Detailed information for compound 1307489

Basic information

Technical information
  • TDR Targets ID: 1307489
  • Name: (4-ethylpiperazin-1-yl)-[5-phenyl-7-(trifluor omethyl)pyrazolo[1,5-a]pyrimidin-2-yl]methano ne
  • MW: 403.401 | Formula: C20H20F3N5O
  • H donors: 0 H acceptors: 3 LogP: 2.88 Rotable bonds: 5
    Rule of 5 violations (Lipinski): 1
  • SMILES: CCN1CCN(CC1)C(=O)c1cc2n(n1)c(cc(n2)c1ccccc1)C(F)(F)F
  • InChi: 1S/C20H20F3N5O/c1-2-26-8-10-27(11-9-26)19(29)16-13-18-24-15(14-6-4-3-5-7-14)12-17(20(21,22)23)28(18)25-16/h3-7,12-13H,2,8-11H2,1H3
  • InChiKey: AVKYYNBEIMEXIH-UHFFFAOYSA-N  


Substructure search Similarity search

Network

Hover on a compound node to display the structore

Synonyms

  • (4-ethyl-1-piperazinyl)-[5-phenyl-7-(trifluoromethyl)-2-pyrazolo[1,5-a]pyrimidinyl]methanone
  • 2-[(4-ethyl-1-piperazinyl)carbonyl]-5-phenyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine
  • MLS000052145
  • SMR000081496
  • STK340529

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Homo sapiens lysine (K)-specific demethylase 4E Starlite/ChEMBL No references
Homo sapiens GNAS complex locus Starlite/ChEMBL No references
Homo sapiens hydroxyprostaglandin dehydrogenase 15-(NAD) Starlite/ChEMBL No references
Rattus norvegicus Inositol monophosphatase 1 Starlite/ChEMBL No references

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
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
Leishmania mexicana myo-inositol-1(or 4)-monophosphatase 1, putative Get druggable targets OG5_126810 All targets in OG5_126810
Trypanosoma brucei gambiense inositol-1(or 4)-monophosphatase 1, putative 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
Entamoeba histolytica myo-inositol monophosphatase, putative Get druggable targets OG5_126810 All targets in OG5_126810
Trichomonas vaginalis inositol monophosphatase, putative Get druggable targets OG5_126810 All targets in OG5_126810
Toxoplasma gondii inositol(myo)-1(or 4)-monophosphatase 2, putative Get druggable targets OG5_126810 All targets in OG5_126810
Echinococcus multilocularis inositol monophosphatase 1 Get druggable targets OG5_126810 All targets in OG5_126810
Wolbachia endosymbiont of Brugia malayi fructose-1,6-bisphosphatase Get druggable targets OG5_126810 All targets in OG5_126810
Leishmania donovani myo-inositol-1(or 4)-monophosphatase 1, putative Get druggable targets OG5_126810 All targets in OG5_126810
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) Get druggable targets OG5_131088 All targets in OG5_131088
Mycobacterium leprae possible inositol monophosphatase SubH (IMPase) (inositol-1-phosphatase) (I-1-Pase ). 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
Loa Loa (eye worm) inositol-1 Get druggable targets OG5_126810 All targets in OG5_126810
Schistosoma mansoni inositol monophosphatase Get druggable targets OG5_126810 All targets in OG5_126810
Mycobacterium ulcerans extragenic suppressor protein SuhB Get druggable targets OG5_126810 All targets in OG5_126810
Echinococcus granulosus guanine nucleotide binding protein Gs subunit Get druggable targets OG5_131088 All targets in OG5_131088
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit Get druggable targets OG5_131088 All targets in OG5_131088
Echinococcus granulosus guanine nucleotide binding protein Gs subunit Get druggable targets OG5_131088 All targets in OG5_131088
Echinococcus granulosus inositol monophosphatase 1 Get druggable targets OG5_126810 All targets in OG5_126810
Schistosoma mansoni inositol monophosphatase Get druggable targets OG5_126810 All targets in OG5_126810
Leishmania major myo-inositol-1(or 4)-monophosphatase 1, 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
Neospora caninum hypothetical protein 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
Loa Loa (eye worm) GTP-binding regulatory protein Gs alpha-S chain Get druggable targets OG5_131088 All targets in OG5_131088
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) Get druggable targets OG5_131088 All targets in OG5_131088
Trypanosoma congolense inositol-1(or 4)-monophosphatase 1, putative 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
Trypanosoma brucei inositol-1(or 4)-monophosphatase 1, putative 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
Brugia malayi Inositol-1 Get druggable targets OG5_126810 All targets in OG5_126810
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 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 guanine nucleotide binding protein G(s) subunit 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
By sequence similarity to non orthologous known druggable targets
Species Potential target Known druggable target Length Alignment span Identity
Schistosoma mansoni GTP-binding protein alpha subunit gna GNAS complex locus 394 aa 450 aa 28.7 %
Dictyostelium discoideum 3',5'-bisphosphate nucleotidase Inositol monophosphatase 1   277 aa 230 aa 25.2 %
Trichomonas vaginalis inositol monophosphatase, putative Inositol monophosphatase 1   277 aa 268 aa 22.4 %
Trypanosoma cruzi inositol polyphosphate 1-phosphatase, putative Inositol monophosphatase 1   277 aa 291 aa 23.7 %
Plasmodium falciparum steroid dehydrogenase, putative hydroxyprostaglandin dehydrogenase 15-(NAD) 266 aa 216 aa 22.2 %
Brugia malayi Inositol monophosphatase family protein Inositol monophosphatase 1   277 aa 238 aa 21.8 %
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 %
Trypanosoma brucei gambiense inositol-1(or 4)-monophosphatase, putative Inositol monophosphatase 1   277 aa 309 aa 27.8 %
Loa Loa (eye worm) hypothetical protein Inositol monophosphatase 1   277 aa 298 aa 23.8 %
Trichomonas vaginalis inositol monophosphatase, putative Inositol monophosphatase 1   277 aa 258 aa 21.7 %
Entamoeba histolytica 3(2),5-bisphosphate nucleotidase, putative Inositol monophosphatase 1   277 aa 287 aa 22.3 %
Onchocerca volvulus Inositol monophosphatase 1   277 aa 238 aa 22.7 %
Schistosoma japonicum ko:K01082 3'(2'), 5'-bisphosphate nucleotidase [EC3.1.3.7], putative Inositol monophosphatase 1   277 aa 275 aa 21.5 %
Trichomonas vaginalis diphosphonucleoside phosphohydrolase, putative Inositol monophosphatase 1   277 aa 263 aa 21.7 %
Trichomonas vaginalis myo inositol monophosphatase, putative Inositol monophosphatase 1   277 aa 276 aa 21.4 %
Trypanosoma brucei inositol-1(or 4)-monophosphatase, putative Inositol monophosphatase 1   277 aa 304 aa 27.3 %
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 306 aa 22.5 %
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 300 aa 22.0 %
Entamoeba histolytica 3(2),5-bisphosphate nucleotidase, putative Inositol monophosphatase 1   277 aa 263 aa 24.0 %
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 %
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 %
Obtained from network model

Ranking Plot

Putative Targets List

Species Potential target Raw Global Species
Brugia malayi CXXC zinc finger family protein 0.0031 0.0302 0.1144
Loa Loa (eye worm) jmjC domain-containing protein 0.0019 0.0165 0.0627
Loa Loa (eye worm) hypothetical protein 0.0016 0.0128 0.0485
Trichomonas vaginalis conserved hypothetical protein 0.0007 0.0026 0.0571
Loa Loa (eye worm) hypothetical protein 0.0033 0.0329 0.1245
Mycobacterium leprae Probable inosine-5'-monophosphate dehydrogenase GuaB3 (IMP dehydrogenase 2) (inosinic acid dehydrogenase) (inosinate dehydrogena 0.0128 0.143 0.549
Schistosoma mansoni jumonji domain containing protein 0.0071 0.077 0.2955
Brugia malayi jmjC domain containing protein 0.0019 0.0165 0.0627
Echinococcus granulosus histone lysine N methyltransferase MLL3 0.0009 0.0056 0.0108
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0055 0.0587 0.2252
Echinococcus multilocularis musashi 0.0033 0.0324 0.0324
Echinococcus granulosus geminin 0.0181 0.2047 0.3936
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0055 0.0587 0.2252
Trypanosoma cruzi inosine-5'-monophosphate dehydrogenase, putative 0.0229 0.2605 1
Echinococcus multilocularis inositol monophosphatase 1 0.0045 0.0463 0.0463
Schistosoma mansoni hypothetical protein 0.0181 0.2047 0.7858
Schistosoma mansoni jumonji/arid domain-containing protein 0.0073 0.079 0.3033
Echinococcus multilocularis phd:f box containing protein 0.0019 0.0165 0.0165
Entamoeba histolytica exodeoxyribonuclease III, putative 0.0019 0.0167 0.3612
Loa Loa (eye worm) latrophilin receptor protein 2 0.0015 0.0123 0.0466
Schistosoma mansoni hypothetical protein 0.0015 0.0123 0.0472
Trichomonas vaginalis myo inositol monophosphatase, putative 0.0045 0.0463 1
Mycobacterium tuberculosis Probable exodeoxyribonuclease III protein XthA (exonuclease III) (EXO III) (AP endonuclease VI) 0.0019 0.0167 0.0642
Schistosoma mansoni hypothetical protein 0.0015 0.0123 0.0472
Mycobacterium leprae Probable inosine-5'-monophosphate dehydrogenase GuaB2 (IMP dehydrogenase) (IMPDH) (IMPD) 0.0229 0.2605 1
Brugia malayi jmjC domain containing protein 0.0073 0.079 0.2993
Schistosoma mansoni cpg binding protein 0.0032 0.0322 0.1237
Trichomonas vaginalis conserved hypothetical protein 0.0007 0.0026 0.0571
Trichomonas vaginalis chromodomain-helicase-DNA-binding protein, putative 0.0007 0.0026 0.0571
Trichomonas vaginalis chromodomain helicase DNA binding protein, putative 0.0007 0.0026 0.0571
Echinococcus multilocularis histone lysine N methyltransferase MLL3 0.0009 0.0056 0.0056
Mycobacterium ulcerans extragenic suppressor protein SuhB 0.0045 0.0463 0.1778
Echinococcus granulosus diuretic hormone 44 receptor GPRdih2 0.0015 0.0123 0.0237
Loa Loa (eye worm) hypothetical protein 0.018 0.2038 0.7722
Schistosoma mansoni jumonji/arid domain-containing protein 0.0073 0.079 0.3033
Echinococcus multilocularis muscleblind protein 0.018 0.2038 0.2038
Mycobacterium tuberculosis Inositol-1-monophosphatase SuhB 0.004 0.0409 0.157
Mycobacterium ulcerans inosine 5-monophosphate dehydrogenase 0.0101 0.1121 0.4302
Onchocerca volvulus 0.0033 0.0324 0.2888
Loa Loa (eye worm) hypothetical protein 0.0048 0.0506 0.1917
Trypanosoma brucei apurinic/apyrimidinic endonuclease, putative 0.0019 0.0167 0.0642
Schistosoma mansoni hypothetical protein 0.0047 0.0495 0.1901
Onchocerca volvulus 0.0033 0.0324 0.2888
Loa Loa (eye worm) exodeoxyribonuclease III family protein 0.0019 0.0167 0.0634
Schistosoma mansoni mixed-lineage leukemia protein mll 0.0008 0.0034 0.0131
Trichomonas vaginalis chromodomain helicase DNA binding protein, putative 0.0007 0.0026 0.0571
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0055 0.0587 0.2252
Trichomonas vaginalis conserved hypothetical protein 0.0007 0.0026 0.0571
Echinococcus granulosus cpg binding protein 0.0032 0.0322 0.062
Onchocerca volvulus 0.0031 0.0302 0.2694
Brugia malayi Iron-sulfur cluster assembly accessory protein 0.0047 0.0495 0.1876
Echinococcus granulosus lamin 0.0033 0.0324 0.0622
Schistosoma mansoni hypothetical protein 0.0181 0.2047 0.7858
Plasmodium falciparum inosine-5'-monophosphate dehydrogenase 0.0229 0.2605 1
Schistosoma mansoni cpg binding protein 0.0031 0.0302 0.1159
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0055 0.0587 0.0587
Echinococcus granulosus cytoplasmic intermediate filament protein 0.0016 0.0128 0.0246
Trypanosoma cruzi inosine-5'-monophosphate dehydrogenase, putative 0.0229 0.2605 1
Echinococcus multilocularis histone lysine N methyltransferase MLL3 0.0008 0.0034 0.0034
Trichomonas vaginalis chromodomain helicase DNA binding protein, putative 0.0007 0.0026 0.0571
Plasmodium falciparum AP endonuclease (DNA-[apurinic or apyrimidinic site] lyase), putative 0.0019 0.0167 0.0008
Echinococcus multilocularis mixed lineage leukemia protein mll 0.0008 0.0034 0.0034
Brugia malayi Muscleblind-like protein 0.018 0.2038 0.7722
Trypanosoma cruzi JmjC domain, hydroxylase, putative 0.0019 0.0165 0.0635
Loa Loa (eye worm) IMP dehydrogenase 1 0.0229 0.2605 0.9868
Trypanosoma brucei JmjC domain, hydroxylase, putative 0.0019 0.0165 0.0635
Leishmania major myo-inositol-1(or 4)-monophosphatase 1, putative 0.0045 0.0463 0.1778
Trichomonas vaginalis conserved hypothetical protein 0.0007 0.0026 0.0571
Schistosoma mansoni lamin 0.0033 0.0324 0.1242
Echinococcus multilocularis Transcription factor, JmjC domain containing protein 0.0071 0.077 0.077
Schistosoma mansoni inositol monophosphatase 0.0045 0.0463 0.1778
Echinococcus multilocularis cpg binding protein 0.0032 0.0322 0.0322
Mycobacterium ulcerans inosine 5'-monophosphate dehydrogenase 0.0229 0.2605 1
Trichomonas vaginalis ap endonuclease, putative 0.0019 0.0167 0.3612
Schistosoma mansoni hypothetical protein 0.0015 0.0123 0.0472
Schistosoma mansoni ap endonuclease 0.0019 0.0167 0.0642
Loa Loa (eye worm) hypothetical protein 0.0019 0.0165 0.0627
Wolbachia endosymbiont of Brugia malayi fructose-1,6-bisphosphatase 0.0045 0.0463 0.1214
Echinococcus multilocularis Jumonji, AT rich interactive domain 1B 0.0021 0.0186 0.0186
Echinococcus granulosus cadherin EGF LAG seven pass G type receptor 0.0015 0.0123 0.0237
Loa Loa (eye worm) hypothetical protein 0.0015 0.0121 0.0459
Toxoplasma gondii histone lysine methyltransferase SET1 0.0058 0.062 0.2382
Brugia malayi inosine-5'-monophosphate dehydrogenase 0.0101 0.1121 0.4245
Trichomonas vaginalis inositol monophosphatase, putative 0.0045 0.0463 1
Plasmodium vivax AP endonuclease (DNA-[apurinic or apyrimidinic site] lyase), putative 0.0019 0.0167 0.0008
Trichomonas vaginalis ap endonuclease, putative 0.0019 0.0167 0.3612
Loa Loa (eye worm) hypothetical protein 0.0033 0.0324 0.1226
Trypanosoma cruzi GMP reductase 0.0229 0.2605 1
Brugia malayi latrophilin 2 splice variant baaae 0.0033 0.0329 0.1245
Echinococcus multilocularis cadherin EGF LAG seven pass G type receptor 0.0015 0.0123 0.0123
Echinococcus granulosus muscleblind protein 0.018 0.2038 0.392
Toxoplasma gondii histone lysine demethylase JMJD6a 0.0019 0.0165 0.0635
Mycobacterium leprae PROBABLE INOSINE-5'-MONOPHOSPHATE DEHYDROGENASE GUAB1(IMP DEHYDROGENASE) (IMPDH) (IMPD) 0.0101 0.1121 0.4302
Leishmania major guanosine monophosphate reductase 0.0229 0.2605 1
Brugia malayi Inositol-1 0.0045 0.0463 0.1755
Loa Loa (eye worm) jmjC domain-containing protein 0.0019 0.0165 0.0627
Echinococcus granulosus survival motor neuron protein 1 0.0232 0.264 0.5076
Schistosoma mansoni protein phosphatase 2C 0.0019 0.0165 0.0635
Echinococcus granulosus neuropeptide s receptor 0.0453 0.52 1
Loa Loa (eye worm) hypothetical protein 0.0019 0.0165 0.0627
Echinococcus granulosus histone lysine N methyltransferase MLL3 0.0008 0.0034 0.0066
Echinococcus granulosus neuropeptide receptor A26 0.0453 0.52 1
Trypanosoma cruzi inosine-5'-monophosphate dehydrogenase, putative 0.0229 0.2605 1
Loa Loa (eye worm) hypothetical protein 0.0015 0.0121 0.0459
Echinococcus multilocularis neuropeptide receptor A26 0.0453 0.52 0.52
Schistosoma mansoni inositol monophosphatase 0.0045 0.0463 0.1778
Schistosoma mansoni jumonji domain containing protein 0.0019 0.0165 0.0635
Schistosoma mansoni survival motor neuron protein 0.0047 0.0495 0.1901
Trichomonas vaginalis chromodomain helicase DNA binding protein, putative 0.0007 0.0026 0.0571
Echinococcus multilocularis cytoplasmic intermediate filament protein 0.0016 0.0128 0.0128
Echinococcus multilocularis jumonji domain containing 1A 0.0019 0.0165 0.0165
Trichomonas vaginalis conserved hypothetical protein 0.0007 0.0026 0.0571
Loa Loa (eye worm) CXXC zinc finger family protein 0.0031 0.0302 0.1144
Brugia malayi inosine-5'-monophosphate dehydrogenase family protein 0.0229 0.2605 0.9868
Loa Loa (eye worm) intermediate filament tail domain-containing protein 0.0033 0.0324 0.1226
Loa Loa (eye worm) GTP-binding regulatory protein Gs alpha-S chain 0.0055 0.0587 0.2222
Echinococcus granulosus mixed lineage leukemia protein mll 0.0008 0.0034 0.0066
Trichomonas vaginalis conserved hypothetical protein 0.0007 0.0026 0.0571
Trichomonas vaginalis myo inositol monophosphatase, putative 0.0045 0.0463 1
Schistosoma mansoni mixed-lineage leukemia protein mll 0.0065 0.0701 0.2691
Brugia malayi jmjC domain containing protein 0.0019 0.0165 0.0627
Brugia malayi GMP reductase 0.0101 0.1121 0.4245
Trypanosoma brucei inositol-1(or 4)-monophosphatase 1, putative 0.0045 0.0463 0.1778
Trypanosoma cruzi myo-inositol-1(or 4)-monophosphatase 1, putative 0.0045 0.0463 0.1778
Schistosoma mansoni phosphatidylserine receptor 0.0019 0.0165 0.0635
Schistosoma mansoni ubiquitously transcribed sex (X/Y) chromosome tetratricopeptide repeat protein-related 0.0019 0.0165 0.0635
Toxoplasma gondii IMP dehydrogenas 0.0229 0.2605 1
Loa Loa (eye worm) hypothetical protein 0.018 0.2038 0.7722
Echinococcus multilocularis muscleblind protein 1 0.018 0.2038 0.2038
Trichomonas vaginalis conserved hypothetical protein 0.0007 0.0026 0.0571
Trichomonas vaginalis helicase, putative 0.0007 0.0026 0.0571
Mycobacterium ulcerans exodeoxyribonuclease III protein XthA 0.0019 0.0167 0.0642
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0055 0.0587 0.1128
Schistosoma mansoni ap endonuclease 0.0019 0.0167 0.0642
Wolbachia endosymbiont of Brugia malayi IMP dehydrogenase 0.0229 0.2605 1
Trypanosoma brucei inosine-5'-monophosphate dehydrogenase 0.0229 0.2605 1
Brugia malayi jmjC domain containing protein 0.0019 0.0165 0.0627
Echinococcus granulosus lysine specific demethylase 5A 0.0073 0.079 0.1519
Schistosoma mansoni hypothetical protein 0.0033 0.0329 0.1262
Leishmania major apurinic/apyrimidinic endonuclease-redox protein 0.0019 0.0167 0.0642
Mycobacterium tuberculosis Probable inosine-5'-monophosphate dehydrogenase GuaB3 (imp dehydrogenase) (inosinic acid dehydrogenase) (inosinate dehydrogenase 0.0128 0.143 0.549
Mycobacterium tuberculosis Probable inosine-5'-monophosphate dehydrogenase GuaB2 (imp dehydrogenase) (inosinic acid dehydrogenase) (inosinate dehydrogenase 0.0229 0.2605 1
Brugia malayi Intermediate filament tail domain containing protein 0.0033 0.0324 0.1226
Echinococcus granulosus Jumonji AT rich interactive domain 1B 0.0021 0.0186 0.0357
Toxoplasma gondii inositol(myo)-1(or 4)-monophosphatase 2, putative 0.0045 0.0463 0.1778
Echinococcus multilocularis inosine 5' monophosphate dehydrogenase 2 0.0229 0.2605 0.2605
Loa Loa (eye worm) pigment dispersing factor receptor c 0.0048 0.0506 0.1917
Echinococcus granulosus lysine specific demethylase 6a 0.0019 0.0165 0.0318
Trichomonas vaginalis chromodomain-helicase-DNA-binding protein, putative 0.0007 0.0026 0.0571
Echinococcus multilocularis lamin dm0 0.0033 0.0324 0.0324
Loa Loa (eye worm) inositol-1 0.0045 0.0463 0.1755
Echinococcus granulosus inosine 5' monophosphate dehydrogenase 2 0.0229 0.2605 0.5009
Echinococcus granulosus jumonji domain containing 1A 0.0019 0.0165 0.0318
Loa Loa (eye worm) intermediate filament protein 0.0033 0.0324 0.1226
Toxoplasma gondii histone lysine demethylase JMJC1/KDM5D/JARID1D 0.0019 0.0165 0.0635
Brugia malayi cytoplasmic intermediate filament protein 0.0017 0.0148 0.0561
Trypanosoma cruzi apurinic/apyrimidinic endonuclease 0.0019 0.0167 0.0642
Echinococcus multilocularis lamin 0.0033 0.0324 0.0324
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0055 0.0587 0.0587
Trichomonas vaginalis conserved hypothetical protein 0.0007 0.0026 0.0571
Echinococcus multilocularis GPCR, family 2 0.0015 0.0123 0.0123
Echinococcus granulosus GPCR family 2 0.0015 0.0123 0.0237
Trypanosoma brucei GMP reductase 0.0229 0.2605 1
Trichomonas vaginalis chromodomain helicase DNA binding protein, putative 0.0007 0.0026 0.0571
Trypanosoma cruzi myo-inositol-1(or 4)-monophosphatase 1, putative 0.0045 0.0463 0.1778
Trypanosoma cruzi GMP reductase 0.0229 0.2605 1
Entamoeba histolytica myo-inositol monophosphatase, putative 0.0045 0.0463 1
Loa Loa (eye worm) hypothetical protein 0.0015 0.0123 0.0466
Loa Loa (eye worm) jmjC domain-containing protein 0.0019 0.0165 0.0627
Treponema pallidum exodeoxyribonuclease (exoA) 0.0019 0.0167 0.5
Schistosoma mansoni cpg binding protein 0.0032 0.0322 0.1237
Onchocerca volvulus Putative GMP reductase 0.0101 0.1121 1
Brugia malayi jmjC domain containing protein 0.0019 0.0165 0.0627
Echinococcus multilocularis lysine specific demethylase 6a 0.0019 0.0165 0.0165
Trypanosoma cruzi apurinic/apyrimidinic endonuclease, putative 0.0019 0.0167 0.0642
Onchocerca volvulus 0.0047 0.0495 0.442
Schistosoma mansoni lamin 0.0033 0.0324 0.1242
Brugia malayi hypothetical protein 0.0232 0.264 1
Loa Loa (eye worm) histone methyltransferase 0.0009 0.0056 0.0212
Brugia malayi jmjC domain containing protein 0.0071 0.077 0.2916
Mycobacterium leprae possible inositol monophosphatase SubH (IMPase) (inositol-1-phosphatase) (I-1-Pase ). 0.004 0.0409 0.157
Trichomonas vaginalis conserved hypothetical protein 0.0007 0.0026 0.0571
Echinococcus multilocularis diuretic hormone 44 receptor GPRdih2 0.0015 0.0123 0.0123
Echinococcus granulosus DNA apurinic or apyrimidinic site lyase 0.0019 0.0167 0.0322
Schistosoma mansoni inosine-5-monophosphate dehydrogenase 0.0229 0.2605 1
Schistosoma mansoni hypothetical protein 0.0015 0.0123 0.0472
Trypanosoma cruzi JmjC domain, hydroxylase, putative 0.0019 0.0165 0.0635
Loa Loa (eye worm) jmjC domain-containing protein 0.0073 0.079 0.2993
Brugia malayi inosine-5'-monophosphate dehydrogenase 0.0101 0.1121 0.4245
Brugia malayi Calcitonin receptor-like protein seb-1 0.0048 0.0506 0.1917
Echinococcus granulosus inositol monophosphatase 1 0.0045 0.0463 0.0891
Echinococcus granulosus JmjC domain containing protein 4 0.0019 0.0165 0.0318
Loa Loa (eye worm) GMP reductase 0.0101 0.1121 0.4245
Brugia malayi Latrophilin receptor protein 2 0.0015 0.0123 0.0466
Mycobacterium ulcerans inosine 5-monophosphate dehydrogenase 0.0229 0.2605 1
Trichomonas vaginalis chromodomain helicase DNA binding protein, putative 0.0007 0.0026 0.0571
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0055 0.0587 0.1128
Schistosoma mansoni intermediate filament proteins 0.0033 0.0324 0.1242
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.0048 0.0506 0.1917
Echinococcus multilocularis JmjC domain containing protein 4 0.0019 0.0165 0.0165
Brugia malayi intermediate filament protein 0.0033 0.0324 0.1226
Brugia malayi F/Y-rich N-terminus family protein 0.0009 0.0055 0.0207
Echinococcus granulosus lamin dm0 0.0033 0.0324 0.0622
Brugia malayi exodeoxyribonuclease III family protein 0.0019 0.0167 0.0634
Brugia malayi calcium-independent alpha-latrotoxin receptor 2, putative 0.0015 0.0123 0.0466
Plasmodium vivax inosine-5'-monophosphate dehydrogenase, putative 0.0229 0.2605 1
Loa Loa (eye worm) cytoplasmic intermediate filament protein 0.0017 0.0148 0.0561
Chlamydia trachomatis 3'(2'),5'-bisphosphate nucleotidase CysQ 0.0005 0 0.5
Echinococcus multilocularis lysine specific demethylase 5A 0.0071 0.077 0.077
Leishmania major hypothetical protein, conserved 0.0019 0.0165 0.0635
Giardia lamblia Endonuclease/Exonuclease/phosphatase 0.0019 0.0167 1
Echinococcus multilocularis survival motor neuron protein 1 0.0232 0.264 0.264
Echinococcus granulosus phd:f box containing protein 0.0019 0.0165 0.0318
Echinococcus granulosus intermediate filament protein 0.0033 0.0324 0.0622
Echinococcus multilocularis neuropeptide s receptor 0.0453 0.52 0.52
Echinococcus multilocularis DNA (apurinic or apyrimidinic site) lyase 0.0019 0.0167 0.0167
Loa Loa (eye worm) hypothetical protein 0.0232 0.264 1
Toxoplasma gondii exonuclease III APE 0.0019 0.0167 0.0642
Echinococcus granulosus Transcription factor JmjC domain containing protein 0.0071 0.077 0.148
Loa Loa (eye worm) hypothetical protein 0.0019 0.0165 0.0627
Echinococcus multilocularis geminin 0.0181 0.2047 0.2047
Leishmania major inosine-5-monophosphate dehydrogenase 0.0229 0.2605 1
Schistosoma mansoni phd/f-box containing protein 0.0019 0.0165 0.0635
Brugia malayi GTP-binding regulatory protein Gs alpha-S chain, putative 0.0055 0.0587 0.2222
Loa Loa (eye worm) hypothetical protein 0.0032 0.0317 0.12

Activities

Activity type Activity value Assay description Source Reference
Potency (functional) = 4.4668 um PUBCHEM_BIOASSAY: qHTS Assay for Identifying the Cell-Membrane Permeable IMPase Inhibitors: Potentiation with Lithium. (Class of assay: confirmatory) [Related pubchem assays: 901 ] ChEMBL. No reference
Potency (functional) 12.5893 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) = 14.1254 um PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of HPGD (15-Hydroxyprostaglandin Dehydrogenase). (Class of assay: confirmatory) [Related pubchem assays: 2429 (Confirmation qHTS Assay for Inhibitors of HPGD (15-Hydroxyprostaglandin Dehydrogenase)), 2407 (Probe Development Summary for Inhibitors of HPGD (15-Hydroxyprostaglandin Dehydrogenase)), 2427 (Thermal Shift Assay for Inhibitors of HPGD (15-Hydroxyprostaglandin Dehydrogenase))] ChEMBL. No reference
Potency (functional) = 17.7828 um PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of Human Jumonji Domain Containing 2E (JMJD2E). (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 18.526 uM PUBCHEM_BIOASSAY: Primary qHTS for delayed death inhibitors of the malarial parasite plastid, 96 hour incubation. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID488745, AID488752, AID488774, AID504848, AID504850] ChEMBL. No reference
Potency (functional) = 28.1838 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) = 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 (binding) 39.8107 uM PubChem BioAssay. qHTS Assay for Inhibitors of MBNL1-poly(CUG) RNA binding. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 95.2834 uM PubChem BioAssay. qHTS Assay to Find Inhibitors of Pin1. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) = 100 um PUBCHEM_BIOASSAY: qHTS Inhibitors of AmpC Beta-Lactamase (assay with detergent). (Class of assay: confirmatory) [Related pubchem assays: 1002 (Confirmation Concentration-Response Assay for Inhibitors of AmpC Beta-Lactamase (assay with detergent)), 585 (Promiscuous and Specific Inhibitors of AmpC Beta-Lactamase (assay without detergent) - a screen old NIH MLSMR collection), 584 (Promiscuous and Specific Inhibitors of AmpC Beta-Lactamase (assay with detergent) - a screen of the old NIH MLSMR collection), 1003 (Confirmation Cuvette-Based Assay for Inhibitors of AmpC Beta-Lactamase (assay with detergent))] ChEMBL. No reference

Phenotypes

Whole-cell/tissue/organism interactions

Species name Source Reference Is orphan
Plasmodium falciparum ChEMBL23

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

Annotated phenotypes:

We have no manually annotated phenotypes for this drug. What does this mean? / Care to help?
In TDR Targets, information about phenotypes that are caused by drugs, or by genetic manipulation of cells (e.g. gene knockouts or knockdowns) is manually curated from the literature. These descriptions help to describe the potential of the target for drug development. If no information is available for this gene or if the information is incomplete, this may mean that i) the papers containing this information either appeared after the curation effort for this organism was carried out or they were inadvertently missed by curators; or that ii) the curation effort for this organism has not yet started.
 
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External resources for this compound

Bibliographic References

No literature references available for this target.

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