Detailed information for compound 1363501

Basic information

Technical information
  • TDR Targets ID: 1363501
  • Name: 1-[4-[4-(4-methoxyphenyl)piperazin-1-yl]-6-me thyl-1-phenyl-2-sulfanylidenepyrimidin-5-yl]e thanone
  • MW: 434.554 | Formula: C24H26N4O2S
  • H donors: 0 H acceptors: 1 LogP: 3.46 Rotable bonds: 5
    Rule of 5 violations (Lipinski): 1
  • SMILES: COc1ccc(cc1)N1CCN(CC1)c1nc(=S)n(c(c1C(=O)C)C)c1ccccc1
  • InChi: 1S/C24H26N4O2S/c1-17-22(18(2)29)23(25-24(31)28(17)20-7-5-4-6-8-20)27-15-13-26(14-16-27)19-9-11-21(30-3)12-10-19/h4-12H,13-16H2,1-3H3
  • InChiKey: GDPYWRWORXNXDP-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

  • 1-[4-[4-(4-methoxyphenyl)piperazin-1-yl]-6-methyl-1-phenyl-2-thioxo-pyrimidin-5-yl]ethanone
  • 1-[4-[4-(4-methoxyphenyl)-1-piperazinyl]-6-methyl-1-phenyl-2-thioxo-5-pyrimidinyl]ethanone
  • 1-[4-[4-(4-methoxyphenyl)piperazin-1-yl]-6-methyl-1-phenyl-2-sulfanylidene-pyrimidin-5-yl]ethanone
  • 1-{4-[4-(4-methoxyphenyl)-1-piperazinyl]-6-methyl-1-phenyl-2-thioxo-1,2-dihydro-5-pyrimidinyl}ethanone
  • MLS000088873
  • SMR000073047
  • ZINC00987115
  • AJ-292/41812479

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Homo sapiens ubiquitin specific peptidase 2 Starlite/ChEMBL No references
Homo sapiens microtubule-associated protein tau Starlite/ChEMBL No references
Rattus norvegicus Inositol monophosphatase 1 Starlite/ChEMBL No references
Homo sapiens hydroxysteroid (17-beta) dehydrogenase 10 Starlite/ChEMBL No references
Homo sapiens glutaminase Starlite/ChEMBL No references
Homo sapiens mitogen-activated protein kinase 1 Starlite/ChEMBL No references
Homo sapiens arachidonate 15-lipoxygenase Starlite/ChEMBL No references

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Candida albicans Serine/threonine protein kinase of MAP kinase family Get druggable targets OG5_126781 All targets in OG5_126781
Cryptosporidium parvum MAPK, putative Get druggable targets OG5_126781 All targets in OG5_126781
Schistosoma japonicum Mitogen-activated protein kinase 3, putative Get druggable targets OG5_126781 All targets in OG5_126781
Leishmania braziliensis myo-inositol-1(or 4)-monophosphatase 1, putative Get druggable targets OG5_126810 All targets in OG5_126810
Schistosoma japonicum expressed protein Get druggable targets OG5_127431 All targets in OG5_127431
Leishmania mexicana myo-inositol-1(or 4)-monophosphatase 1, putative Get druggable targets OG5_126810 All targets in OG5_126810
Trypanosoma cruzi ubiquitin carboxyl-terminal hydrolase, putative Get druggable targets OG5_127431 All targets in OG5_127431
Leishmania mexicana mitogen activated protein kinase, putative,map kinase, putative 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 granulosus mitogen activated protein kinase 3 Get druggable targets OG5_126781 All targets in OG5_126781
Trichomonas vaginalis Clan CA, family C19, ubiquitin hydrolase-like cysteine peptidase Get druggable targets OG5_127431 All targets in OG5_127431
Trypanosoma brucei gambiense ubiquitin carboxyl-terminal hydrolase, putative,cysteine peptidase, Clan CA, family C19, putative Get druggable targets OG5_127431 All targets in OG5_127431
Schistosoma mansoni ubiquitin-specific peptidase 8 (C19 family) Get druggable targets OG5_127431 All targets in OG5_127431
Brugia malayi Inositol-1 Get druggable targets OG5_126810 All targets in OG5_126810
Trypanosoma cruzi mitogen-activated protein kinase 11, putative 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 major mitogen activated protein kinase, putative,map kinase, putative Get druggable targets OG5_126781 All targets in OG5_126781
Brugia malayi Ubiquitin carboxyl-terminal hydrolase family protein Get druggable targets OG5_127431 All targets in OG5_127431
Trypanosoma congolense ubiquitin carboxyl-terminal hydrolase, putative Get druggable targets OG5_127431 All targets in OG5_127431
Trichomonas vaginalis conserved hypothetical protein Get druggable targets OG5_127431 All targets in OG5_127431
Schistosoma mansoni 3-hydroxyacyl-CoA dehydrogenase Get druggable targets OG5_129031 All targets in OG5_129031
Brugia malayi MAP kinase sur-1 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
Echinococcus granulosus 3 hydroxyacyl coenzyme A dehydrogenase type 2 Get druggable targets OG5_129031 All targets in OG5_129031
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
Trichomonas vaginalis glutaminase, putative Get druggable targets OG5_129245 All targets in OG5_129245
Echinococcus granulosus Peptidase C19 ubiquitin carboxyl terminal hydrolase 2 Get druggable targets OG5_127431 All targets in OG5_127431
Toxoplasma gondii inositol(myo)-1(or 4)-monophosphatase 2, putative Get druggable targets OG5_126810 All targets in OG5_126810
Leishmania major ubiquitin hydrolase, putative,cysteine peptidase, Clan CA, family C19, putative Get druggable targets OG5_127431 All targets in OG5_127431
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
Leishmania braziliensis ubiquitin hydrolase, putative,cysteine peptidase, Clan CA, family C19, putative Get druggable targets OG5_127431 All targets in OG5_127431
Echinococcus granulosus inositol monophosphatase 1 Get druggable targets OG5_126810 All targets in OG5_126810
Echinococcus multilocularis mitogen activated protein kinase 3 Get druggable targets OG5_126781 All targets in OG5_126781
Echinococcus multilocularis ubiquitin carboxyl terminal hydrolase 8 Get druggable targets OG5_127431 All targets in OG5_127431
Mycobacterium leprae possible inositol monophosphatase SubH (IMPase) (inositol-1-phosphatase) (I-1-Pase ). Get druggable targets OG5_126810 All targets in OG5_126810
Trypanosoma brucei ubiquitin carboxyl-terminal hydrolase, putative Get druggable targets OG5_127431 All targets in OG5_127431
Schistosoma mansoni inositol monophosphatase Get druggable targets OG5_126810 All targets in OG5_126810
Leishmania donovani ubiquitin carboxyl-terminal hydrolase, putative Get druggable targets OG5_127431 All targets in OG5_127431
Loa Loa (eye worm) inositol-1 Get druggable targets OG5_126810 All targets in OG5_126810
Trypanosoma cruzi myo-inositol-1(or 4)-monophosphatase 1, putative 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
Mycobacterium tuberculosis Inositol-1-monophosphatase SuhB Get druggable targets OG5_126810 All targets in OG5_126810
Cryptosporidium parvum ubiquitin C-terminal hydrolase of the cysteine proteinase fold Get druggable targets OG5_127431 All targets in OG5_127431
Echinococcus granulosus mitogen activated protein kinase Get druggable targets OG5_126781 All targets in OG5_126781
Neospora caninum hypothetical protein Get druggable targets OG5_126810 All targets in OG5_126810
Leishmania mexicana 3-oxoacyl-(acyl-carrier protein) reductase, putative Get druggable targets OG5_129031 All targets in OG5_129031
Schistosoma japonicum Ubiquitin carboxyl-terminal hydrolase 8, putative Get druggable targets OG5_127431 All targets in OG5_127431
Trichomonas vaginalis inositol monophosphatase, putative Get druggable targets OG5_126810 All targets in OG5_126810
Schistosoma japonicum ko:K04380 microtubule-associated protein tau, putative Get druggable targets OG5_133504 All targets in OG5_133504
Trypanosoma brucei gambiense protein kinase, putative,tyrosine protein kinase, putative Get druggable targets OG5_126781 All targets in OG5_126781
Leishmania mexicana ubiquitin hydrolase, putative,cysteine peptidase, Clan CA, family C19, putative Get druggable targets OG5_127431 All targets in OG5_127431
Entamoeba histolytica ubiquitin carboxyl-terminal hydrolase domain containing protein Get druggable targets OG5_127431 All targets in OG5_127431
Schistosoma japonicum ko:K04371 extracellular signal-regulated kinase 1/2, 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
Schistosoma mansoni serine/threonine protein kinase Get druggable targets OG5_126781 All targets in OG5_126781
Brugia malayi glutaminase DH11.1 Get druggable targets OG5_129245 All targets in OG5_129245
Trypanosoma brucei mitogen activated protein kinase 4, putative 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 japonicum Ubiquitin carboxyl-terminal hydrolase 8, putative Get druggable targets OG5_127431 All targets in OG5_127431
Cryptosporidium hominis scully CG7113-PA Get druggable targets OG5_129031 All targets in OG5_129031
Trypanosoma brucei gambiense inositol-1(or 4)-monophosphatase 1, 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
Trypanosoma congolense inositol-1(or 4)-monophosphatase 1, putative Get druggable targets OG5_126810 All targets in OG5_126810
Schistosoma mansoni glutaminase Get druggable targets OG5_129245 All targets in OG5_129245
Leishmania donovani 3-oxoacyl-(acyl-carrier protein) reductase, putative Get druggable targets OG5_129031 All targets in OG5_129031
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
Leishmania donovani mitogen-activated protein kinase 4 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
Trypanosoma congolense tyrosine protein kinase, putative Get druggable targets OG5_126781 All targets in OG5_126781
Schistosoma mansoni ubiquitin-specific peptidase 2 (C19 family) Get druggable targets OG5_127431 All targets in OG5_127431
Candida albicans ubiquitin-specific protease Get druggable targets OG5_127431 All targets in OG5_127431
Schistosoma japonicum IPR015063,Domain of unknown function DUF1873,domain-containing Get druggable targets OG5_127431 All targets in OG5_127431
Echinococcus multilocularis Peptidase C19, ubiquitin carboxyl terminal hydrolase 2 Get druggable targets OG5_127431 All targets in OG5_127431
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
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 3-oxoacyl-(acyl-carrier protein) reductase, putative Get druggable targets OG5_129031 All targets in OG5_129031
Schistosoma japonicum hypothetical protein Get druggable targets OG5_127431 All targets in OG5_127431
Wolbachia endosymbiont of Brugia malayi fructose-1,6-bisphosphatase 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
Echinococcus multilocularis microtubule associated protein 2 Get druggable targets OG5_133504 All targets in OG5_133504
Trichomonas vaginalis CMGC family protein kinase Get druggable targets OG5_126781 All targets in OG5_126781
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_127431 All targets in OG5_127431
Echinococcus granulosus ubiquitin specific protease 41 Get druggable targets OG5_127431 All targets in OG5_127431
Trichomonas vaginalis Clan CA, family C19, ubiquitin hydrolase-like cysteine peptidase Get druggable targets OG5_127431 All targets in OG5_127431
Schistosoma japonicum Mitogen-activated protein kinase 3, putative Get druggable targets OG5_126781 All targets in OG5_126781
Schistosoma japonicum ko:K01072 ubiquitin thiolesterase [EC3.1.2.15], putative Get druggable targets OG5_127431 All targets in OG5_127431
Leishmania major 3-oxoacyl-(acyl-carrier protein) reductase, putative Get druggable targets OG5_129031 All targets in OG5_129031
Trypanosoma brucei gambiense mitogen-activated protein kinase, 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
Entamoeba histolytica myo-inositol monophosphatase, putative Get druggable targets OG5_126810 All targets in OG5_126810
Trichomonas vaginalis myo inositol monophosphatase, putative Get druggable targets OG5_126810 All targets in OG5_126810
Candida albicans MAP kinase implicated in PKC1-controlled signalling pathway 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
Loa Loa (eye worm) 3-hydroxyacyl-CoA dehydrogenase type II Get druggable targets OG5_129031 All targets in OG5_129031
Leishmania major mitogen activated protein kinase 4, putative;with=GeneDB:LmxM19.1440 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) glutaminase Get druggable targets OG5_129245 All targets in OG5_129245
Leishmania donovani myo-inositol-1(or 4)-monophosphatase 1, putative Get druggable targets OG5_126810 All targets in OG5_126810
Brugia malayi 3-hydroxyacyl-CoA dehydrogenase type II Get druggable targets OG5_129031 All targets in OG5_129031
Mycobacterium ulcerans short-chain type dehydrogenase/reductase Get druggable targets OG5_129031 All targets in OG5_129031
Mycobacterium ulcerans extragenic suppressor protein SuhB Get druggable targets OG5_126810 All targets in OG5_126810
Candida albicans Serine/threonine protein kinase of MAP kinase family Get druggable targets OG5_126781 All targets in OG5_126781
Giardia lamblia Ubiquitin carboxyl-terminal hydrolase 4 Get druggable targets OG5_127431 All targets in OG5_127431
Mycobacterium ulcerans glutaminase Get druggable targets OG5_129245 All targets in OG5_129245
Echinococcus multilocularis ubiquitin specific protease 41 Get druggable targets OG5_127431 All targets in OG5_127431
Mycobacterium ulcerans short-chain type dehydrogenase/reductase Get druggable targets OG5_129031 All targets in OG5_129031
Trypanosoma cruzi mitogen activated protein kinase 2, putative 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
Leishmania infantum ubiquitin hydrolase, putative,cysteine peptidase, Clan CA, family C19, putative Get druggable targets OG5_127431 All targets in OG5_127431
Trypanosoma brucei inositol-1(or 4)-monophosphatase 1, putative Get druggable targets OG5_126810 All targets in OG5_126810
Cryptosporidium hominis ubiquitin specific protease 66 Get druggable targets OG5_127431 All targets in OG5_127431
Leishmania infantum 3-oxoacyl-(acyl-carrier protein) reductase, putative Get druggable targets OG5_129031 All targets in OG5_129031
Leishmania braziliensis mitogen activated protein kinase 4, putative;with=GeneDB:LmxM19.1440,map kinase Get druggable targets OG5_126781 All targets in OG5_126781
Trypanosoma cruzi ubiquitin carboxyl-terminal hydrolase, putative Get druggable targets OG5_127431 All targets in OG5_127431
Schistosoma japonicum ko:K00022 3-hydroxyacyl-CoA dehydrogenase [EC1.1.1.35], putative Get druggable targets OG5_129031 All targets in OG5_129031
Schistosoma mansoni inositol monophosphatase Get druggable targets OG5_126810 All targets in OG5_126810
Loa Loa (eye worm) glutaminase 2 Get druggable targets OG5_129245 All targets in OG5_129245
Schistosoma japonicum IPR001394,Peptidase C19, ubiquitin carboxyl-terminal hydrolase 2,domain-containing Get druggable targets OG5_127431 All targets in OG5_127431
Echinococcus multilocularis inositol monophosphatase 1 Get druggable targets OG5_126810 All targets in OG5_126810
Trypanosoma cruzi myo-inositol-1(or 4)-monophosphatase 1, putative Get druggable targets OG5_126810 All targets in OG5_126810
Trichomonas vaginalis myo inositol monophosphatase, 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
Echinococcus granulosus ubiquitin carboxyl terminal hydrolase 8 Get druggable targets OG5_127431 All targets in OG5_127431
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
Loa Loa (eye worm) CMGC/MAPK/ERK1 protein kinase Get druggable targets OG5_126781 All targets in OG5_126781
By sequence similarity to non orthologous known druggable targets
Species Potential target Known druggable target Length Alignment span Identity
Schistosoma japonicum ko:K01082 3'(2'), 5'-bisphosphate nucleotidase [EC3.1.3.7], putative Inositol monophosphatase 1   277 aa 275 aa 21.5 %
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 306 aa 22.5 %
Trypanosoma cruzi inositol polyphosphate 1-phosphatase, putative Inositol monophosphatase 1   277 aa 291 aa 23.7 %
Brugia malayi Inositol monophosphatase family protein Inositol monophosphatase 1   277 aa 238 aa 21.8 %
Plasmodium falciparum ubiquitin specific protease, putative ubiquitin specific peptidase 2 362 aa 378 aa 25.7 %
Entamoeba histolytica 3(2),5-bisphosphate nucleotidase, putative Inositol monophosphatase 1   277 aa 263 aa 24.0 %
Trypanosoma cruzi myo-inositol-1 phosphatase, putative Inositol monophosphatase 1   277 aa 284 aa 30.6 %
Onchocerca volvulus Putative 28S ribosomal protein S10, mitochondrial Inositol monophosphatase 1   277 aa 271 aa 46.1 %
Plasmodium falciparum 3-oxoacyl-[acyl-carrier-protein] reductase hydroxysteroid (17-beta) dehydrogenase 10 252 aa 251 aa 24.7 %
Trichomonas vaginalis inositol monophosphatase, putative Inositol monophosphatase 1   277 aa 268 aa 22.4 %
Trichomonas vaginalis diphosphonucleoside phosphohydrolase, putative Inositol monophosphatase 1   277 aa 263 aa 21.7 %
Trypanosoma brucei mitogen-activated protein kinase 5 mitogen-activated protein kinase 1 360 aa 361 aa 33.2 %
Trypanosoma brucei inositol-1(or 4)-monophosphatase, putative Inositol monophosphatase 1   277 aa 304 aa 27.3 %
Schistosoma mansoni pap-inositol-14-phosphatase Inositol monophosphatase 1   277 aa 279 aa 22.9 %
Onchocerca volvulus Putative trans-2-enoyl-CoA reductase 1, mitochondrial Inositol monophosphatase 1   277 aa 278 aa 23.0 %
Entamoeba histolytica 3(2),5-bisphosphate nucleotidase, putative Inositol monophosphatase 1   277 aa 287 aa 22.3 %
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 %
Trichomonas vaginalis inositol monophosphatase, putative Inositol monophosphatase 1   277 aa 258 aa 21.7 %
Onchocerca volvulus Inositol monophosphatase 1   277 aa 238 aa 22.7 %
Loa Loa (eye worm) hypothetical protein Inositol monophosphatase 1   277 aa 298 aa 23.8 %
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 %
Echinococcus granulosus arachidonate 5 lipoxygenase arachidonate 15-lipoxygenase 662 aa 590 aa 23.9 %
Trichomonas vaginalis myo inositol monophosphatase, putative Inositol monophosphatase 1   277 aa 276 aa 21.4 %
Trypanosoma brucei gambiense inositol-1(or 4)-monophosphatase, putative Inositol monophosphatase 1   277 aa 309 aa 27.8 %
Trypanosoma congolense inositol-1(or 4)-monophosphatase, putative Inositol monophosphatase 1   277 aa 304 aa 28.9 %
Dictyostelium discoideum 3',5'-bisphosphate nucleotidase 1 Inositol monophosphatase 1   277 aa 275 aa 22.2 %
Obtained from network model

Ranking Plot

Putative Targets List

Species Potential target Raw Global Species
Echinococcus granulosus nuclear receptor 2DBD gamma 0.0053 0.0176 0.0176
Brugia malayi Nuclear hormone receptor-like 1 0.0053 0.0176 0.0302
Echinococcus multilocularis microtubule associated protein 2 0.0833 1 1
Echinococcus multilocularis FTZ F1 nuclear receptor protein 0.0053 0.0176 0.0176
Echinococcus granulosus arachidonate 5 lipoxygenase 0.0067 0.0348 0.0348
Brugia malayi Nuclear hormone receptor family member nhr-41 0.0053 0.0176 0.0302
Schistosoma mansoni coup transcription factor 0.0053 0.0176 0.0176
Mycobacterium leprae possible inositol monophosphatase SubH (IMPase) (inositol-1-phosphatase) (I-1-Pase ). 0.004 0.0011 0.5
Echinococcus multilocularis arachidonate 5 lipoxygenase 0.0067 0.0348 0.0348
Brugia malayi nuclear receptor NHR-88 0.0053 0.0176 0.0302
Loa Loa (eye worm) steroid hormone receptor 0.0053 0.0176 0.0302
Brugia malayi Nuclear hormone receptor family member nhr-25 0.0053 0.0176 0.0302
Mycobacterium tuberculosis Probable short-chain type dehydrogenase/reductase 0.0069 0.0381 1
Loa Loa (eye worm) CMGC/MAPK/ERK1 protein kinase 0.0062 0.0283 0.0486
Trypanosoma brucei protein kinase, putative 0.0062 0.0283 1
Trichomonas vaginalis CMGC family protein kinase 0.0062 0.0283 0.0593
Loa Loa (eye worm) glutaminase 2 0.033 0.3664 0.6292
Echinococcus multilocularis 3 hydroxyacyl coenzyme A dehydrogenase type 2 0.0069 0.0381 0.0381
Echinococcus granulosus mitogen activated protein kinase 3 0.0062 0.0283 0.0283
Brugia malayi steroid hormone receptor 0.0053 0.0176 0.0302
Brugia malayi Nuclear hormone receptor family member nhr-25 0.0053 0.0176 0.0302
Echinococcus multilocularis nuclear receptor 2DBD gamma 0.0053 0.0176 0.0176
Schistosoma mansoni ubiquitin-specific peptidase 8 (C19 family) 0.0045 0.0071 0.0071
Echinococcus multilocularis FTZ F1 alpha 0.0053 0.0176 0.0176
Brugia malayi Ubiquitin carboxyl-terminal hydrolase family protein 0.0045 0.0071 0.0121
Schistosoma mansoni lipoxygenase 0.0067 0.0348 0.0348
Schistosoma mansoni thyroid hormone receptor 0.0053 0.0176 0.0176
Echinococcus granulosus inositol monophosphatase 1 0.0045 0.007 0.007
Brugia malayi Nuclear hormone receptor family member nhr-19 0.0053 0.0176 0.0302
Schistosoma mansoni microtubule-associated protein tau 0.0833 1 1
Loa Loa (eye worm) hypothetical protein 0.0045 0.0071 0.0121
Schistosoma mansoni retinoic acid receptor RXR 0.0053 0.0176 0.0176
Loa Loa (eye worm) hypothetical protein 0.0053 0.0176 0.0302
Brugia malayi ecdysteroid receptor 0.0502 0.5824 1
Echinococcus granulosus Peptidase C19 ubiquitin carboxyl terminal hydrolase 2 0.0045 0.0071 0.0071
Echinococcus multilocularis nuclear receptor 2DBD gamma 0.0053 0.0176 0.0176
Trypanosoma cruzi mitogen-activated protein kinase 11, putative 0.0062 0.0283 1
Schistosoma mansoni thyroid hormone receptor 0.0053 0.0176 0.0176
Echinococcus granulosus hepatocyte nuclear factor 4 alpha 0.0053 0.0176 0.0176
Trichomonas vaginalis CMGC family protein kinase 0.0062 0.0283 0.0593
Onchocerca volvulus Bile acid receptor homolog 0.0502 0.5824 1
Brugia malayi Inositol-1 0.0045 0.007 0.012
Schistosoma mansoni steroid hormone receptor ad4bp 0.0053 0.0176 0.0176
Echinococcus granulosus retinoic acid receptor rxr beta a 0.0053 0.0176 0.0176
Brugia malayi 3-hydroxyacyl-CoA dehydrogenase type II 0.0069 0.0381 0.0653
Echinococcus multilocularis Peptidase C19, ubiquitin carboxyl terminal hydrolase 2 0.0045 0.0071 0.0071
Echinococcus granulosus ubiquitin specific protease 41 0.0045 0.0071 0.0071
Loa Loa (eye worm) nuclear hormone receptor family member nhr-41 0.0053 0.0176 0.0302
Trichomonas vaginalis CMGC family protein kinase 0.0062 0.0283 0.0593
Loa Loa (eye worm) hypothetical protein 0.0053 0.0176 0.0302
Echinococcus multilocularis ubiquitin carboxyl terminal hydrolase 8 0.0045 0.0071 0.0071
Echinococcus granulosus COUP TF:Svp nuclear hormone receptor 0.0053 0.0176 0.0176
Loa Loa (eye worm) hypothetical protein 0.0053 0.0176 0.0302
Loa Loa (eye worm) hypothetical protein 0.0053 0.0176 0.0302
Schistosoma mansoni inositol monophosphatase 0.0045 0.007 0.007
Loa Loa (eye worm) glutaminase 0.033 0.3664 0.6292
Loa Loa (eye worm) nuclear hormone receptor family member nhr-1 0.0053 0.0176 0.0302
Leishmania major 3-oxoacyl-(acyl-carrier protein) reductase, putative 0.0069 0.0381 1
Mycobacterium ulcerans short-chain type dehydrogenase/reductase 0.0069 0.0381 0.0864
Echinococcus multilocularis COUP TF:Svp nuclear hormone receptor 0.0053 0.0176 0.0176
Schistosoma mansoni nuclear hormone receptor nor-1/nor-2 0.0053 0.0176 0.0176
Echinococcus granulosus ubiquitin carboxyl terminal hydrolase 8 0.0045 0.0071 0.0071
Brugia malayi Nuclear hormone receptor family member nhr-49 0.0053 0.0176 0.0302
Schistosoma mansoni photoreceptor-specific nuclear receptor related 0.0053 0.0176 0.0176
Echinococcus multilocularis ubiquitin specific protease 41 0.0045 0.0071 0.0071
Schistosoma mansoni FTZ-F1 nuclear receptor-like protein 0.0053 0.0176 0.0176
Brugia malayi MAP kinase sur-1 0.0062 0.0283 0.0486
Leishmania major mitogen activated protein kinase 4, putative;with=GeneDB:LmxM19.1440 0.0062 0.0283 0.6862
Loa Loa (eye worm) nuclear hormone receptor family member nhr-40 0.0053 0.0176 0.0302
Trichomonas vaginalis Clan CA, family C19, ubiquitin hydrolase-like cysteine peptidase 0.0045 0.0071 0.0002
Brugia malayi Steroid receptor seven-up type 2 0.0053 0.0176 0.0302
Trypanosoma brucei mitogen activated protein kinase 4, putative 0.0062 0.0283 1
Loa Loa (eye worm) inositol-1 0.0045 0.007 0.012
Trichomonas vaginalis glutaminase, putative 0.033 0.3664 1
Echinococcus granulosus nuclear receptor 2DBD gamma 0.0053 0.0176 0.0176
Leishmania major mitogen activated protein kinase, putative,map kinase, putative 0.0062 0.0283 0.6862
Schistosoma mansoni nuclear receptor 2DBD-gamma 0.0053 0.0176 0.0176
Echinococcus granulosus FTZ F1 alpha 0.0053 0.0176 0.0176
Echinococcus granulosus FTZ F1 nuclear receptor protein 0.0053 0.0176 0.0176
Schistosoma mansoni 3-hydroxyacyl-CoA dehydrogenase 0.0069 0.0381 0.0381
Brugia malayi Ligand-binding domain of nuclear hormone receptor family protein 0.0053 0.0176 0.0302
Brugia malayi Ligand-binding domain of nuclear hormone receptor family protein 0.0053 0.0176 0.0302
Loa Loa (eye worm) hypothetical protein 0.0053 0.0176 0.0302
Leishmania major ubiquitin hydrolase, putative,cysteine peptidase, Clan CA, family C19, putative 0.0045 0.0071 0.0022
Echinococcus granulosus 3 hydroxyacyl coenzyme A dehydrogenase type 2 0.0069 0.0381 0.0381
Giardia lamblia Kinase, CMGC MAPK 0.0062 0.0283 1
Brugia malayi Nuclear hormone receptor family member nhr-14 0.0053 0.0176 0.0302
Echinococcus multilocularis mitogen activated protein kinase 3 0.0062 0.0283 0.0283
Trypanosoma brucei ubiquitin carboxyl-terminal hydrolase, putative 0.0045 0.0071 0.0032
Schistosoma mansoni ubiquitin-specific peptidase 2 (C19 family) 0.0045 0.0071 0.0071
Trypanosoma cruzi ubiquitin carboxyl-terminal hydrolase, putative 0.0045 0.0071 0.0032
Trichomonas vaginalis CMGC family protein kinase 0.0062 0.0283 0.0593
Trypanosoma cruzi mitogen-activated protein kinase 11, putative 0.0062 0.0283 1
Entamoeba histolytica ubiquitin carboxyl-terminal hydrolase domain containing protein 0.0045 0.0071 1
Schistosoma mansoni Tr4/Tr2 (homologue) 0.0053 0.0176 0.0176
Schistosoma mansoni glutaminase 0.033 0.3664 0.3664
Schistosoma mansoni nuclear hormone receptor 0.0053 0.0176 0.0176
Echinococcus multilocularis thyroid hormone receptor alpha 0.0053 0.0176 0.0176
Echinococcus multilocularis inositol monophosphatase 1 0.0045 0.007 0.007
Mycobacterium ulcerans short-chain type dehydrogenase/reductase 0.0069 0.0381 0.0864
Brugia malayi Nuclear hormone receptor family member nhr-1 0.0053 0.0176 0.0302
Trichomonas vaginalis conserved hypothetical protein 0.0045 0.0071 0.0002
Trypanosoma cruzi mitogen activated protein kinase 4, putative 0.0062 0.0283 1
Echinococcus granulosus ecdysone induced protein 78C 0.0053 0.0176 0.0176
Schistosoma mansoni inositol monophosphatase 0.0045 0.007 0.007
Brugia malayi Nuclear hormone receptor family member nhr-40 0.0053 0.0176 0.0302
Loa Loa (eye worm) hypothetical protein 0.0053 0.0176 0.0302
Schistosoma mansoni retinoid-x-receptor (RXR) 0.0053 0.0176 0.0176
Trichomonas vaginalis Clan CA, family C19, ubiquitin hydrolase-like cysteine peptidase 0.0045 0.0071 0.0002
Brugia malayi Nuclear hormone receptor family member nhr-31 0.0053 0.0176 0.0302
Toxoplasma gondii CMGC kinase, MAPK family (ERK) MAPK-1 0.0062 0.0283 1
Brugia malayi Nuclear hormone receptor family member nhr-3 0.0053 0.0176 0.0302
Echinococcus granulosus mitogen activated protein kinase 0.0062 0.0283 0.0283
Brugia malayi nuclear hormone receptor 0.0053 0.0176 0.0302
Echinococcus granulosus Nuclear hormone receptor family member nhr 41 0.0053 0.0176 0.0176
Echinococcus multilocularis ecdysone induced protein 78C 0.0053 0.0176 0.0176
Wolbachia endosymbiont of Brugia malayi fructose-1,6-bisphosphatase 0.0045 0.007 0.5
Brugia malayi photoreceptor-specific nuclear receptor 0.0053 0.0176 0.0302
Mycobacterium ulcerans glutaminase 0.033 0.3664 1
Trypanosoma cruzi mitogen activated protein kinase 2, putative 0.0062 0.0283 1
Echinococcus multilocularis Nuclear hormone receptor family member nhr 41 0.0053 0.0176 0.0176
Echinococcus multilocularis hepatocyte nuclear factor 4 alpha 0.0053 0.0176 0.0176
Schistosoma mansoni RAR-like nuclear receptor 0.0053 0.0176 0.0176
Loa Loa (eye worm) hypothetical protein 0.0053 0.0176 0.0302
Loa Loa (eye worm) nuclear Hormone Receptor family member 0.0053 0.0176 0.0302
Loa Loa (eye worm) hypothetical protein 0.0502 0.5824 1
Brugia malayi Nuclear hormone receptor family member nhr-19 0.0053 0.0176 0.0302
Loa Loa (eye worm) nuclear hormone receptor family member nhr-31 0.0053 0.0176 0.0302
Brugia malayi glutaminase DH11.1 0.033 0.3664 0.6292
Echinococcus multilocularis mitogen activated protein kinase 0.0062 0.0283 0.0283
Loa Loa (eye worm) nuclear hormone receptor family member nhr-49 0.0053 0.0176 0.0302
Schistosoma mansoni serine/threonine protein kinase 0.0062 0.0283 0.0283
Loa Loa (eye worm) nuclear hormone receptor family member nhr-14 0.0053 0.0176 0.0302
Trypanosoma cruzi ubiquitin carboxyl-terminal hydrolase, putative 0.0045 0.0071 0.0032
Loa Loa (eye worm) 3-hydroxyacyl-CoA dehydrogenase type II 0.0065 0.0322 0.0553

Activities

Activity type Activity value Assay description Source Reference
Potency (functional) 0.2332 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) = 10 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) = 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) = 10 um PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of HADH2 (Hydroxyacyl-Coenzyme A Dehydrogenase, Type II). (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 10 uM PubChem BioAssay. qHTS for Inhibitors of Glutaminase (GLS). (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) = 12.5893 um PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of Ubiquitin-specific Protease USP2a. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) = 15.8489 um PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of 15-hLO (15-human lipoxygenase). (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) = 19.9526 um PUBCHEM_BIOASSAY: qHTS for Inhibitors of Tau Fibril Formation, Fluorescence Polarization. (Class of assay: confirmatory) [Related pubchem assays: 596 ] ChEMBL. No reference
Potency (binding) = 28.1838 um PUBCHEM_BIOASSAY: qHTS for Inhibitors of Tau Fibril Formation, Thioflavin T Binding. (Class of assay: confirmatory) [Related pubchem assays: 596 ] ChEMBL. No reference
Potency (functional) = 31.6228 um PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of HSD17B4, hydroxysteroid (17-beta) dehydrogenase 4. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) = 35.4813 um PUBCHEM_BIOASSAY: qHTS for inhibitors of ROR gamma transcriptional activity. (Class of assay: confirmatory) ChEMBL. No reference
Potency (binding) 35.4813 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) 44.6684 uM PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of Mammalian Selenoprotein Thioredoxin Reductase 1 (TrxR1): qHTS. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID488771] ChEMBL. No reference
Potency (functional) 89.1251 uM PubChem BioAssay. qHTS for Inhibitors of WRN Helicase. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 100 uM PUBCHEM_BIOASSAY: qHTS for Inhibitors of Polymerase Iota. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID588623] 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.
 
In any case, if you have information about papers containing relevant validation data for this target, please log in using your TDR Targets username and password and send them to us using the corresponding form in this page (only visible to registered users) or contact us.

External resources for this compound

Bibliographic References

No literature references available for this target.

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