of assay: confirmatory) [Related pubchem assays: 902 ] ChEMBL. No reference
Potency (functional) = 39.8107 um PUBCHEM_BIOASSAY: qHTS Assay for Agonists of the Thyroid Stimulating Hormone Receptor. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) = 39.8107 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) = 89.1251 um PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of Bacillus subtilis Sfp phosphopantetheinyl transferase (PPTase). (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) 89.1251 uM PUBCHEM_BIOASSAY: qHTS for Inhibitors of Polymerase Iota. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID588623] ChEMBL. No reference
Potency (functional) 112.2018 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

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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