Detailed information for compound 1236525

Basic information

Technical information
  • TDR Targets ID: 1236525
  • Name: 1-[3-[5-[(4-chlorophenyl)methylsulfanyl]-1,3, 4-oxadiazol-2-yl]phenyl]sulfonylpiperidine
  • MW: 449.974 | Formula: C20H20ClN3O3S2
  • H donors: 0 H acceptors: 4 LogP: 4.37 Rotable bonds: 6
    Rule of 5 violations (Lipinski): 1
  • SMILES: Clc1ccc(cc1)CSc1nnc(o1)c1cccc(c1)S(=O)(=O)N1CCCCC1
  • InChi: 1S/C20H20ClN3O3S2/c21-17-9-7-15(8-10-17)14-28-20-23-22-19(27-20)16-5-4-6-18(13-16)29(25,26)24-11-2-1-3-12-24/h4-10,13H,1-3,11-12,14H2
  • InChiKey: MIOXIBMYFKDWGM-UHFFFAOYSA-N  


Substructure search Similarity search

Network

Hover on a compound node to display the structore

Synonyms

  • 1-[3-[5-[(4-chlorophenyl)methylthio]-1,3,4-oxadiazol-2-yl]phenyl]sulfonylpiperidine
  • 1-[3-[5-[(4-chlorobenzyl)thio]-1,3,4-oxadiazol-2-yl]phenyl]sulfonylpiperidine
  • T0509-8341
  • MLS000082218
  • SMR000061655
  • ZINC03249073

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Homo sapiens GNAS complex locus Starlite/ChEMBL No references
Homo sapiens geminin, DNA replication inhibitor Starlite/ChEMBL No references
Homo sapiens mitogen-activated protein kinase 1 Starlite/ChEMBL No references
Homo sapiens ATPase family, AAA domain containing 5 Starlite/ChEMBL No references
Rattus norvegicus Inositol monophosphatase 1 Starlite/ChEMBL No references
Homo sapiens nuclear factor, erythroid 2-like 2 Starlite/ChEMBL No references
Homo sapiens thyroid stimulating hormone receptor Starlite/ChEMBL No references
Homo sapiens SMAD family member 2 Starlite/ChEMBL No references

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Trypanosoma brucei protein kinase, putative Get druggable targets OG5_126781 All targets in OG5_126781
Schistosoma japonicum ko:K01092 myo-inositol-1(or 4)-monophosphatase [EC3.1.3.25], putative Get druggable targets OG5_126810 All targets in OG5_126810
Mycobacterium tuberculosis Inositol-1-monophosphatase SuhB Get druggable targets OG5_126810 All targets in OG5_126810
Leishmania infantum mitogen activated protein kinase, putative,map 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
Schistosoma japonicum ko:K04632 guanine nucleotide binding protein (G protein), alpha stimulating, putative Get druggable targets OG5_131088 All targets in OG5_131088
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
Schistosoma japonicum ko:K04371 extracellular signal-regulated kinase 1/2, putative 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 guanine nucleotide binding protein G(s) subunit Get druggable targets OG5_131088 All targets in OG5_131088
Trypanosoma cruzi mitogen activated protein kinase 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
Candida albicans MAP kinase implicated in PKC1-controlled signalling pathway Get druggable targets OG5_126781 All targets in OG5_126781
Trypanosoma cruzi myo-inositol-1(or 4)-monophosphatase 1, putative Get druggable targets OG5_126810 All targets in OG5_126810
Mycobacterium ulcerans extragenic suppressor protein SuhB Get druggable targets OG5_126810 All targets in OG5_126810
Leishmania mexicana mitogen activated protein kinase, putative,map kinase, putative 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
Loa Loa (eye worm) inositol-1 Get druggable targets OG5_126810 All targets in OG5_126810
Trypanosoma brucei gambiense mitogen-activated protein kinase, putative Get druggable targets OG5_126781 All targets in OG5_126781
Brugia malayi follicle stimulating hormone receptor Get druggable targets OG5_130089 All targets in OG5_130089
Leishmania major mitogen activated protein kinase, putative,map kinase, putative Get druggable targets OG5_126781 All targets in OG5_126781
Entamoeba histolytica myo-inositol monophosphatase, putative Get druggable targets OG5_126810 All targets in OG5_126810
Leishmania donovani mitogen activated protein kinase, putative Get druggable targets OG5_126781 All targets in OG5_126781
Trichomonas vaginalis myo inositol monophosphatase, putative Get druggable targets OG5_126810 All targets in OG5_126810
Schistosoma mansoni serine/threonine protein kinase 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 major myo-inositol-1(or 4)-monophosphatase 1, putative Get druggable targets OG5_126810 All targets in OG5_126810
Brugia malayi GTP-binding regulatory protein Gs alpha-S chain, putative Get druggable targets OG5_131088 All targets in OG5_131088
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) MH2 domain-containing protein Get druggable targets OG5_131716 All targets in OG5_131716
Leishmania donovani mitogen-activated protein kinase 4 Get druggable targets OG5_126781 All targets in OG5_126781
Echinococcus granulosus inositol monophosphatase 1 Get druggable targets OG5_126810 All targets in OG5_126810
Neospora caninum hypothetical protein Get druggable targets OG5_126810 All targets in OG5_126810
Candida albicans MAP kinase-like orf 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
Trypanosoma brucei inositol-1(or 4)-monophosphatase 1, putative Get druggable targets OG5_126810 All targets in OG5_126810
Brugia malayi MH2 domain containing protein Get druggable targets OG5_131716 All targets in OG5_131716
Toxoplasma gondii inositol(myo)-1(or 4)-monophosphatase 2, putative Get druggable targets OG5_126810 All targets in OG5_126810
Schistosoma japonicum Mitogen-activated protein kinase 3, 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
Brugia malayi MAP kinase sur-1 Get druggable targets OG5_126781 All targets in OG5_126781
Leishmania infantum myo-inositol-1(or 4)-monophosphatase 1, putative Get druggable targets OG5_126810 All targets in OG5_126810
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
Cryptosporidium parvum MAPK, putative Get druggable targets OG5_126781 All targets in OG5_126781
Trypanosoma cruzi myo-inositol-1(or 4)-monophosphatase 1, putative Get druggable targets OG5_126810 All targets in OG5_126810
Echinococcus granulosus guanine nucleotide binding protein Gs subunit Get druggable targets OG5_131088 All targets in OG5_131088
Leishmania braziliensis myo-inositol-1(or 4)-monophosphatase 1, putative Get druggable targets OG5_126810 All targets in OG5_126810
Leishmania infantum mitogen activated protein kinase 4, putative;with=GeneDB:LmxM19.1440 Get druggable targets OG5_126781 All targets in OG5_126781
Trypanosoma congolense inositol-1(or 4)-monophosphatase 1, putative Get druggable targets OG5_126810 All targets in OG5_126810
Trichomonas vaginalis CMGC family protein kinase Get druggable targets OG5_126781 All targets in OG5_126781
Trypanosoma brucei gambiense inositol-1(or 4)-monophosphatase 1, putative Get druggable targets OG5_126810 All targets in OG5_126810
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 gambiense protein kinase, putative,tyrosine protein kinase, putative Get druggable targets OG5_126781 All targets in OG5_126781
Loa Loa (eye worm) follicle stimulating hormone receptor Get druggable targets OG5_130089 All targets in OG5_130089
Trypanosoma cruzi mitogen activated protein kinase 4, putative Get druggable targets OG5_126781 All targets in OG5_126781
Leishmania donovani myo-inositol-1(or 4)-monophosphatase 1, putative Get druggable targets OG5_126810 All targets in OG5_126810
Loa Loa (eye worm) GTP-binding regulatory protein Gs alpha-S chain 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
Leishmania braziliensis mitogen activated protein kinase, putative,map kinase, putative Get druggable targets OG5_126781 All targets in OG5_126781
Echinococcus multilocularis mitogen activated protein kinase Get druggable targets OG5_126781 All targets in OG5_126781
Echinococcus multilocularis atpase aaa+ type core atpase aaa type core Get druggable targets OG5_139225 All targets in OG5_139225
Leishmania mexicana myo-inositol-1(or 4)-monophosphatase 1, putative Get druggable targets OG5_126810 All targets in OG5_126810
Schistosoma japonicum Mitogen-activated protein kinase 3, putative Get druggable targets OG5_126781 All targets in OG5_126781
Wolbachia endosymbiont of Brugia malayi fructose-1,6-bisphosphatase Get druggable targets OG5_126810 All targets in OG5_126810
Trichomonas vaginalis CMGC family protein kinase 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
Brugia malayi Inositol-1 Get druggable targets OG5_126810 All targets in OG5_126810
Schistosoma mansoni inositol monophosphatase Get druggable targets OG5_126810 All targets in OG5_126810
Loa Loa (eye worm) CMGC/MAPK/ERK1 protein kinase Get druggable targets OG5_126781 All targets in OG5_126781
Echinococcus multilocularis inositol monophosphatase 1 Get druggable targets OG5_126810 All targets in OG5_126810
Cryptosporidium hominis MAPK Get druggable targets OG5_126781 All targets in OG5_126781
Mycobacterium leprae possible inositol monophosphatase SubH (IMPase) (inositol-1-phosphatase) (I-1-Pase ). Get druggable targets OG5_126810 All targets in OG5_126810
Trichomonas vaginalis inositol monophosphatase, putative Get druggable targets OG5_126810 All targets in OG5_126810
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit Get druggable targets OG5_131088 All targets in OG5_131088
Trichomonas vaginalis myo inositol monophosphatase, putative Get druggable targets OG5_126810 All targets in OG5_126810
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
Loa Loa (eye worm) transcription factor SMAD2 Get druggable targets OG5_131716 All targets in OG5_131716
Schistosoma mansoni inositol monophosphatase Get druggable targets OG5_126810 All targets in OG5_126810
Trichomonas vaginalis CMGC family protein kinase 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
Trichomonas vaginalis CMGC family protein kinase 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 cruzi mitogen-activated protein kinase 11, putative 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
Trichomonas vaginalis diphosphonucleoside phosphohydrolase, putative Inositol monophosphatase 1   277 aa 263 aa 21.7 %
Brugia malayi Inositol monophosphatase family protein Inositol monophosphatase 1   277 aa 238 aa 21.8 %
Candida albicans one of two closely related genes similar to S. cerevisiae MET22/HAL2 (YOL064C) bisphosphate-3'-nucleotidase, implicated in salt Inositol monophosphatase 1   277 aa 307 aa 22.5 %
Entamoeba histolytica 3(2),5-bisphosphate nucleotidase, putative Inositol monophosphatase 1   277 aa 287 aa 22.3 %
Onchocerca volvulus Putative trans-2-enoyl-CoA reductase 1, mitochondrial Inositol monophosphatase 1   277 aa 278 aa 23.0 %
Trypanosoma cruzi inositol polyphosphate 1-phosphatase, putative Inositol monophosphatase 1   277 aa 291 aa 23.7 %
Trypanosoma congolense inositol-1(or 4)-monophosphatase, putative Inositol monophosphatase 1   277 aa 304 aa 28.9 %
Trichomonas vaginalis inositol monophosphatase, putative Inositol monophosphatase 1   277 aa 258 aa 21.7 %
Onchocerca volvulus Putative 28S ribosomal protein S10, mitochondrial Inositol monophosphatase 1   277 aa 271 aa 46.1 %
Loa Loa (eye worm) hypothetical protein Inositol monophosphatase 1   277 aa 298 aa 23.8 %
Schistosoma mansoni pap-inositol-14-phosphatase Inositol monophosphatase 1   277 aa 279 aa 22.9 %
Dictyostelium discoideum 3',5'-bisphosphate nucleotidase 1 Inositol monophosphatase 1   277 aa 275 aa 22.2 %
Schistosoma mansoni GTP-binding protein alpha subunit gna GNAS complex locus 394 aa 450 aa 28.7 %
Schistosoma japonicum ko:K01082 3'(2'), 5'-bisphosphate nucleotidase [EC3.1.3.7], putative Inositol monophosphatase 1   277 aa 275 aa 21.5 %
Candida albicans one of two closely related genes similar to S. cerevisiae MET22/HAL2 (YOL064C) bisphosphate-3'-nucleotidase, implicated in salt Inositol monophosphatase 1   277 aa 306 aa 22.5 %
Trypanosoma brucei mitogen-activated protein kinase 5 mitogen-activated protein kinase 1 360 aa 361 aa 33.2 %
Brugia malayi Hypothetical 65.5 kDa Trp-Asp repeats containing protein F02E8.5 inchromosome X geminin, DNA replication inhibitor 209 aa 176 aa 27.8 %
Trypanosoma cruzi myo-inositol-1 phosphatase, putative Inositol monophosphatase 1   277 aa 284 aa 30.6 %
Trypanosoma brucei inositol-1(or 4)-monophosphatase, putative Inositol monophosphatase 1   277 aa 304 aa 27.3 %
Onchocerca volvulus Inositol monophosphatase 1   277 aa 238 aa 22.7 %
Brugia malayi MH2 domain containing protein SMAD family member 2 467 aa 405 aa 31.6 %
Trichomonas vaginalis inositol monophosphatase, putative Inositol monophosphatase 1   277 aa 268 aa 22.4 %
Entamoeba histolytica 3(2),5-bisphosphate nucleotidase, putative Inositol monophosphatase 1   277 aa 263 aa 24.0 %
Dictyostelium discoideum 3',5'-bisphosphate nucleotidase Inositol monophosphatase 1   277 aa 230 aa 25.2 %
Candida albicans one of two closely related genes similar to S. cerevisiae MET22/HAL2 (YOL064C) bisphosphate-3'-nucleotidase, implicated in salt Inositol monophosphatase 1   277 aa 300 aa 22.0 %
Trypanosoma brucei gambiense inositol-1(or 4)-monophosphatase, putative Inositol monophosphatase 1   277 aa 309 aa 27.8 %
Trichomonas vaginalis myo inositol monophosphatase, putative Inositol monophosphatase 1   277 aa 276 aa 21.4 %
Obtained from network model

Ranking Plot

Putative Targets List

Species Potential target Raw Global Species
Schistosoma mansoni subfamily A1A unassigned peptidase (A01 family) 0.0039 0.0079 0.0079
Echinococcus multilocularis mitogen activated protein kinase 0.0062 0.0142 0.0533
Loa Loa (eye worm) aspartic protease BmAsp-2 0.0039 0.0079 0.1064
Plasmodium vivax aspartyl protease, putative 0.0039 0.0079 1
Schistosoma mansoni subfamily A1A unassigned peptidase (A01 family) 0.0039 0.0079 0.0079
Brugia malayi hypothetical protein 0.0039 0.0079 0.1064
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0055 0.0125 0.2331
Brugia malayi hypothetical protein 0.0043 0.0092 0.1246
Trypanosoma cruzi mitogen-activated protein kinase 11, putative 0.0062 0.0142 0.0266
Trypanosoma brucei inositol-1(or 4)-monophosphatase 1, putative 0.0045 0.0095 0.0158
Brugia malayi hypothetical protein 0.0039 0.0079 0.1064
Schistosoma mansoni hypothetical protein 0.0205 0.0535 0.0535
Echinococcus granulosus NEDD8 activating enzyme E1 catalytic subunit 0.0065 0.015 0.2813
Brugia malayi aspartic protease BmAsp-1, identical 0.0039 0.0079 0.1064
Plasmodium vivax plasmepsin V, putative 0.0039 0.0079 1
Giardia lamblia Kinase, CMGC MAPK 0.0062 0.0142 0.5
Wolbachia endosymbiont of Brugia malayi fructose-1,6-bisphosphatase 0.0045 0.0095 0.5
Plasmodium vivax plasmepsin IV, putative 0.0039 0.0079 1
Schistosoma mansoni transcription factor LCR-F1 0.0043 0.0092 0.0092
Schistosoma mansoni subfamily A1A unassigned peptidase (A01 family) 0.0039 0.0079 0.0079
Schistosoma mansoni inositol monophosphatase 0.0045 0.0095 0.0095
Trichomonas vaginalis CMGC family protein kinase 0.0062 0.0142 0.0266
Plasmodium falciparum plasmepsin IX 0.0039 0.0079 1
Mycobacterium leprae possible inositol monophosphatase SubH (IMPase) (inositol-1-phosphatase) (I-1-Pase ). 0.004 0.0083 0.5
Loa Loa (eye worm) hypothetical protein 0.0039 0.0079 0.1064
Loa Loa (eye worm) follicle stimulating hormone receptor 0.028 0.0741 1
Schistosoma mansoni subfamily A1A unassigned peptidase (A01 family) 0.0039 0.0079 0.0079
Plasmodium vivax aspartyl proteinase, putative 0.0039 0.0079 1
Schistosoma mansoni subfamily A1A unassigned peptidase (A01 family) 0.0039 0.0079 0.0079
Plasmodium falciparum plasmepsin VII 0.0039 0.0079 1
Loa Loa (eye worm) hypothetical protein 0.0039 0.0079 0.1064
Trypanosoma brucei nucleoside 2-deoxyribosyltransferase 0.1581 0.4315 1
Brugia malayi Inositol-1 0.0045 0.0095 0.1289
Schistosoma mansoni inositol monophosphatase 0.0045 0.0095 0.0095
Trichomonas vaginalis ubiquitin-activating enzyme E1, putative 0.0047 0.0101 0.017
Brugia malayi Pepsin A precursor 0.0039 0.0079 0.1064
Trypanosoma cruzi mitogen activated protein kinase 4, putative 0.0062 0.0142 0.0266
Schistosoma mansoni subfamily A1A unassigned peptidase (A01 family) 0.0039 0.0079 0.0079
Mycobacterium ulcerans extragenic suppressor protein SuhB 0.0045 0.0095 0.5
Echinococcus granulosus geminin 0.0205 0.0535 1
Echinococcus granulosus inositol monophosphatase 1 0.0045 0.0095 0.1785
Brugia malayi MAP kinase sur-1 0.0062 0.0142 0.1916
Brugia malayi follicle stimulating hormone receptor 0.028 0.0741 1
Loa Loa (eye worm) ectopic membrane ruffles in embryo protein 1 0.0065 0.015 0.2031
Plasmodium falciparum plasmepsin II 0.0039 0.0079 1
Leishmania major mitogen activated protein kinase 4, putative;with=GeneDB:LmxM19.1440 0.0062 0.0142 0.0266
Loa Loa (eye worm) transcription factor SMAD2 0.0144 0.0369 0.4978
Schistosoma mansoni memapsin-2 (A01 family) 0.0039 0.0079 0.0079
Schistosoma mansoni subfamily A1A unassigned peptidase (A01 family) 0.0039 0.0079 0.0079
Echinococcus multilocularis inositol monophosphatase 1 0.0045 0.0095 0.0359
Leishmania major mitogen activated protein kinase, putative,map kinase, putative 0.0062 0.0142 0.0266
Loa Loa (eye worm) hypothetical protein 0.0039 0.0079 0.1064
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0055 0.0125 0.0468
Toxoplasma gondii inositol(myo)-1(or 4)-monophosphatase 2, putative 0.0045 0.0095 0.2325
Trypanosoma brucei mitogen activated protein kinase 4, putative 0.0062 0.0142 0.0266
Echinococcus granulosus Basic leucine zipper bZIP transcription 0.0043 0.0092 0.1726
Brugia malayi Ectopic membrane ruffles in embryo protein 1 0.0065 0.015 0.2031
Echinococcus granulosus mitogen activated protein kinase 3 0.0062 0.0142 0.2654
Echinococcus multilocularis NEDD8 activating enzyme E1 catalytic subunit 0.0065 0.015 0.0565
Entamoeba histolytica myo-inositol monophosphatase, putative 0.0045 0.0095 0.0546
Plasmodium vivax aspartyl protease, putative 0.0039 0.0079 1
Trypanosoma cruzi hypothetical protein, conserved 0.1581 0.4315 1
Trypanosoma brucei protein kinase, putative 0.0062 0.0142 0.0266
Plasmodium vivax aspartyl proteinase, putative 0.0039 0.0079 1
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0055 0.0125 0.0125
Schistosoma mansoni hypothetical protein 0.0043 0.0092 0.0092
Echinococcus multilocularis cathepsin d (lysosomal aspartyl protease) 0.0039 0.0079 0.0296
Leishmania major myo-inositol-1(or 4)-monophosphatase 1, putative 0.0045 0.0095 0.0158
Schistosoma mansoni ubiquitin-activating enzyme E1C 0.0065 0.015 0.015
Echinococcus granulosus mitogen activated protein kinase 0.0062 0.0142 0.2654
Plasmodium falciparum plasmepsin III 0.0039 0.0079 1
Loa Loa (eye worm) MH2 domain-containing protein 0.0144 0.0369 0.4978
Mycobacterium tuberculosis Inositol-1-monophosphatase SuhB 0.004 0.0083 0.5
Echinococcus granulosus cathepsin d lysosomal aspartyl protease 0.0039 0.0079 0.1474
Toxoplasma gondii CMGC kinase, MAPK family (ERK) MAPK-1 0.0062 0.0142 0.8814
Schistosoma mansoni family A2 unassigned peptidase (A02 family) 0.0664 0.1796 0.1796
Brugia malayi Eukaryotic aspartyl protease family protein 0.0039 0.0079 0.1064
Brugia malayi GTP-binding regulatory protein Gs alpha-S chain, putative 0.0055 0.0125 0.1683
Brugia malayi MH2 domain containing protein 0.0144 0.0369 0.4978
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0055 0.0125 0.0468
Brugia malayi aspartic protease BmAsp-2, identical 0.0039 0.0079 0.1064
Plasmodium falciparum plasmepsin X 0.0039 0.0079 1
Entamoeba histolytica ubiquitin-activating enzyme, putative 0.0065 0.015 1
Leishmania major hypothetical protein, conserved 0.1581 0.4315 1
Loa Loa (eye worm) GTP-binding regulatory protein Gs alpha-S chain 0.0055 0.0125 0.1683
Loa Loa (eye worm) inositol-1 0.0045 0.0095 0.1289
Schistosoma mansoni subfamily A1A unassigned peptidase (A01 family) 0.0039 0.0079 0.0079
Plasmodium vivax aspartyl protease, putative 0.0039 0.0079 1
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0055 0.0125 0.2331
Trichomonas vaginalis CMGC family protein kinase 0.0062 0.0142 0.0266
Onchocerca volvulus 0.0039 0.0079 0.5
Plasmodium falciparum plasmepsin IV 0.0039 0.0079 1
Trypanosoma cruzi myo-inositol-1(or 4)-monophosphatase 1, putative 0.0045 0.0095 0.0158
Schistosoma mansoni subfamily A1A unassigned peptidase (A01 family) 0.0039 0.0079 0.0079
Trichomonas vaginalis conserved hypothetical protein 0.1581 0.4315 1
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0055 0.0125 0.0125
Trypanosoma cruzi hypothetical protein 0.1581 0.4315 1
Trypanosoma cruzi hypothetical protein, conserved 0.1581 0.4315 1
Trichomonas vaginalis inositol monophosphatase, putative 0.0045 0.0095 0.0158
Echinococcus multilocularis geminin 0.0205 0.0535 0.201
Plasmodium falciparum plasmepsin V 0.0039 0.0079 1
Echinococcus multilocularis mitogen activated protein kinase 3 0.0062 0.0142 0.0533
Schistosoma mansoni cathepsin D (A01 family) 0.0039 0.0079 0.0079
Schistosoma mansoni cathepsin D (A01 family) 0.0039 0.0079 0.0079
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0055 0.0125 0.0125
Schistosoma mansoni hypothetical protein 0.0205 0.0535 0.0535
Plasmodium falciparum plasmepsin VIII, putative 0.0039 0.0079 1
Echinococcus multilocularis atpase aaa+ type core atpase aaa type core 0.0979 0.2662 1
Plasmodium falciparum plasmepsin VI 0.0039 0.0079 1
Schistosoma mansoni serine/threonine protein kinase 0.0062 0.0142 0.0142
Trichomonas vaginalis myo inositol monophosphatase, putative 0.0045 0.0095 0.0158
Trichomonas vaginalis CMGC family protein kinase 0.0062 0.0142 0.0266
Onchocerca volvulus 0.0039 0.0079 0.5
Trypanosoma cruzi hypothetical protein, conserved 0.1581 0.4315 1
Trichomonas vaginalis CMGC family protein kinase 0.0062 0.0142 0.0266
Loa Loa (eye worm) aspartyl protease 6 0.0039 0.0079 0.1064
Trypanosoma cruzi hypothetical protein 0.1581 0.4315 1
Toxoplasma gondii NEDD8-activating enzyme E1 catalytic subunit 0.0065 0.015 1
Loa Loa (eye worm) CMGC/MAPK/ERK1 protein kinase 0.0062 0.0142 0.1916
Trichomonas vaginalis Clan AA, family A1, cathepsin D-like aspartic peptidase 0.0039 0.0079 0.0119
Echinococcus multilocularis Basic leucine zipper (bZIP) transcription 0.0043 0.0092 0.0347
Trypanosoma cruzi mitogen-activated protein kinase 11, putative 0.0062 0.0142 0.0266
Plasmodium falciparum plasmepsin I 0.0039 0.0079 1
Trichomonas vaginalis myo inositol monophosphatase, putative 0.0045 0.0095 0.0158
Trypanosoma cruzi myo-inositol-1(or 4)-monophosphatase 1, putative 0.0045 0.0095 0.0158
Trypanosoma cruzi mitogen activated protein kinase 2, putative 0.0062 0.0142 0.0266
Loa Loa (eye worm) aspartic protease BmAsp-1 0.0039 0.0079 0.1064

Activities

Activity type Activity value Assay description Source Reference
Potency (functional) 0.5623 uM PUBCHEM_BIOASSAY: qHTS for Inhibitors of TGF-b. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID588856, AID588860] ChEMBL. No reference
Potency (functional) 1 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) = 3.9811 um PUBCHEM_BIOASSAY: qHTS Assay for Agonists of the Thyroid Stimulating Hormone Receptor. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) = 3.9811 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) 6.5131 uM PubChem BioAssay. A quantitative high throughput screen for small molecules that induce DNA re-replication in MCF 10a normal breast cells. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) = 12.5893 um PUBCHEM_BIOASSAY: qHTS Assay for Identifying the Cell-Membrane Permeable IMPase Inhibitors: Potentiation with Lithium. (Class of assay: confirmatory) [Related pubchem assays: 901 ] ChEMBL. No reference
Potency (functional) 12.9953 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) 14.581 uM PUBCHEM_BIOASSAY: Nrf2 qHTS screen for inhibitors. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID493153, AID493163, AID504648] ChEMBL. No reference
Potency (functional) = 19.9526 um PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of the ERK Signaling Pathway using a Homogeneous Screening Assay. (Class of assay: confirmatory) ChEMBL. No reference

Phenotypes

Whole-cell/tissue/organism interactions

We have no records of whole-cell/tissue assays done with this compound What does this mean?

Many chemical entities in TDR Targets come from high-throughput screenings with whole cells or tissue samples, and not all assayed compounds have been tested against a single a single target protein, probably because they get ruled out during screening process. Even if these compounds may have not been of interest in the original screening, they may come as interesting leads for other screening assays. Furthermore, we may be able to propose drug-target associations using chemical similarities and network patterns.

Annotated phenotypes:

We have no manually annotated phenotypes for this drug. What does this mean? / Care to help?
In TDR Targets, information about phenotypes that are caused by drugs, or by genetic manipulation of cells (e.g. gene knockouts or knockdowns) is manually curated from the literature. These descriptions help to describe the potential of the target for drug development. If no information is available for this gene or if the information is incomplete, this may mean that i) the papers containing this information either appeared after the curation effort for this organism was carried out or they were inadvertently missed by curators; or that ii) the curation effort for this organism has not yet started.
 
In any case, if you have information about papers containing relevant validation data for this target, please log in using your TDR Targets username and password and send them to us using the corresponding form in this page (only visible to registered users) or contact us.

External resources for this compound

Bibliographic References

No literature references available for this target.

If you have references for this compound, please enter them in a user comment (below) or Contact us.