Detailed information for compound 1440711

Basic information

Technical information
  • TDR Targets ID: 1440711
  • Name: 4-(4-chlorophenyl)-3-[[3-(4-methylphenyl)-1,2 ,4-oxadiazol-5-yl]methylsulfanyl]-5-(phenylme thyl)-1,2,4-triazole
  • MW: 473.977 | Formula: C25H20ClN5OS
  • H donors: 0 H acceptors: 4 LogP: 6.29 Rotable bonds: 7
    Rule of 5 violations (Lipinski): 1
  • SMILES: Clc1ccc(cc1)n1c(SCc2onc(n2)c2ccc(cc2)C)nnc1Cc1ccccc1
  • InChi: 1S/C25H20ClN5OS/c1-17-7-9-19(10-8-17)24-27-23(32-30-24)16-33-25-29-28-22(15-18-5-3-2-4-6-18)31(25)21-13-11-20(26)12-14-21/h2-14H,15-16H2,1H3
  • InChiKey: HMVDPSBMURUMKW-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

  • 4-(4-chlorophenyl)-3-[[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]methylthio]-5-(phenylmethyl)-1,2,4-triazole
  • 3-(benzyl)-4-(4-chlorophenyl)-5-[[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]methylthio]-1,2,4-triazole
  • SMR000144634
  • 5-({[5-benzyl-4-(4-chlorophenyl)-4H-1,2,4-triazol-3-yl]thio}methyl)-3-(4-methylphenyl)-1,2,4-oxadiazole
  • MLS000538597

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Homo sapiens GNAS complex locus Starlite/ChEMBL No references
Bacillus subtilis 4'-phosphopantetheinyl transferase ffp Starlite/ChEMBL No references
Homo sapiens multiple endocrine neoplasia I No references
Homo sapiens APEX nuclease (multifunctional DNA repair enzyme) 1 Starlite/ChEMBL No references
Homo sapiens lysine (K)-specific methyltransferase 2A Starlite/ChEMBL No references
Homo sapiens calcium channel, voltage-dependent, T type, alpha 1H subunit Starlite/ChEMBL No references
Homo sapiens glucagon-like peptide 1 receptor Starlite/ChEMBL No references
Homo sapiens huntingtin Starlite/ChEMBL No references
Rattus norvegicus Inositol monophosphatase 1 Starlite/ChEMBL No references
Homo sapiens geminin, DNA replication inhibitor Starlite/ChEMBL No references
Homo sapiens neuropeptide S receptor 1 Starlite/ChEMBL No references
Homo sapiens glucosidase, alpha Starlite/ChEMBL No references

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Candida albicans similar to S. cerevisiae APN2 (YBL019W) DNA repair apurinic/apyrimidinic endonuclease Get druggable targets OG5_126768 All targets in OG5_126768
Echinococcus multilocularis DNA (apurinic or apyrimidinic site) lyase Get druggable targets OG5_126768 All targets in OG5_126768
Loa Loa (eye worm) exodeoxyribonuclease III family protein Get druggable targets OG5_126768 All targets in OG5_126768
Trichomonas vaginalis 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
Plasmodium falciparum AP endonuclease (DNA-[apurinic or apyrimidinic site] lyase), putative Get druggable targets OG5_126768 All targets in OG5_126768
Trypanosoma brucei apurinic/apyrimidinic endonuclease, putative Get druggable targets OG5_126768 All targets in OG5_126768
Schistosoma japonicum Menin, putative Get druggable targets OG5_133913 All targets in OG5_133913
Schistosoma mansoni inositol monophosphatase Get druggable targets OG5_126810 All targets in OG5_126810
Plasmodium knowlesi AP endonuclease (DNA-[apurinic or apyrimidinic site] lyase), putative Get druggable targets OG5_126768 All targets in OG5_126768
Schistosoma mansoni alpha-glucosidase Get druggable targets OG5_127055 All targets in OG5_127055
Trichomonas vaginalis myo inositol monophosphatase, putative Get druggable targets OG5_126810 All targets in OG5_126810
Onchocerca volvulus Get druggable targets OG5_127055 All targets in OG5_127055
Mycobacterium ulcerans extragenic suppressor protein SuhB Get druggable targets OG5_126810 All targets in OG5_126810
Schistosoma mansoni hypothetical protein Get druggable targets OG5_133913 All targets in OG5_133913
Schistosoma mansoni ap endonuclease Get druggable targets OG5_126768 All targets in OG5_126768
Onchocerca volvulus Get druggable targets OG5_129301 All targets in OG5_129301
Leishmania braziliensis apurinic/apyrimidinic endonuclease-redox protein Get druggable targets OG5_126768 All targets in OG5_126768
Schistosoma japonicum ko:K09188 myeloid/lymphoid or mixed-lineage leukemia protein 3, putative Get druggable targets OG5_130642 All targets in OG5_130642
Candida albicans hypothetical protein Get druggable targets OG5_127055 All targets in OG5_127055
Schistosoma japonicum DNA-(apurinic or apyrimidinic site) lyase 2, putative Get druggable targets OG5_126768 All targets in OG5_126768
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
Echinococcus multilocularis L aminoadipate semialdehyde Get druggable targets OG5_129301 All targets in OG5_129301
Echinococcus granulosus inositol monophosphatase 1 Get druggable targets OG5_126810 All targets in OG5_126810
Trypanosoma cruzi apurinic/apyrimidinic endonuclease, putative Get druggable targets OG5_126768 All targets in OG5_126768
Schistosoma japonicum ko:K01187 alpha-glucosidase [EC3.2.1.20], putative Get druggable targets OG5_127055 All targets in OG5_127055
Trypanosoma cruzi apurinic/apyrimidinic endonuclease Get druggable targets OG5_126768 All targets in OG5_126768
Leishmania major myo-inositol-1(or 4)-monophosphatase 1, putative Get druggable targets OG5_126810 All targets in OG5_126810
Echinococcus multilocularis lysosomal alpha glucosidase Get druggable targets OG5_127055 All targets in OG5_127055
Echinococcus granulosus DNA apurinic or apyrimidinic site lyase Get druggable targets OG5_126768 All targets in OG5_126768
Neospora caninum Multidomain chromatinic protein with the following architecture: 3x PHD-bromo-3xPHD-SET domain and associated cysteine cluster a Get druggable targets OG5_130642 All targets in OG5_130642
Wolbachia endosymbiont of Brugia malayi fructose-1,6-bisphosphatase Get druggable targets OG5_126810 All targets in OG5_126810
Trypanosoma congolense inositol-1(or 4)-monophosphatase 1, putative Get druggable targets OG5_126810 All targets in OG5_126810
Trichomonas vaginalis ap endonuclease, putative Get druggable targets OG5_126768 All targets in OG5_126768
Loa Loa (eye worm) inositol-1 Get druggable targets OG5_126810 All targets in OG5_126810
Entamoeba histolytica exodeoxyribonuclease III, putative Get druggable targets OG5_126768 All targets in OG5_126768
Schistosoma mansoni inositol monophosphatase Get druggable targets OG5_126810 All targets in OG5_126810
Leishmania infantum myo-inositol-1(or 4)-monophosphatase 1, putative Get druggable targets OG5_126810 All targets in OG5_126810
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_129328 All targets in OG5_129328
Schistosoma japonicum IPR000276,Rhodopsin-like GPCR superfamily,domain-containing Get druggable targets OG5_136011 All targets in OG5_136011
Schistosoma japonicum ko:K00142 aminoadipate-semialdehyde dehydrogenase [EC1.2.1.31], putative Get druggable targets OG5_129301 All targets in OG5_129301
Theileria parva hypothetical protein Get druggable targets OG5_126768 All targets in OG5_126768
Wolbachia endosymbiont of Brugia malayi exonuclease III Get druggable targets OG5_126768 All targets in OG5_126768
Neospora caninum hypothetical protein Get druggable targets OG5_126768 All targets in OG5_126768
Candida albicans closely related to C. albicans GCA1 cell wall mannoprotein glycosyl hydrolase Get druggable targets OG5_127055 All targets in OG5_127055
Schistosoma japonicum ko:K10772 AP endonuclease 2, putative Get druggable targets OG5_126768 All targets in OG5_126768
Echinococcus multilocularis guanine nucleotide binding protein G(s) 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
Echinococcus multilocularis lysosomal alpha glucosidase Get druggable targets OG5_127055 All targets in OG5_127055
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_132837 All targets in OG5_132837
Onchocerca volvulus Huntingtin homolog Get druggable targets OG5_132837 All targets in OG5_132837
Toxoplasma gondii inositol(myo)-1(or 4)-monophosphatase 2, putative Get druggable targets OG5_126810 All targets in OG5_126810
Candida albicans closely related to C. albicans GCA1 cell wall mannoprotein glycosyl hydrolase Get druggable targets OG5_127055 All targets in OG5_127055
Echinococcus multilocularis dnaJ subfamily B Get druggable targets OG5_133913 All targets in OG5_133913
Neospora caninum hypothetical protein Get druggable targets OG5_126810 All targets in OG5_126810
Mycobacterium tuberculosis Probable exodeoxyribonuclease III protein XthA (exonuclease III) (EXO III) (AP endonuclease VI) Get druggable targets OG5_126768 All targets in OG5_126768
Candida albicans hypothetical protein Get druggable targets OG5_127055 All targets in OG5_127055
Echinococcus granulosus lysosomal alpha glucosidase Get druggable targets OG5_127055 All targets in OG5_127055
Schistosoma mansoni alpha-glucosidase Get druggable targets OG5_127055 All targets in OG5_127055
Echinococcus granulosus guanine nucleotide binding protein Gs subunit Get druggable targets OG5_131088 All targets in OG5_131088
Trypanosoma brucei inositol-1(or 4)-monophosphatase 1, putative Get druggable targets OG5_126810 All targets in OG5_126810
Candida albicans cell wall mannoprotein glycosyl hydrolase whose expression increases in presence of galatose Get druggable targets OG5_127055 All targets in OG5_127055
Schistosoma japonicum Lysosomal alpha-glucosidase precursor, putative Get druggable targets OG5_127055 All targets in OG5_127055
Trichomonas vaginalis myo inositol monophosphatase, putative Get druggable targets OG5_126810 All targets in OG5_126810
Cryptosporidium hominis dna-(apurinic or apyrimidinic site) lyase Get druggable targets OG5_126768 All targets in OG5_126768
Leishmania mexicana apurinic/apyrimidinic endonuclease-redox protein,AP-endonuclease Get druggable targets OG5_126768 All targets in OG5_126768
Leishmania mexicana myo-inositol-1(or 4)-monophosphatase 1, putative Get druggable targets OG5_126810 All targets in OG5_126810
Giardia lamblia Endonuclease/Exonuclease/phosphatase Get druggable targets OG5_126768 All targets in OG5_126768
Trypanosoma congolense apurinic/apyrimidinic endonuclease, putative Get druggable targets OG5_126768 All targets in OG5_126768
Trypanosoma brucei gambiense apurinic/apyrimidinic endonuclease, putative Get druggable targets OG5_126768 All targets in OG5_126768
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_129301 All targets in OG5_129301
Echinococcus multilocularis inositol monophosphatase 1 Get druggable targets OG5_126810 All targets in OG5_126810
Schistosoma mansoni mixed-lineage leukemia protein mll Get druggable targets OG5_130642 All targets in OG5_130642
Leishmania donovani apurinic/apyrimidinic endonuclease-redox protein Get druggable targets OG5_126768 All targets in OG5_126768
Echinococcus granulosus neuropeptide s receptor Get druggable targets OG5_136011 All targets in OG5_136011
Schistosoma mansoni ap endonuclease Get druggable targets OG5_126768 All targets in OG5_126768
Candida albicans similar to S. cerevisiae APN2 (YBL019W) DNA repair apurinic/apyrimidinic endonuclease Get druggable targets OG5_126768 All targets in OG5_126768
Toxoplasma gondii histone lysine methyltransferase SET1 Get druggable targets OG5_130642 All targets in OG5_130642
Cryptosporidium parvum conserved hypothetical protein Get druggable targets OG5_126768 All targets in OG5_126768
Candida albicans hypothetical protein Get druggable targets OG5_127055 All targets in OG5_127055
Brugia malayi Voltage-gated calcium channel, T-type, alpha subunit. C. elegans cca-1 ortholog Get druggable targets OG5_129328 All targets in OG5_129328
Schistosoma mansoni aminoadipate-semialdehyde dehydrogenase Get druggable targets OG5_129301 All targets in OG5_129301
Brugia malayi aminoadipate-semialdehyde dehydrogenase-phosphopantetheinyl transferase Get druggable targets OG5_129301 All targets in OG5_129301
Brugia malayi Inositol-1 Get druggable targets OG5_126810 All targets in OG5_126810
Schistosoma japonicum ko:K04632 guanine nucleotide binding protein (G protein), alpha stimulating, putative Get druggable targets OG5_131088 All targets in OG5_131088
Brugia malayi hypothetical protein Get druggable targets OG5_132837 All targets in OG5_132837
Plasmodium vivax AP endonuclease (DNA-[apurinic or apyrimidinic site] lyase), putative Get druggable targets OG5_126768 All targets in OG5_126768
Loa Loa (eye worm) GTP-binding regulatory protein Gs alpha-S chain Get druggable targets OG5_131088 All targets in OG5_131088
Brugia malayi GTP-binding regulatory protein Gs alpha-S chain, putative Get druggable targets OG5_131088 All targets in OG5_131088
Brugia malayi exodeoxyribonuclease III family protein Get druggable targets OG5_126768 All targets in OG5_126768
Echinococcus granulosus L aminoadipate semialdehyde Get druggable targets OG5_129301 All targets in OG5_129301
Trypanosoma brucei gambiense inositol-1(or 4)-monophosphatase 1, putative Get druggable targets OG5_126810 All targets in OG5_126810
Candida albicans cell wall mannoprotein glycosyl hydrolase whose expression increases in presence of galatose Get druggable targets OG5_127055 All targets in OG5_127055
Echinococcus multilocularis neuropeptide s receptor Get druggable targets OG5_136011 All targets in OG5_136011
Echinococcus granulosus guanine nucleotide binding protein Gs subunit Get druggable targets OG5_131088 All targets in OG5_131088
Trypanosoma cruzi myo-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
Echinococcus granulosus dnaJ subfamily B Get druggable targets OG5_133913 All targets in OG5_133913
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_132837 All targets in OG5_132837
Toxoplasma gondii exonuclease III APE Get druggable targets OG5_126768 All targets in OG5_126768
Plasmodium yoelii putative AP endonuclease-related Get druggable targets OG5_126768 All targets in OG5_126768
Brugia malayi Glycosyl hydrolases family 31 protein Get druggable targets OG5_127055 All targets in OG5_127055
Echinococcus multilocularis neuropeptide receptor A26 Get druggable targets OG5_136011 All targets in OG5_136011
Trichomonas vaginalis ap endonuclease, putative Get druggable targets OG5_126768 All targets in OG5_126768
Loa Loa (eye worm) glycosyl hydrolase family 31 protein Get druggable targets OG5_127055 All targets in OG5_127055
Schistosoma japonicum DNA-(apurinic or apyrimidinic site) lyase 2, putative Get druggable targets OG5_126768 All targets in OG5_126768
Echinococcus granulosus neuropeptide receptor A26 Get druggable targets OG5_136011 All targets in OG5_136011
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
Schistosoma japonicum ko:K10771 AP endonuclease 1, putative Get druggable targets OG5_126768 All targets in OG5_126768
Leishmania infantum apurinic/apyrimidinic endonuclease-redox protein Get druggable targets OG5_126768 All targets in OG5_126768
Plasmodium berghei AP endonuclease (DNA-[apurinic or apyrimidinic site] lyase), putative Get druggable targets OG5_126768 All targets in OG5_126768
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
Schistosoma japonicum expressed protein Get druggable targets OG5_129301 All targets in OG5_129301
Leishmania major apurinic/apyrimidinic endonuclease-redox protein Get druggable targets OG5_126768 All targets in OG5_126768
Cryptosporidium parvum phosphopantetheinyl transferase Get druggable targets OG5_129301 All targets in OG5_129301
Trypanosoma cruzi myo-inositol-1(or 4)-monophosphatase 1, putative Get druggable targets OG5_126810 All targets in OG5_126810
Mycobacterium ulcerans exodeoxyribonuclease III protein XthA Get druggable targets OG5_126768 All targets in OG5_126768
Treponema pallidum exodeoxyribonuclease (exoA) Get druggable targets OG5_126768 All targets in OG5_126768
Leishmania donovani myo-inositol-1(or 4)-monophosphatase 1, putative Get druggable targets OG5_126810 All targets in OG5_126810
Trichomonas vaginalis conserved hypothetical protein Get druggable targets OG5_129328 All targets in OG5_129328
Onchocerca volvulus Huntingtin homolog Get druggable targets OG5_132837 All targets in OG5_132837
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
Leishmania braziliensis myo-inositol-1(or 4)-monophosphatase 1, putative Get druggable targets OG5_126810 All targets in OG5_126810
Cryptosporidium hominis proteinx0005 Get druggable targets OG5_129301 All targets in OG5_129301
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
Dictyostelium discoideum 3',5'-bisphosphate nucleotidase Inositol monophosphatase 1   277 aa 230 aa 25.2 %
Trichomonas vaginalis conserved hypothetical protein 4'-phosphopantetheinyl transferase ffp   224 aa 197 aa 22.3 %
Brugia malayi Inositol monophosphatase family protein Inositol monophosphatase 1   277 aa 238 aa 21.8 %
Trypanosoma congolense inositol-1(or 4)-monophosphatase, putative Inositol monophosphatase 1   277 aa 304 aa 28.9 %
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 %
Trichomonas vaginalis inositol monophosphatase, putative Inositol monophosphatase 1   277 aa 268 aa 22.4 %
Trypanosoma brucei gambiense inositol-1(or 4)-monophosphatase, putative Inositol monophosphatase 1   277 aa 309 aa 27.8 %
Entamoeba histolytica 3(2),5-bisphosphate nucleotidase, putative Inositol monophosphatase 1   277 aa 287 aa 22.3 %
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 inositol polyphosphate 1-phosphatase, putative Inositol monophosphatase 1   277 aa 291 aa 23.7 %
Onchocerca volvulus Putative 28S ribosomal protein S10, mitochondrial Inositol monophosphatase 1   277 aa 271 aa 46.1 %
Trypanosoma cruzi myo-inositol-1 phosphatase, putative Inositol monophosphatase 1   277 aa 284 aa 30.6 %
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 %
Loa Loa (eye worm) hypothetical protein Inositol monophosphatase 1   277 aa 298 aa 23.8 %
Schistosoma mansoni GTP-binding protein alpha subunit gna GNAS complex locus 394 aa 450 aa 28.7 %
Onchocerca volvulus 4'-phosphopantetheinyl transferase ffp   224 aa 186 aa 26.3 %
Entamoeba histolytica 3(2),5-bisphosphate nucleotidase, putative Inositol monophosphatase 1   277 aa 263 aa 24.0 %
Onchocerca volvulus Inositol monophosphatase 1   277 aa 238 aa 22.7 %
Loa Loa (eye worm) pigment dispersing factor receptor c glucagon-like peptide 1 receptor 463 aa 388 aa 25.8 %
Trichomonas vaginalis diphosphonucleoside phosphohydrolase, putative Inositol monophosphatase 1   277 aa 263 aa 21.7 %
Trichomonas vaginalis inositol monophosphatase, putative Inositol monophosphatase 1   277 aa 258 aa 21.7 %
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 %
Dictyostelium discoideum 3',5'-bisphosphate nucleotidase 1 Inositol monophosphatase 1   277 aa 275 aa 22.2 %
Onchocerca volvulus Putative trans-2-enoyl-CoA reductase 1, mitochondrial Inositol monophosphatase 1   277 aa 278 aa 23.0 %
Trichomonas vaginalis myo inositol monophosphatase, putative Inositol monophosphatase 1   277 aa 276 aa 21.4 %
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 %
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 aminoadipate-semialdehyde dehydrogenase small subunit 4'-phosphopantetheinyl transferase ffp   224 aa 183 aa 27.3 %
Entamoeba histolytica hypothetical protein 4'-phosphopantetheinyl transferase ffp   224 aa 198 aa 28.3 %
Candida albicans aminoadipate-semialdehyde dehydrogenase small subunit 4'-phosphopantetheinyl transferase ffp   224 aa 183 aa 27.3 %
Obtained from network model

Ranking Plot

Putative Targets List

Species Potential target Raw Global Species
Echinococcus multilocularis neutral alpha glucosidase AB 0.0044 0.0537 0.0637
Echinococcus multilocularis cpg binding protein 0.0037 0.043 0.051
Echinococcus multilocularis dnaJ subfamily B 0.0494 0.744 0.8827
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0055 0.0715 0.0848
Loa Loa (eye worm) hypothetical protein 0.0041 0.0499 0.1495
Schistosoma mansoni alpha-glucosidase 0.0169 0.2464 0.3312
Echinococcus granulosus GPCR family 2 0.0019 0.016 0.019
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0055 0.0715 0.0848
Loa Loa (eye worm) inositol-1 0.0045 0.0552 0.1665
Brugia malayi Calcitonin receptor-like protein seb-1 0.006 0.0791 0.1056
Leishmania major alpha glucosidase II subunit, putative 0.0044 0.0537 0.1668
Schistosoma mansoni mixed-lineage leukemia protein mll 0.0074 0.0996 0.1338
Echinococcus granulosus diuretic hormone 44 receptor GPRdih2 0.0019 0.016 0.019
Brugia malayi Glycosyl hydrolases family 31 protein 0.0197 0.2884 0.3962
Onchocerca volvulus 0.0035 0.04 0.0286
Schistosoma mansoni inositol monophosphatase 0.0045 0.0552 0.0742
Schistosoma mansoni hypothetical protein 0.0019 0.016 0.0215
Mycobacterium ulcerans 4'-phosphopantetheinyl transferase 0.0028 0.0301 0.2525
Mycobacterium ulcerans extragenic suppressor protein SuhB 0.0045 0.0552 1
Schistosoma mansoni cpg binding protein 0.0037 0.043 0.0578
Brugia malayi Voltage-gated calcium channel, T-type, alpha subunit. C. elegans cca-1 ortholog 0.0214 0.3151 0.4334
Entamoeba histolytica myo-inositol monophosphatase, putative 0.0045 0.0552 1
Mycobacterium tuberculosis Inositol-1-monophosphatase SuhB 0.004 0.048 1
Echinococcus granulosus cadherin EGF LAG seven pass G type receptor 0.0019 0.016 0.019
Brugia malayi Telomerase reverse transcriptase 0.048 0.7233 1
Echinococcus multilocularis neuropeptide s receptor 0.0558 0.8428 1
Schistosoma mansoni hypothetical protein 0.0494 0.744 1
Loa Loa (eye worm) hypothetical protein 0.0016 0.0117 0.0272
Entamoeba histolytica exodeoxyribonuclease III, putative 0.0023 0.0216 0.2276
Trichomonas vaginalis myo inositol monophosphatase, putative 0.0045 0.0552 0.1476
Toxoplasma gondii RNA-directed DNA polymerase 0.0181 0.2635 1
Onchocerca volvulus Huntingtin homolog 0.0148 0.2136 0.2043
Trichomonas vaginalis myo inositol monophosphatase, putative 0.0045 0.0552 0.1476
Schistosoma mansoni hypothetical protein 0.0019 0.016 0.0215
Mycobacterium tuberculosis holo-[acyl-carrier protein] synthase AcpS (holo-ACP synthase) (CoA:APO-[ACP]pantetheinephosphotransferase) (CoA:APO-[acyl-carrie 0.0028 0.0301 0.321
Schistosoma mansoni inositol monophosphatase 0.0045 0.0552 0.0742
Echinococcus granulosus cpg binding protein 0.0037 0.043 0.051
Loa Loa (eye worm) pigment dispersing factor receptor c 0.006 0.0791 0.2431
Echinococcus granulosus inositol monophosphatase 1 0.0045 0.0552 0.0655
Brugia malayi Glycosyl hydrolases family 31 protein 0.0044 0.0537 0.0704
Trichomonas vaginalis sucrase-isomaltase, putative 0.0044 0.0537 0.1426
Trypanosoma cruzi hypothetical protein, conserved 0.0044 0.0537 0.1668
Brugia malayi Glycosyl hydrolases family 31 protein 0.0016 0.0117 0.0121
Loa Loa (eye worm) hypothetical protein 0.0214 0.3151 1
Brugia malayi calcium-independent alpha-latrotoxin receptor 2, putative 0.0019 0.016 0.018
Onchocerca volvulus 0.0114 0.1612 0.1513
Brugia malayi hypothetical protein 0.0148 0.2136 0.2923
Echinococcus granulosus histone lysine N methyltransferase MLL3 0.0011 0.0032 0.0038
Wolbachia endosymbiont of Brugia malayi fructose-1,6-bisphosphatase 0.0045 0.0552 1
Schistosoma mansoni ap endonuclease 0.0023 0.0216 0.029
Plasmodium vivax telomerase reverse transcriptase, putative 0.0181 0.2635 1
Echinococcus granulosus lysosomal alpha glucosidase 0.0197 0.2884 0.3422
Trypanosoma brucei hypothetical protein, conserved 0.0028 0.0301 0.0729
Brugia malayi GTP-binding regulatory protein Gs alpha-S chain, putative 0.0055 0.0715 0.095
Echinococcus granulosus L aminoadipate semialdehyde 0.01 0.1407 0.1669
Loa Loa (eye worm) exodeoxyribonuclease III family protein 0.0023 0.0216 0.0589
Plasmodium falciparum telomerase reverse transcriptase 0.0181 0.2635 1
Toxoplasma gondii 4'-phosphopantetheinyl transferase domain-containing protein 0.0028 0.0301 0.035
Trichomonas vaginalis conserved hypothetical protein 0.0208 0.3062 1
Entamoeba histolytica glycosyl hydrolase, family 31 protein 0.0044 0.0537 0.9666
Echinococcus granulosus DNA apurinic or apyrimidinic site lyase 0.0023 0.0216 0.0256
Trypanosoma cruzi myo-inositol-1(or 4)-monophosphatase 1, putative 0.0045 0.0552 0.1725
Mycobacterium ulcerans phosphopantetheinyl transferase, PptII 0.0028 0.0301 0.2525
Trichomonas vaginalis neutral alpha-glucosidase ab precursor, putative 0.0044 0.0537 0.1426
Trypanosoma cruzi apurinic/apyrimidinic endonuclease, putative 0.0023 0.0216 0.0393
Schistosoma mansoni hypothetical protein 0.0205 0.3005 0.4039
Echinococcus multilocularis GPCR, family 2 0.0019 0.016 0.019
Brugia malayi CXXC zinc finger family protein 0.0035 0.04 0.0513
Leishmania major phosphopantetheinyl transferase-like protein 0.0028 0.0301 0.0729
Brugia malayi Inositol-1 0.0045 0.0552 0.0724
Trichomonas vaginalis alpha-glucosidase, putative 0.0044 0.0537 0.1426
Giardia lamblia Telomerase catalytic subunit 0.0181 0.2635 1
Schistosoma mansoni hypothetical protein 0.0205 0.3005 0.4039
Echinococcus granulosus neutral alpha glucosidase AB 0.0044 0.0537 0.0637
Wolbachia endosymbiont of Brugia malayi 4'-phosphopantetheinyl transferase 0.0028 0.0301 0.2525
Loa Loa (eye worm) GTP-binding regulatory protein Gs alpha-S chain 0.0055 0.0715 0.2187
Echinococcus multilocularis histone lysine N methyltransferase MLL3 0.0011 0.0032 0.0038
Echinococcus multilocularis L aminoadipate semialdehyde 0.01 0.1407 0.1669
Trypanosoma cruzi telomerase reverse transcriptase, putative 0.0181 0.2635 1
Trichomonas vaginalis neutral alpha-glucosidase ab precursor, putative 0.0044 0.0537 0.1426
Plasmodium vivax holo-[acyl-carrier-protein] synthase, putative 0.0028 0.0301 0.035
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0055 0.0715 0.0848
Trichomonas vaginalis alpha-glucosidase, putative 0.0044 0.0537 0.1426
Loa Loa (eye worm) glycosyl hydrolase family 31 protein 0.0197 0.2884 0.9142
Toxoplasma gondii 4'-phosphopantetheinyl transferase superfamily protein 0.0028 0.0301 0.035
Loa Loa (eye worm) glycosyl hydrolase family 31 protein 0.0044 0.0537 0.1618
Echinococcus multilocularis cadherin EGF LAG seven pass G type receptor 0.0019 0.016 0.019
Loa Loa (eye worm) latrophilin receptor protein 2 0.0019 0.016 0.0409
Schistosoma mansoni ap endonuclease 0.0023 0.0216 0.029
Trichomonas vaginalis inositol monophosphatase, putative 0.0045 0.0552 0.1476
Loa Loa (eye worm) hypothetical protein 0.006 0.0791 0.2431
Trypanosoma brucei glucosidase, putative 0.0044 0.0537 0.1668
Schistosoma mansoni hypothetical protein 0.0019 0.016 0.0215
Echinococcus multilocularis lysosomal alpha glucosidase 0.0197 0.2884 0.3422
Schistosoma mansoni cpg binding protein 0.0035 0.04 0.0537
Entamoeba histolytica hypothetical protein 0.0028 0.0301 0.4226
Schistosoma mansoni hypothetical protein 0.0019 0.016 0.0215
Trichomonas vaginalis alpha-glucosidase, putative 0.0044 0.0537 0.1426
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.006 0.0791 0.1056
Leishmania major telomerase reverse transcriptase, putative 0.0181 0.2635 1
Brugia malayi aminoadipate-semialdehyde dehydrogenase-phosphopantetheinyl transferase 0.01 0.1407 0.1911
Leishmania major apurinic/apyrimidinic endonuclease-redox protein 0.0023 0.0216 0.0393
Echinococcus granulosus dnaJ subfamily B 0.0494 0.744 0.8827
Loa Loa (eye worm) hypothetical protein 0.0019 0.016 0.0409
Brugia malayi Latrophilin receptor protein 2 0.0019 0.016 0.018
Echinococcus multilocularis neuropeptide receptor A26 0.0558 0.8428 1
Echinococcus granulosus neuropeptide s receptor 0.0558 0.8428 1
Trypanosoma brucei telomerase reverse transcriptase 0.0181 0.2635 1
Entamoeba histolytica glycosyl hydrolase, family 31 protein 0.0044 0.0537 0.9666
Echinococcus granulosus neuropeptide receptor A26 0.0558 0.8428 1
Echinococcus multilocularis diuretic hormone 44 receptor GPRdih2 0.0019 0.016 0.019
Trichomonas vaginalis alpha-glucosidase, putative 0.0044 0.0537 0.1426
Brugia malayi exodeoxyribonuclease III family protein 0.0023 0.0216 0.0258
Echinococcus multilocularis geminin 0.0205 0.3005 0.3565
Trypanosoma cruzi apurinic/apyrimidinic endonuclease 0.0023 0.0216 0.0393
Trichomonas vaginalis ap endonuclease, putative 0.0023 0.0216 0.0336
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0055 0.0715 0.0961
Chlamydia trachomatis holo [acyl-carrier protein] synthase 0.0028 0.0301 0.5
Loa Loa (eye worm) hypothetical protein 0.01 0.1407 0.4407
Echinococcus multilocularis inositol monophosphatase 1 0.0045 0.0552 0.0655
Trypanosoma brucei inositol-1(or 4)-monophosphatase 1, putative 0.0045 0.0552 0.1725
Loa Loa (eye worm) hypothetical protein 0.0148 0.2136 0.6744
Loa Loa (eye worm) CXXC zinc finger family protein 0.0035 0.04 0.1177
Onchocerca volvulus Huntingtin homolog 0.0148 0.2136 0.2043
Echinococcus granulosus geminin 0.0205 0.3005 0.3565
Trypanosoma cruzi hypothetical protein, conserved 0.0044 0.0537 0.1668
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0055 0.0715 0.0848
Toxoplasma gondii glycosyl hydrolase, family 31 protein 0.0044 0.0537 0.1327
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0055 0.0715 0.0961
Echinococcus multilocularis lysosomal alpha glucosidase 0.0197 0.2884 0.3422
Treponema pallidum 4'-phosphopantetheinyl transferase 0.0028 0.0301 1
Schistosoma mansoni alpha glucosidase 0.0044 0.0537 0.0722
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0055 0.0715 0.0961
Schistosoma mansoni aminoadipate-semialdehyde dehydrogenase 0.01 0.1407 0.1891
Onchocerca volvulus 0.01 0.1407 0.1305
Leishmania major myo-inositol-1(or 4)-monophosphatase 1, putative 0.0045 0.0552 0.1725
Schistosoma mansoni hypothetical protein 0.0041 0.0499 0.067
Toxoplasma gondii histone lysine methyltransferase SET1 0.0066 0.0875 0.2724
Brugia malayi latrophilin 2 splice variant baaae 0.0041 0.0499 0.065
Trichomonas vaginalis ap endonuclease, putative 0.0023 0.0216 0.0336
Trichomonas vaginalis maltase-glucoamylase, putative 0.0044 0.0537 0.1426
Schistosoma mansoni cpg binding protein 0.0037 0.043 0.0578
Trypanosoma cruzi myo-inositol-1(or 4)-monophosphatase 1, putative 0.0045 0.0552 0.1725
Plasmodium falciparum holo-[acyl-carrier-protein] synthase, putative 0.0028 0.0301 0.035
Echinococcus multilocularis DNA (apurinic or apyrimidinic site) lyase 0.0023 0.0216 0.0256
Trichomonas vaginalis alpha-glucosidase, putative 0.0044 0.0537 0.1426
Loa Loa (eye worm) hypothetical protein 0.0148 0.2136 0.6744
Mycobacterium leprae possible inositol monophosphatase SubH (IMPase) (inositol-1-phosphatase) (I-1-Pase ). 0.004 0.048 1
Toxoplasma gondii inositol(myo)-1(or 4)-monophosphatase 2, putative 0.0045 0.0552 0.1387
Trypanosoma brucei apurinic/apyrimidinic endonuclease, putative 0.0023 0.0216 0.0393
Trypanosoma cruzi telomerase reverse transcriptase, putative 0.0181 0.2635 1
Schistosoma mansoni alpha-glucosidase 0.0169 0.2464 0.3312

Activities

Activity type Activity value Assay description Source Reference
EC50 (functional) 4.98 uM PUBCHEM_BIOASSAY: Inhibitors of T-Type Calcium Channel. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID449739, AID463087, AID493021, AID493022, AID493023, AID493041, AID504579, AID504584, AID504619, AID504628] ChEMBL. No reference
Potency (functional) 1.6353 uM PUBCHEM_BIOASSAY: qHTS for Inhibitors of binding or entry into cells for Lassa Virus. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID463114, AID540249] ChEMBL. No reference
Potency (functional) 5.0119 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) = 5.6234 um PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors Targeting the Menin-MLL Interaction in MLL Related Leukemias: Competition With Texas Red Labeled MLL-derived Mutant Peptide. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) = 5.6234 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) = 5.6234 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) 9.285 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 Antagonists of the Neuropeptide S Receptor: cAMP Signal Transduction. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 11.2202 uM PubChem BioAssay. qHTS of GLP-1 Receptor Inverse Agonists (Inhibition Mode). (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) = 15.8489 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) 15.8489 uM PubChem BioAssay. qHTS Assay for Inhibitors of the Human Apurinic/apyrimidinic Endonuclease 1 (APE1). (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) = 17.7828 um PUBCHEM_BIOASSAY: qHTS Fluorescence Polarization Assay for Inhibitors of MLL CXXC domain - DNA interaction. (Class of assay: confirmatory) [Related pubchem assays: 2698 (Summary assay.)] ChEMBL. No reference
Potency (functional) 18.3564 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) = 19.9526 um PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of Bacillus subtilis Sfp phosphopantetheinyl transferase (PPTase). (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 20.5962 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) 25.1189 uM PubChem BioAssay. qHTS for Antagonists of gsp, the Etiologic Mutation Responsible for Fibrous Dysplasia/McCune-Albright Syndrome: qHTS. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 25.929 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) = 31.6228 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) 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 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) 35.4813 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

Phenotypes

Whole-cell/tissue/organism interactions

Species name Source Reference Is orphan
Homo sapiens ChEMBL23
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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