Detailed information for compound 1436972

Basic information

Technical information
  • TDR Targets ID: 1436972
  • Name: 1-[2-(5-methyl-2-propan-2-ylphenoxy)ethyl]-3- naphthalen-1-ylthiourea
  • MW: 378.53 | Formula: C23H26N2OS
  • H donors: 1 H acceptors: 0 LogP: 6.2 Rotable bonds: 7
    Rule of 5 violations (Lipinski): 1
  • SMILES: Cc1ccc(c(c1)OCCN=C(Nc1cccc2c1cccc2)S)C(C)C
  • InChi: 1S/C23H26N2OS/c1-16(2)19-12-11-17(3)15-22(19)26-14-13-24-23(27)25-21-10-6-8-18-7-4-5-9-20(18)21/h4-12,15-16H,13-14H2,1-3H3,(H2,24,25,27)
  • InChiKey: FYHJDLFXYHVCBK-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

  • 1-[2-(2-isopropyl-5-methyl-phenoxy)ethyl]-3-(1-naphthyl)thiourea
  • 1-[2-(2-isopropyl-5-methylphenoxy)ethyl]-3-(1-naphthyl)thiourea
  • 1-[2-(5-methyl-2-propan-2-yl-phenoxy)ethyl]-3-naphthalen-1-yl-thiourea
  • A0505/0023445
  • ZINC02185037
  • MLS000571286
  • N-[2-(2-isopropyl-5-methylphenoxy)ethyl]-N'-1-naphthylthiourea
  • SMR000193654
  • BIM-0037512.P001
  • CBMicro_037735
  • 1-[2-(2-Isopropyl-5-methyl-phenoxy)-ethyl]-3-naphthalen-1-yl-thiourea

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Homo sapiens arachidonate 12-lipoxygenase Starlite/ChEMBL No references
Rattus norvegicus Inositol monophosphatase 1 Starlite/ChEMBL No references
Homo sapiens arachidonate 15-lipoxygenase, type B Starlite/ChEMBL No references
Homo sapiens isocitrate dehydrogenase 1 (NADP+), soluble Starlite/ChEMBL No references
Homo sapiens glucagon-like peptide 1 receptor Starlite/ChEMBL No references
Mus musculus RAR-related orphan receptor gamma Starlite/ChEMBL No references
Sus scrofa Calpain 2 Starlite/ChEMBL No references
Homo sapiens geminin, DNA replication inhibitor Starlite/ChEMBL No references
Homo sapiens neuropeptide S receptor 1 Starlite/ChEMBL No references

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Echinococcus multilocularis NADP dependent isocitrate dehydrogenase Get druggable targets OG5_127057 All targets in OG5_127057
Trypanosoma cruzi myo-inositol-1(or 4)-monophosphatase 1, putative Get druggable targets OG5_126810 All targets in OG5_126810
Echinococcus granulosus calpain A Get druggable targets OG5_127139 All targets in OG5_127139
Trypanosoma cruzi isocitrate dehydrogenase, putative Get druggable targets OG5_127057 All targets in OG5_127057
Leishmania braziliensis isocitrate dehydrogenase [NADP], mitochondrial precursor, putative Get druggable targets OG5_127057 All targets in OG5_127057
Schistosoma japonicum ko:K00031 isocitrate dehydrogenase [EC1.1.1.42], putative Get druggable targets OG5_127057 All targets in OG5_127057
Schistosoma mansoni inositol monophosphatase Get druggable targets OG5_126810 All targets in OG5_126810
Leishmania donovani isocitrate dehydrogenase [NADP], mitochondrial precursor, putative Get druggable targets OG5_127057 All targets in OG5_127057
Plasmodium knowlesi isocitrate dehydrogenase [NADP], mitochondrial, putative Get druggable targets OG5_127057 All targets in OG5_127057
Toxoplasma gondii isocitrate dehydrogenase Get druggable targets OG5_127057 All targets in OG5_127057
Echinococcus granulosus arachidonate 5 lipoxygenase Get druggable targets OG5_127482 All targets in OG5_127482
Trypanosoma congolense isocitrate dehydrogenase, putative Get druggable targets OG5_127057 All targets in OG5_127057
Trypanosoma brucei inositol-1(or 4)-monophosphatase 1, putative Get druggable targets OG5_126810 All targets in OG5_126810
Echinococcus multilocularis family C2 unassigned peptidase (C02 family) Get druggable targets OG5_127139 All targets in OG5_127139
Toxoplasma gondii isocitrate dehydrogenase Get druggable targets OG5_127057 All targets in OG5_127057
Trypanosoma cruzi myo-inositol-1(or 4)-monophosphatase 1, putative Get druggable targets OG5_126810 All targets in OG5_126810
Schistosoma mansoni family C2 unassigned peptidase (C02 family) Get druggable targets OG5_127139 All targets in OG5_127139
Neospora caninum hypothetical protein Get druggable targets OG5_127057 All targets in OG5_127057
Loa Loa (eye worm) isocitrate dehydrogenase Get druggable targets OG5_127057 All targets in OG5_127057
Schistosoma mansoni inositol monophosphatase Get druggable targets OG5_126810 All targets in OG5_126810
Loa Loa (eye worm) inositol-1 Get druggable targets OG5_126810 All targets in OG5_126810
Schistosoma japonicum Calpain-A, putative Get druggable targets OG5_127139 All targets in OG5_127139
Echinococcus multilocularis NADP dependent isocitrate dehydrogenase Get druggable targets OG5_127057 All targets in OG5_127057
Candida albicans N terminus of cytosolic NADP-specific isocitrate dehydrogenase. Get druggable targets OG5_127057 All targets in OG5_127057
Echinococcus multilocularis inositol monophosphatase 1 Get druggable targets OG5_126810 All targets in OG5_126810
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_127139 All targets in OG5_127139
Schistosoma japonicum Calpain-1 catalytic subunit, putative Get druggable targets OG5_127139 All targets in OG5_127139
Trichomonas vaginalis inositol monophosphatase, putative Get druggable targets OG5_126810 All targets in OG5_126810
Schistosoma japonicum IPR000276,Rhodopsin-like GPCR superfamily,domain-containing Get druggable targets OG5_136011 All targets in OG5_136011
Mycobacterium ulcerans extragenic suppressor protein SuhB Get druggable targets OG5_126810 All targets in OG5_126810
Leishmania major myo-inositol-1(or 4)-monophosphatase 1, putative Get druggable targets OG5_126810 All targets in OG5_126810
Echinococcus multilocularis calpain family protein 1, d Get druggable targets OG5_127139 All targets in OG5_127139
Echinococcus multilocularis calpain A Get druggable targets OG5_127139 All targets in OG5_127139
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_127139 All targets in OG5_127139
Echinococcus multilocularis isocitrate dehydrogenase Get druggable targets OG5_127057 All targets in OG5_127057
Schistosoma mansoni family C2 unassigned peptidase (C02 family) Get druggable targets OG5_127139 All targets in OG5_127139
Plasmodium berghei isocitrate dehydrogenase [NADP], mitochondrial, putative Get druggable targets OG5_127057 All targets in OG5_127057
Babesia bovis isocitrate dehydrogenase, NADP-dependent family protein Get druggable targets OG5_127057 All targets in OG5_127057
Leishmania major isocitrate dehydrogenase [NADP], mitochondrial precursor, putative Get druggable targets OG5_127057 All targets in OG5_127057
Brugia malayi Isocitrate dehydrogenase Get druggable targets OG5_127057 All targets in OG5_127057
Trichomonas vaginalis myo inositol monophosphatase, putative Get druggable targets OG5_126810 All targets in OG5_126810
Plasmodium vivax isocitrate dehydrogenase [NADP], mitochondrial, putative Get druggable targets OG5_127057 All targets in OG5_127057
Schistosoma japonicum ko:K00461 arachidonate 5-lipoxygenase [EC1.13.11.34], putative Get druggable targets OG5_127482 All targets in OG5_127482
Leishmania mexicana myo-inositol-1(or 4)-monophosphatase 1, putative Get druggable targets OG5_126810 All targets in OG5_126810
Trypanosoma congolense isocitrate dehydrogenase, putative Get druggable targets OG5_127057 All targets in OG5_127057
Onchocerca volvulus Get druggable targets OG5_127139 All targets in OG5_127139
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
Echinococcus granulosus neuropeptide s receptor Get druggable targets OG5_136011 All targets in OG5_136011
Trypanosoma congolense inositol-1(or 4)-monophosphatase 1, 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
Trypanosoma cruzi isocitrate dehydrogenase [NADP], mitochondrial precursor, putative Get druggable targets OG5_127057 All targets in OG5_127057
Echinococcus granulosus family C2 unassigned peptidase C02 family Get druggable targets OG5_127139 All targets in OG5_127139
Mycobacterium tuberculosis Probable isocitrate dehydrogenase [NADP] Icd1 (oxalosuccinate decarboxylase) (IDH) (NADP+-specific ICDH) (IDP) Get druggable targets OG5_127057 All targets in OG5_127057
Candida albicans Mitochondrial NADP-specific isocitrate dehydrogenase Get druggable targets OG5_127057 All targets in OG5_127057
Wolbachia endosymbiont of Brugia malayi fructose-1,6-bisphosphatase Get druggable targets OG5_126810 All targets in OG5_126810
Echinococcus multilocularis arachidonate 5 lipoxygenase Get druggable targets OG5_127482 All targets in OG5_127482
Loa Loa (eye worm) calpain family protein 1 Get druggable targets OG5_127139 All targets in OG5_127139
Neospora caninum Isocitrate dehydrogenase-like protein, related Get druggable targets OG5_127057 All targets in OG5_127057
Schistosoma japonicum ko:K08585 calpain, invertebrate, putative Get druggable targets OG5_127139 All targets in OG5_127139
Toxoplasma gondii inositol(myo)-1(or 4)-monophosphatase 2, putative Get druggable targets OG5_126810 All targets in OG5_126810
Leishmania braziliensis myo-inositol-1(or 4)-monophosphatase 1, putative Get druggable targets OG5_126810 All targets in OG5_126810
Schistosoma mansoni lipoxygenase Get druggable targets OG5_127482 All targets in OG5_127482
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_127139 All targets in OG5_127139
Echinococcus multilocularis neuropeptide receptor A26 Get druggable targets OG5_136011 All targets in OG5_136011
Schistosoma mansoni NADP-specific isocitrate dehydrogenase Get druggable targets OG5_127057 All targets in OG5_127057
Trypanosoma brucei gambiense inositol-1(or 4)-monophosphatase 1, putative Get druggable targets OG5_126810 All targets in OG5_126810
Leishmania mexicana isocitrate dehydrogenase [NADP], mitochondrial precursor, putative Get druggable targets OG5_127057 All targets in OG5_127057
Echinococcus granulosus inositol monophosphatase 1 Get druggable targets OG5_126810 All targets in OG5_126810
Theileria parva isocitrate dehydrogenase (NADP+), putative Get druggable targets OG5_127057 All targets in OG5_127057
Trypanosoma brucei gambiense isocitrate dehydrogenase [NADP], mitochondrial precursor, putative Get druggable targets OG5_127057 All targets in OG5_127057
Candida albicans C terminus of cytosolic NADP-specific isocitrate dehydrogenase. Get druggable targets OG5_127057 All targets in OG5_127057
Echinococcus multilocularis neuropeptide s receptor Get druggable targets OG5_136011 All targets in OG5_136011
Leishmania infantum myo-inositol-1(or 4)-monophosphatase 1, putative Get druggable targets OG5_126810 All targets in OG5_126810
Plasmodium yoelii isocitrate dehydrogenase, NADP-dependent, putative Get druggable targets OG5_127057 All targets in OG5_127057
Trypanosoma brucei gambiense isocitrate dehydrogenase, putative Get druggable targets OG5_127057 All targets in OG5_127057
Brugia malayi calpain family protein 1 Get druggable targets OG5_127139 All targets in OG5_127139
Loa Loa (eye worm) calpain family protein 1 Get druggable targets OG5_127139 All targets in OG5_127139
Leishmania infantum isocitrate dehydrogenase [NADP], mitochondrial precursor, putative Get druggable targets OG5_127057 All targets in OG5_127057
Trypanosoma brucei isocitrate dehydrogenase [NADP], mitochondrial precursor, putative Get druggable targets OG5_127057 All targets in OG5_127057
Echinococcus multilocularis isocitrate dehydrogenase 2 (NADP+) Get druggable targets OG5_127057 All targets in OG5_127057
Trypanosoma brucei isocitrate dehydrogenase, putative Get druggable targets OG5_127057 All targets in OG5_127057
Leishmania donovani myo-inositol-1(or 4)-monophosphatase 1, putative Get druggable targets OG5_126810 All targets in OG5_126810
Brugia malayi calpain family protein 1 Get druggable targets OG5_127139 All targets in OG5_127139
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_127139 All targets in OG5_127139
Schistosoma mansoni lipoxygenase Get druggable targets OG5_127482 All targets in OG5_127482
Plasmodium falciparum isocitrate dehydrogenase [NADP], mitochondrial Get druggable targets OG5_127057 All targets in OG5_127057
Schistosoma japonicum IPR001024,Lipoxygenase, LH2;IPR013819,Lipoxygenase, C-terminal,domain-containing Get druggable targets OG5_127482 All targets in OG5_127482
Trichomonas vaginalis myo inositol monophosphatase, putative Get druggable targets OG5_126810 All targets in OG5_126810
Entamoeba histolytica myo-inositol monophosphatase, putative Get druggable targets OG5_126810 All targets in OG5_126810
Schistosoma mansoni family C2 unassigned peptidase (C02 family) Get druggable targets OG5_127139 All targets in OG5_127139
Brugia malayi Inositol-1 Get druggable targets OG5_126810 All targets in OG5_126810
Candida albicans Mitochondrial NADP-specific isocitrate dehydrogenase Get druggable targets OG5_127057 All targets in OG5_127057
Neospora caninum hypothetical protein Get druggable targets OG5_126810 All targets in OG5_126810
Plasmodium yoelii isocitrate dehydrogenase, NADP-dependent Get druggable targets OG5_127057 All targets in OG5_127057
Brugia malayi isocitrate dehydrogenase Get druggable targets OG5_127057 All targets in OG5_127057
Echinococcus granulosus neuropeptide receptor A26 Get druggable targets OG5_136011 All targets in OG5_136011
Echinococcus multilocularis NADP dependent isocitrate dehydrogenase Get druggable targets OG5_127057 All targets in OG5_127057
Candida albicans cytosolic NADP-specific isocitrate dehydrogenase. Get druggable targets OG5_127057 All targets in OG5_127057
Echinococcus granulosus NADP dependent isocitrate dehydrogenase Get druggable targets OG5_127057 All targets in OG5_127057
Mycobacterium leprae possible inositol monophosphatase SubH (IMPase) (inositol-1-phosphatase) (I-1-Pase ). Get druggable targets OG5_126810 All targets in OG5_126810
By sequence similarity to non orthologous known druggable targets
Species Potential target Known druggable target Length Alignment span Identity
Schistosoma japonicum Calpain-9, putative Calpain 2   324 aa 275 aa 27.6 %
Onchocerca volvulus Putative trans-2-enoyl-CoA reductase 1, mitochondrial Inositol monophosphatase 1   277 aa 278 aa 23.0 %
Loa Loa (eye worm) hypothetical protein Inositol monophosphatase 1   277 aa 298 aa 23.8 %
Schistosoma mansoni calpain C (C02 family) Calpain 2   324 aa 319 aa 27.3 %
Trichomonas vaginalis diphosphonucleoside phosphohydrolase, putative Inositol monophosphatase 1   277 aa 263 aa 21.7 %
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 %
Trypanosoma cruzi inositol polyphosphate 1-phosphatase, putative Inositol monophosphatase 1   277 aa 291 aa 23.7 %
Onchocerca volvulus Inositol monophosphatase 1   277 aa 238 aa 22.7 %
Trypanosoma brucei gambiense inositol-1(or 4)-monophosphatase, putative Inositol monophosphatase 1   277 aa 309 aa 27.8 %
Trypanosoma cruzi myo-inositol-1 phosphatase, putative Inositol monophosphatase 1   277 aa 284 aa 30.6 %
Dictyostelium discoideum 3',5'-bisphosphate nucleotidase 1 Inositol monophosphatase 1   277 aa 275 aa 22.2 %
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 %
Entamoeba histolytica 3(2),5-bisphosphate nucleotidase, putative Inositol monophosphatase 1   277 aa 287 aa 22.3 %
Schistosoma japonicum ko:K01082 3'(2'), 5'-bisphosphate nucleotidase [EC3.1.3.7], putative Inositol monophosphatase 1   277 aa 275 aa 21.5 %
Echinococcus granulosus arachidonate 5 lipoxygenase arachidonate 12-lipoxygenase 663 aa 662 aa 22.8 %
Plasmodium vivax hypothetical protein, conserved Calpain 2   324 aa 277 aa 19.9 %
Schistosoma mansoni pap-inositol-14-phosphatase Inositol monophosphatase 1   277 aa 279 aa 22.9 %
Entamoeba histolytica 3(2),5-bisphosphate nucleotidase, putative Inositol monophosphatase 1   277 aa 263 aa 24.0 %
Trichomonas vaginalis myo inositol monophosphatase, putative Inositol monophosphatase 1   277 aa 276 aa 21.4 %
Trichomonas vaginalis inositol monophosphatase, putative Inositol monophosphatase 1   277 aa 268 aa 22.4 %
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 %
Echinococcus granulosus calpain Calpain 2   324 aa 322 aa 31.7 %
Dictyostelium discoideum 3',5'-bisphosphate nucleotidase Inositol monophosphatase 1   277 aa 230 aa 25.2 %
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 %
Echinococcus granulosus calpain A Calpain 2   324 aa 297 aa 27.6 %
Schistosoma mansoni calpain (C02 family) Calpain 2   324 aa 318 aa 24.2 %
Trypanosoma brucei inositol-1(or 4)-monophosphatase, putative Inositol monophosphatase 1   277 aa 304 aa 27.3 %
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 300 aa 22.0 %
Echinococcus multilocularis calpain Calpain 2   324 aa 320 aa 31.9 %
Onchocerca volvulus Putative 28S ribosomal protein S10, mitochondrial Inositol monophosphatase 1   277 aa 271 aa 46.1 %
Loa Loa (eye worm) pigment dispersing factor receptor c glucagon-like peptide 1 receptor 463 aa 388 aa 25.8 %
Echinococcus multilocularis hypothetical protein Calpain 2   324 aa 297 aa 27.9 %
Obtained from network model

Ranking Plot

Putative Targets List

Species Potential target Raw Global Species
Toxoplasma gondii acyl-CoA:cholesterol acyltransferase alpha ACAT1-alpha 0.024 0.0799 1
Trypanosoma cruzi glycerol uptake protein, putative 0.024 0.0799 1
Trypanosoma cruzi calpain-like cysteine peptidase, putative 0.0023 0.0015 0.0184
Entamoeba histolytica membrane-bound O-acyltransferase (MBOAT ) family protein 0.024 0.0799 1
Echinococcus multilocularis family C2 unassigned peptidase (C02 family) 0.0082 0.0226 0.0226
Echinococcus multilocularis geminin 0.0205 0.067 0.067
Schistosoma mansoni diacylglycerol O-acyltransferase 1 0.024 0.0799 0.0799
Loa Loa (eye worm) hypothetical protein 0.0078 0.0212 0.0212
Echinococcus granulosus o acyltransferase membrane bound domain 0.024 0.0799 0.0799
Brugia malayi hypothetical protein 0.0048 0.0103 0.0103
Loa Loa (eye worm) calpain family protein 1 0.0078 0.0212 0.0212
Entamoeba histolytica membrane-bound O-acyltransferase (MBOAT ) family protein 0.024 0.0799 1
Schistosoma mansoni rab6-interacting 0.0048 0.0103 0.0103
Brugia malayi latrophilin 2 splice variant baaae 0.0041 0.008 0.008
Trypanosoma cruzi calpain cysteine peptidase, putative 0.0023 0.0015 0.0184
Leishmania major calpain-like cysteine peptidase, putative,cysteine peptidase, Clan CA, family C2, putative 0.0023 0.0015 0.0184
Loa Loa (eye worm) membrane bound O-acyltransferase domain containing 1 0.024 0.0799 0.0799
Brugia malayi MBOAT family protein 0.024 0.0799 0.0799
Leishmania major calpain, putative,cysteine peptidase, Clan CA, family C2, putative 0.0023 0.0015 0.0184
Schistosoma mansoni inositol monophosphatase 0.0045 0.0092 0.0092
Echinococcus multilocularis calpain family protein 1, d 0.0055 0.0128 0.0128
Loa Loa (eye worm) calpain 0.0023 0.0015 0.0015
Trichomonas vaginalis porcupine, putative 0.024 0.0799 1
Schistosoma mansoni hypothetical protein 0.0205 0.067 0.067
Trypanosoma brucei cysteine peptidase, Clan CA, family C2, putative 0.0023 0.0015 0.0184
Schistosoma mansoni o-acyltransferase (membrane bound) domain containing protein 0.024 0.0799 0.0799
Loa Loa (eye worm) hypothetical protein 0.0041 0.008 0.008
Leishmania major glycerol uptake protein, putative 0.024 0.0799 1
Trypanosoma brucei kinesin, putative 0.0023 0.0015 0.0184
Loa Loa (eye worm) calpain family protein 1 0.0055 0.0128 0.0128
Echinococcus multilocularis o acyltransferase (membrane bound) domain 0.024 0.0799 0.0799
Leishmania major myo-inositol-1(or 4)-monophosphatase 1, putative 0.0045 0.0092 0.1154
Echinococcus multilocularis Polycystic kidney disease protein 0.0048 0.0103 0.0103
Loa Loa (eye worm) pigment dispersing factor receptor c 0.006 0.0148 0.0148
Loa Loa (eye worm) hypothetical protein 0.0048 0.0103 0.0103
Echinococcus granulosus Membrane bound O acyl transferase MBOAT 0.024 0.0799 0.0799
Leishmania major kinesin, putative 0.0023 0.0015 0.0184
Echinococcus granulosus RUN 0.0048 0.0103 0.0103
Schistosoma mansoni loxhd1 0.0048 0.0103 0.0103
Loa Loa (eye worm) calpain 5 0.0023 0.0015 0.0015
Trypanosoma cruzi calpain-like cysteine peptidase, putative 0.0023 0.0015 0.0184
Schistosoma mansoni family C2 unassigned peptidase (C02 family) 0.0082 0.0226 0.0226
Echinococcus multilocularis lysophospholipid acyltransferase 7 0.024 0.0799 0.0799
Trypanosoma cruzi calpain-like cysteine peptidase, putative 0.0023 0.0015 0.0184
Brugia malayi calpain 5 0.0023 0.0015 0.0015
Treponema pallidum alginate O-acetylation protein (algI) 0.024 0.0799 0.5
Echinococcus granulosus Polycystic kidney disease protein 0.0048 0.0103 0.0103
Schistosoma mansoni polycystin 1-related 0.0048 0.0103 0.0103
Schistosoma mansoni lipoxygenase 0.0209 0.0686 0.0686
Entamoeba histolytica hypothetical protein 0.024 0.0799 1
Trichomonas vaginalis conserved hypothetical protein 0.024 0.0799 1
Trypanosoma cruzi GUP1, putative 0.024 0.0799 1
Echinococcus multilocularis arachidonate 5 lipoxygenase 0.0209 0.0686 0.0686
Entamoeba histolytica membrane-bound O-acyltransferase (MBOAT ) family protein 0.024 0.0799 1
Mycobacterium leprae possible inositol monophosphatase SubH (IMPase) (inositol-1-phosphatase) (I-1-Pase ). 0.004 0.0075 0.5
Loa Loa (eye worm) hypothetical protein 0.0055 0.0128 0.0128
Echinococcus multilocularis inositol monophosphatase 1 0.0045 0.0092 0.0092
Trypanosoma cruzi myo-inositol-1(or 4)-monophosphatase 1, putative 0.0045 0.0092 0.1154
Echinococcus granulosus calpain 0.0023 0.0015 0.0015
Trichomonas vaginalis transmembrane protein nessy, putative 0.024 0.0799 1
Schistosoma mansoni family C2 unassigned peptidase (C02 family) 0.0078 0.0212 0.0212
Echinococcus granulosus sterol O acyltransferase 1 0.024 0.0799 0.0799
Echinococcus granulosus neuropeptide s receptor 0.0558 0.1948 0.1948
Brugia malayi calpain family protein 1 0.0078 0.0212 0.0212
Loa Loa (eye worm) hypothetical protein 0.006 0.0148 0.0148
Trypanosoma brucei glycerol uptake protein, putative 0.024 0.0799 1
Mycobacterium tuberculosis Inositol-1-monophosphatase SuhB 0.004 0.0075 1
Schistosoma mansoni family C2 unassigned peptidase (C02 family) 0.0082 0.0226 0.0226
Schistosoma mansoni calpain (C02 family) 0.0023 0.0015 0.0015
Entamoeba histolytica myo-inositol monophosphatase, putative 0.0045 0.0092 0.0988
Trypanosoma brucei calpain-like protein, putative 0.0023 0.0015 0.0184
Brugia malayi MBOAT family protein 0.024 0.0799 0.0799
Echinococcus multilocularis membrane bound acyltransferase:hhat 0.024 0.0799 0.0799
Brugia malayi calpain 7 0.0023 0.0015 0.0015
Echinococcus granulosus inositol monophosphatase 1 0.0045 0.0092 0.0092
Onchocerca volvulus 0.0055 0.0128 0.0365
Brugia malayi MBOAT family protein 0.024 0.0799 0.0799
Leishmania major hypothetical protein, conserved 0.024 0.0799 1
Echinococcus multilocularis RUN 0.0048 0.0103 0.0103
Wolbachia endosymbiont of Brugia malayi fructose-1,6-bisphosphatase 0.0045 0.0092 0.5
Trypanosoma brucei calpain-like cysteine peptidase, putative 0.0023 0.0015 0.0184
Echinococcus granulosus calpain 7 C02 family 0.0023 0.0015 0.0015
Echinococcus multilocularis o acyltransferase (membrane bound) domain 0.024 0.0799 0.0799
Echinococcus granulosus calpain A 0.0082 0.0226 0.0226
Loa Loa (eye worm) hypothetical protein 0.0055 0.0128 0.0128
Echinococcus granulosus calpain 5 0.0023 0.0015 0.0015
Schistosoma mansoni leukocyte receptor cluster (lrc) member 4 protein 0.024 0.0799 0.0799
Trypanosoma cruzi kinesin, putative 0.0023 0.0015 0.0184
Toxoplasma gondii inositol(myo)-1(or 4)-monophosphatase 2, putative 0.0045 0.0092 0.1154
Echinococcus granulosus lysophospholipid acyltransferase 7 0.024 0.0799 0.0799
Loa Loa (eye worm) doublecortin family protein 0.0048 0.0103 0.0103
Trichomonas vaginalis conserved hypothetical protein 0.024 0.0799 1
Trypanosoma cruzi calpain-like cysteine peptidase, putative 0.0023 0.0015 0.0184
Brugia malayi Hhat protein 0.024 0.0799 0.0799
Trypanosoma brucei glycerol uptake protein, putative 0.024 0.0799 1
Schistosoma mansoni hypothetical protein 0.0041 0.008 0.008
Loa Loa (eye worm) diacylglycerol acyltransferase 0.024 0.0799 0.0799
Brugia malayi Calcitonin receptor-like protein seb-1 0.006 0.0148 0.0148
Brugia malayi hypothetical protein 0.0048 0.0103 0.0103
Plasmodium vivax multidomain scavenger receptor, putative 0.0048 0.0103 0.129
Plasmodium falciparum diacylglycerol O-acyltransferase 0.024 0.0799 1
Trypanosoma cruzi GUP1, putative 0.024 0.0799 1
Echinococcus multilocularis calpain 0.0023 0.0015 0.0015
Schistosoma mansoni rab6-interacting 0.0048 0.0103 0.0103
Loa Loa (eye worm) hypothetical protein 0.0078 0.0212 0.0212
Trypanosoma cruzi cysteine peptidase, Clan CA, family C2, putative 0.0023 0.0015 0.0184
Toxoplasma gondii acyl-CoA:diacylglycerol acyltransferase 1-related enzyme 0.024 0.0799 1
Echinococcus multilocularis diacylglycerol O acyltransferase 1 0.024 0.0799 0.0799
Loa Loa (eye worm) hypothetical protein 0.0048 0.0103 0.0103
Trypanosoma cruzi cysteine peptidase, Clan CA, family C2, putative 0.0023 0.0015 0.0184
Echinococcus granulosus o acyltransferase membrane bound domain 0.024 0.0799 0.0799
Echinococcus granulosus arachidonate 5 lipoxygenase 0.0209 0.0686 0.0686
Brugia malayi Doublecortin family protein 0.0048 0.0103 0.0103
Leishmania major glycerol uptake protein, putative 0.024 0.0799 1
Echinococcus multilocularis Membrane bound O acyl transferase, MBOAT 0.024 0.0799 0.0799
Plasmodium vivax diacylglycerol O-acyltransferase, putative 0.024 0.0799 1
Echinococcus multilocularis sterol O acyltransferase 1 0.024 0.0799 0.0799
Schistosoma mansoni o-acyltransferase (membrane bound) domain containing protein 0.024 0.0799 0.0799
Schistosoma mansoni inositol monophosphatase 0.0045 0.0092 0.0092
Loa Loa (eye worm) hypothetical protein 0.024 0.0799 0.0799
Loa Loa (eye worm) MBOAT family protein 0.2788 1 1
Echinococcus multilocularis calpain 7 (C02 family) 0.0023 0.0015 0.0015
Leishmania major glycerol uptake protein, putative 0.024 0.0799 1
Loa Loa (eye worm) hypothetical protein 0.024 0.0799 0.0799
Schistosoma mansoni o-acyltransferase (membrane bound) domain containing protein 0.024 0.0799 0.0799
Trypanosoma brucei calpain-like protein, putative 0.0023 0.0015 0.0184
Toxoplasma gondii hypothetical protein 0.024 0.0799 1
Trypanosoma cruzi cysteine peptidase, Clan CA, family C2, putative 0.0023 0.0015 0.0184
Loa Loa (eye worm) MBOAT family protein 0.024 0.0799 0.0799
Leishmania major glycerol uptake protein, putative 0.024 0.0799 1
Brugia malayi diacylglycerol acyltransferase 0.024 0.0799 0.0799
Leishmania major glycerol uptake protein, putative 0.024 0.0799 1
Loa Loa (eye worm) hhat protein 0.024 0.0799 0.0799
Echinococcus granulosus lipoxygenase domain containing protein 0.0048 0.0103 0.0103
Brugia malayi MBOAT family protein 0.024 0.0799 0.0799
Plasmodium vivax calpain, putative 0.0023 0.0015 0.0184
Trypanosoma cruzi kinesin, putative 0.0023 0.0015 0.0184
Mycobacterium ulcerans extragenic suppressor protein SuhB 0.0045 0.0092 0.5
Plasmodium falciparum LCCL domain-containing protein 0.0048 0.0103 0.129
Brugia malayi Inositol-1 0.0045 0.0092 0.0092
Echinococcus granulosus zinc finger protein 0.2548 0.9132 0.9132
Schistosoma mansoni hypothetical protein 0.0048 0.0103 0.0103
Echinococcus granulosus calpain A 0.0023 0.0015 0.0015
Echinococcus multilocularis lipoxygenase domain containing protein 0.0048 0.0103 0.0103
Leishmania major calpain-like cysteine peptidase, putative,cysteine peptidase, Clan CA, family C2, putative 0.0023 0.0015 0.0184
Echinococcus multilocularis calpain A 0.0082 0.0226 0.0226
Schistosoma mansoni calpain-7 (C02 family) 0.0023 0.0015 0.0015
Trypanosoma brucei calpain-like protein, putative 0.0023 0.0015 0.0184
Trichomonas vaginalis conserved hypothetical protein 0.024 0.0799 1
Trypanosoma brucei antigen, putative 0.0023 0.0015 0.0184
Schistosoma mansoni membrane-bound acyltransferase/hhat 0.024 0.0799 0.0799
Echinococcus multilocularis hypothetical protein 0.0023 0.0015 0.0015
Echinococcus granulosus diacylglycerol O acyltransferase 1 0.024 0.0799 0.0799
Trypanosoma brucei inositol-1(or 4)-monophosphatase 1, putative 0.0045 0.0092 0.1154
Echinococcus multilocularis neuropeptide receptor A26 0.0558 0.1948 0.1948
Schistosoma mansoni hypothetical protein 0.024 0.0799 0.0799
Loa Loa (eye worm) inositol-1 0.0045 0.0092 0.0092
Trypanosoma cruzi glycerol uptake protein, putative 0.024 0.0799 1
Entamoeba histolytica hypothetical protein, conserved 0.024 0.0799 1
Echinococcus granulosus membrane bound acyltransferase:hhat 0.024 0.0799 0.0799
Echinococcus granulosus family C2 unassigned peptidase C02 family 0.0082 0.0226 0.0226
Schistosoma mansoni Mername-AA248 (C02 family) 0.0023 0.0015 0.0015
Loa Loa (eye worm) hypothetical protein 0.024 0.0799 0.0799
Schistosoma mansoni sterol O-acyltransferase 1 0.024 0.0799 0.0799
Schistosoma mansoni lipoxygenase 0.0123 0.0377 0.0377
Schistosoma mansoni zinc finger protein 0.2788 1 1
Echinococcus multilocularis o acyltransferase (membrane bound) domain 0.024 0.0799 0.0799
Schistosoma mansoni calpain-7 (C02 family) 0.0023 0.0015 0.0015
Onchocerca volvulus 0.024 0.0799 1
Echinococcus granulosus geminin 0.0205 0.067 0.067
Trypanosoma cruzi calpain-like cysteine peptidase, putative 0.0023 0.0015 0.0184
Entamoeba histolytica vacuolar protein sorting 26 0.024 0.0799 1
Trypanosoma cruzi cysteine peptidase, Clan CA, family C2, putative 0.0023 0.0015 0.0184
Trypanosoma cruzi glycerol uptake protein, putative 0.024 0.0799 1
Brugia malayi calpain family protein 1 0.0078 0.0212 0.0212
Loa Loa (eye worm) MBOAT family protein 0.024 0.0799 0.0799
Loa Loa (eye worm) hypothetical protein 0.024 0.0799 0.0799
Echinococcus multilocularis zinc finger protein 0.2548 0.9132 0.9132
Schistosoma mansoni hypothetical protein 0.0205 0.067 0.067
Schistosoma mansoni calpain C (C02 family) 0.0023 0.0015 0.0015
Echinococcus granulosus o acyltransferase membrane bound domain 0.024 0.0799 0.0799
Trypanosoma cruzi myo-inositol-1(or 4)-monophosphatase 1, putative 0.0045 0.0092 0.1154
Echinococcus granulosus lipoxygenase domain containing protein 0.0048 0.0103 0.0103
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.006 0.0148 0.0148
Echinococcus multilocularis neuropeptide s receptor 0.0558 0.1948 0.1948
Echinococcus multilocularis lipoxygenase domain containing protein 0.0048 0.0103 0.0103
Trypanosoma brucei calpain-like protein, putative 0.0023 0.0015 0.0184
Echinococcus granulosus protein cysteine N palmitoyltransferase 0.2788 1 1
Echinococcus granulosus neuropeptide receptor A26 0.0558 0.1948 0.1948
Loa Loa (eye worm) hhat protein 0.024 0.0799 0.0799
Echinococcus multilocularis protein cysteine N palmitoyltransferase 0.2788 1 1
Echinococcus multilocularis calpain 5 0.0023 0.0015 0.0015

Activities

Activity type Activity value Assay description Source Reference
IC50 (functional) = 6.626645273 um PUBCHEM_BIOASSAY: Dose Response Confirmation for Calpain Inhibitors. (Class of assay: confirmatory) [Related pubchem assays: 1236 (Primary screen preceding this confirmatory assay.)] ChEMBL. No reference
Potency (functional) = 1.2589 um PUBCHEM_BIOASSAY: qHTS for inhibitors of ROR gamma transcriptional activity. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) = 1.5849 um PUBCHEM_BIOASSAY: qHTS Assay for Identifying the Cell-Membrane Permeable IMPase Inhibitors. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 2.5119 uM PubChem BioAssay. qHTS of GLP-1 Receptor Inverse Agonists (Inhibition Mode). (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) = 3.1623 um PUBCHEM_BIOASSAY: VP16 counterscreen qHTS for inhibitors of ROR gamma transcriptional activity. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 5.6234 uM PubChem BioAssay. A quantitative high throughput screen for small molecules that induce DNA re-replication in SW480 colon adenocarcinoma cells. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 5.6234 uM PubChem BioAssay. qHTS for induction of synthetic lethality in tumor cells producing 2HG: qHTS for the HT-1080-NT fibrosarcoma cell line. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 5.6234 uM PUBCHEM_BIOASSAY: qHTS for Inhibitors of TGF-b: Cytotox Counterscreen. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID588855, AID588860] ChEMBL. No reference
Potency (functional) 6.3096 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) 9.285 uM PUBCHEM_BIOASSAY: Primary qHTS for delayed death inhibitors of the malarial parasite plastid, 48 hour incubation. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID488752, AID488774, AID504848, AID504850] ChEMBL. No reference
Potency (functional) = 12.5893 um PUBCHEM_BIOASSAY: qHTS Assay for Antagonists of the Neuropeptide S Receptor: cAMP Signal Transduction. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 13.1154 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) = 14.1254 um PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of 12-hLO (12-human lipoxygenase). (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 15.8489 uM PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of 15-hLO-2 (15-human lipoxygenase 2). (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID2312, AID2537, AID2702] ChEMBL. No reference
Potency (functional) 28.1838 uM PubChem BioAssay. qHTS for Activators of Integrin-Mediated Alleviation for Muscular Dystrophy. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) = 31.6228 um PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of Human alpha-Glucosidase as a Potential Chaperone Treatment of Pompe Disease. (Class of assay: confirmatory) [Related pubchem assays: 997 ] ChEMBL. No reference
Potency (functional) = 31.6228 um PUBCHEM_BIOASSAY: qHTS Assay for Activators of Human alpha-Glucosidase as a Potential Chaperone Treatment of Pompe Disease. (Class of assay: confirmatory) [Related pubchem assays: 1467, 2100, 2112, 1473, 1466 ] ChEMBL. No reference
Potency (functional) = 35.4813 um PUBCHEM_BIOASSAY: qHTS Multiplex Assay to Identify Dual Action Probes in a Cell Model of Huntington: Aggregate Formation (GFP). (Class of assay: confirmatory) [Related pubchem assays: 1482, 1471 ] ChEMBL. No reference
Potency (functional) 35.4813 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) = 35.4813 um PUBCHEM_BIOASSAY: qHTS Assay for Small Molecule Inhibitors of Mitochondrial Division or Activators of Mitochondrial Fusion. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) = 39.8107 um PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of Human Jumonji Domain Containing 2E (JMJD2E). (Class of assay: confirmatory) ChEMBL. No reference
Potency (binding) = 50.1187 um PUBCHEM_BIOASSAY: qHTS Assay for Identification of Novel General Anesthetics. In this assay, a GABAergic mimetic model system, apoferritin and a profluorescent 1-aminoanthracene ligand (1-AMA), was used to construct a competitive binding assay for identification of novel general anesthetics (Class of assay: confirmatory) [Related pubchem assays: 2385 (Probe Development Summary for Identification of Novel General Anesthetics), 2323 (Validation apoferritin assay run on SigmaAldrich LOPAC1280 collection)] ChEMBL. No reference

Phenotypes

Whole-cell/tissue/organism interactions

Species name Source Reference Is orphan
Plasmodium falciparum ChEMBL23
Homo sapiens 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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