Detailed information for compound 1424947

Basic information

Technical information
  • TDR Targets ID: 1424947
  • Name: ZINC00421169
  • MW: 260.293 | Formula: C16H12N4
  • H donors: 0 H acceptors: 3 LogP: 3.89 Rotable bonds: 1
    Rule of 5 violations (Lipinski): 1
  • SMILES: Cc1cccc2c1nc(c1ccccc1)n1c2nnc1
  • InChi: 1S/C16H12N4/c1-11-6-5-9-13-14(11)18-15(12-7-3-2-4-8-12)20-10-17-19-16(13)20/h2-10H,1H3
  • InChiKey: BRAOGSLDBHJUMR-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

  • 7-Methyl-5-phenyl-[1,2,4]triazolo[4,3-c]quinazoline
  • MLS000030613
  • SMR000001813
  • ASN 02789970

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Homo sapiens glucagon-like peptide 1 receptor Starlite/ChEMBL No references
Rattus norvegicus Dual specificity tyrosine-phosphorylation-regulated kinase 1A Starlite/ChEMBL No references
Rattus norvegicus Inositol monophosphatase 1 Starlite/ChEMBL No references
Mus musculus RAR-related orphan receptor gamma Starlite/ChEMBL No references
Homo sapiens thyroid stimulating hormone receptor Starlite/ChEMBL No references
Homo sapiens TAR DNA binding protein Starlite/ChEMBL No references

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Schistosoma mansoni tar DNA-binding protein Get druggable targets OG5_132461 All targets in OG5_132461
Leishmania major serine/threonine-protein kinase, putative,protein kinase, putative Get druggable targets OG5_127901 All targets in OG5_127901
Entamoeba histolytica protein kinase, putative Get druggable targets OG5_127901 All targets in OG5_127901
Schistosoma mansoni tar DNA-binding protein Get druggable targets OG5_132461 All targets in OG5_132461
Toxoplasma gondii inositol(myo)-1(or 4)-monophosphatase 2, putative Get druggable targets OG5_126810 All targets in OG5_126810
Trypanosoma congolense serine/threonine-protein kinase, putative Get druggable targets OG5_127901 All targets in OG5_127901
Schistosoma mansoni inositol monophosphatase 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
Brugia malayi Inositol-1 Get druggable targets OG5_126810 All targets in OG5_126810
Trypanosoma cruzi CMGC/DYRK protein kinase, putative Get druggable targets OG5_127901 All targets in OG5_127901
Loa Loa (eye worm) follicle stimulating hormone receptor Get druggable targets OG5_130089 All targets in OG5_130089
Entamoeba histolytica hypothetical protein Get druggable targets OG5_127901 All targets in OG5_127901
Loa Loa (eye worm) inositol-1 Get druggable targets OG5_126810 All targets in OG5_126810
Schistosoma mansoni tar DNA-binding protein Get druggable targets OG5_132461 All targets in OG5_132461
Trypanosoma brucei gambiense serine/threonine-protein kinase, putative,protein kinase, putative Get druggable targets OG5_127901 All targets in OG5_127901
Loa Loa (eye worm) TAR-binding protein Get druggable targets OG5_132461 All targets in OG5_132461
Mycobacterium tuberculosis Inositol-1-monophosphatase SuhB Get druggable targets OG5_126810 All targets in OG5_126810
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_127901 All targets in OG5_127901
Leishmania infantum myo-inositol-1(or 4)-monophosphatase 1, putative Get druggable targets OG5_126810 All targets in OG5_126810
Leishmania braziliensis serine/threonine-protein kinase, putative,protein kinase, putative Get druggable targets OG5_127901 All targets in OG5_127901
Brugia malayi follicle stimulating hormone receptor Get druggable targets OG5_130089 All targets in OG5_130089
Trypanosoma brucei gambiense inositol-1(or 4)-monophosphatase 1, putative Get druggable targets OG5_126810 All targets in OG5_126810
Echinococcus granulosus tar DNA binding protein Get druggable targets OG5_132461 All targets in OG5_132461
Echinococcus multilocularis tar DNA binding protein Get druggable targets OG5_132461 All targets in OG5_132461
Schistosoma mansoni serine/threonine protein kinase Get druggable targets OG5_127901 All targets in OG5_127901
Wolbachia endosymbiont of Brugia malayi fructose-1,6-bisphosphatase Get druggable targets OG5_126810 All targets in OG5_126810
Entamoeba histolytica protein kinase domain containing protein Get druggable targets OG5_127901 All targets in OG5_127901
Schistosoma mansoni tar DNA-binding protein Get druggable targets OG5_132461 All targets in OG5_132461
Loa Loa (eye worm) RNA binding protein Get druggable targets OG5_132461 All targets in OG5_132461
Echinococcus multilocularis inositol monophosphatase 1 Get druggable targets OG5_126810 All targets in OG5_126810
Mycobacterium leprae possible inositol monophosphatase SubH (IMPase) (inositol-1-phosphatase) (I-1-Pase ). Get druggable targets OG5_126810 All targets in OG5_126810
Schistosoma mansoni tar DNA-binding protein Get druggable targets OG5_132461 All targets in OG5_132461
Trypanosoma cruzi CMGC/DYRK protein kinase, putative Get druggable targets OG5_127901 All targets in OG5_127901
Trypanosoma brucei CMGC/DYRK protein kinase, putative Get druggable targets OG5_127901 All targets in OG5_127901
Trypanosoma cruzi myo-inositol-1(or 4)-monophosphatase 1, putative Get druggable targets OG5_126810 All targets in OG5_126810
Echinococcus multilocularis dual specificity Get druggable targets OG5_127901 All targets in OG5_127901
Schistosoma japonicum expressed protein Get druggable targets OG5_127901 All targets in OG5_127901
Entamoeba histolytica myo-inositol monophosphatase, putative 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
Loa Loa (eye worm) CMGC/DYRK/DYRK1 protein kinase Get druggable targets OG5_127901 All targets in OG5_127901
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_127901 All targets in OG5_127901
Leishmania braziliensis myo-inositol-1(or 4)-monophosphatase 1, putative Get druggable targets OG5_126810 All targets in OG5_126810
Trichomonas vaginalis myo inositol monophosphatase, putative Get druggable targets OG5_126810 All targets in OG5_126810
Trichomonas vaginalis myo inositol monophosphatase, putative Get druggable targets OG5_126810 All targets in OG5_126810
Leishmania mexicana serine/threonine-protein kinase, putative,protein kinase, putative Get druggable targets OG5_127901 All targets in OG5_127901
Leishmania donovani serine/threonine-protein kinase, putative Get druggable targets OG5_127901 All targets in OG5_127901
Trypanosoma cruzi myo-inositol-1(or 4)-monophosphatase 1, putative Get druggable targets OG5_126810 All targets in OG5_126810
Loa Loa (eye worm) RNA recognition domain-containing protein domain-containing protein Get druggable targets OG5_132461 All targets in OG5_132461
Leishmania mexicana myo-inositol-1(or 4)-monophosphatase 1, putative Get druggable targets OG5_126810 All targets in OG5_126810
Trypanosoma congolense serine/threonine-protein kinase, putative Get druggable targets OG5_127901 All targets in OG5_127901
Brugia malayi RNA binding protein Get druggable targets OG5_132461 All targets in OG5_132461
Echinococcus granulosus dual specificity Get druggable targets OG5_127901 All targets in OG5_127901
Schistosoma japonicum TAR DNA-binding protein 43, putative Get druggable targets OG5_132461 All targets in OG5_132461
Schistosoma mansoni inositol monophosphatase Get druggable targets OG5_126810 All targets in OG5_126810
Leishmania infantum serine/threonine-protein kinase, putative,protein kinase, putative Get druggable targets OG5_127901 All targets in OG5_127901
Trichomonas vaginalis inositol monophosphatase, putative Get druggable targets OG5_126810 All targets in OG5_126810
Brugia malayi RNA recognition motif domain containing protein Get druggable targets OG5_132461 All targets in OG5_132461
Brugia malayi TAR-binding protein Get druggable targets OG5_132461 All targets in OG5_132461
Brugia malayi Protein kinase domain containing protein Get druggable targets OG5_127901 All targets in OG5_127901
Trypanosoma brucei inositol-1(or 4)-monophosphatase 1, putative Get druggable targets OG5_126810 All targets in OG5_126810
Schistosoma japonicum Serine/threonine-protein kinase minibrain, putative Get druggable targets OG5_127901 All targets in OG5_127901
Neospora caninum hypothetical protein 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
Echinococcus granulosus inositol monophosphatase 1 Get druggable targets OG5_126810 All targets in OG5_126810
Entamoeba histolytica protein kinase, putative Get druggable targets OG5_127901 All targets in OG5_127901
Schistosoma japonicum TAR DNA-binding protein 43, putative Get druggable targets OG5_132461 All targets in OG5_132461
Mycobacterium ulcerans extragenic suppressor protein SuhB 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
By sequence similarity to non orthologous known druggable targets
Species Potential target Known druggable target Length Alignment span Identity
Entamoeba histolytica 3(2),5-bisphosphate nucleotidase, putative Inositol monophosphatase 1   277 aa 263 aa 24.0 %
Loa Loa (eye worm) hypothetical protein Inositol monophosphatase 1   277 aa 298 aa 23.8 %
Trichomonas vaginalis myo inositol monophosphatase, putative Inositol monophosphatase 1   277 aa 276 aa 21.4 %
Trypanosoma cruzi myo-inositol-1 phosphatase, putative Inositol monophosphatase 1   277 aa 284 aa 30.6 %
Onchocerca volvulus Putative trans-2-enoyl-CoA reductase 1, mitochondrial Inositol monophosphatase 1   277 aa 278 aa 23.0 %
Trichomonas vaginalis diphosphonucleoside phosphohydrolase, putative Inositol monophosphatase 1   277 aa 263 aa 21.7 %
Trypanosoma brucei inositol-1(or 4)-monophosphatase, putative Inositol monophosphatase 1   277 aa 304 aa 27.3 %
Trypanosoma brucei gambiense inositol-1(or 4)-monophosphatase, putative Inositol monophosphatase 1   277 aa 309 aa 27.8 %
Dictyostelium discoideum 3',5'-bisphosphate nucleotidase 1 Inositol monophosphatase 1   277 aa 275 aa 22.2 %
Trypanosoma congolense inositol-1(or 4)-monophosphatase, putative Inositol monophosphatase 1   277 aa 304 aa 28.9 %
Schistosoma mansoni pap-inositol-14-phosphatase Inositol monophosphatase 1   277 aa 279 aa 22.9 %
Loa Loa (eye worm) pigment dispersing factor receptor c glucagon-like peptide 1 receptor 463 aa 388 aa 25.8 %
Candida albicans one of two closely related genes similar to S. cerevisiae MET22/HAL2 (YOL064C) bisphosphate-3'-nucleotidase, implicated in salt Inositol monophosphatase 1   277 aa 307 aa 22.5 %
Schistosoma japonicum ko:K01082 3'(2'), 5'-bisphosphate nucleotidase [EC3.1.3.7], putative Inositol monophosphatase 1   277 aa 275 aa 21.5 %
Dictyostelium discoideum 3',5'-bisphosphate nucleotidase Inositol monophosphatase 1   277 aa 230 aa 25.2 %
Trichomonas vaginalis inositol monophosphatase, putative Inositol monophosphatase 1   277 aa 258 aa 21.7 %
Onchocerca volvulus Inositol monophosphatase 1   277 aa 238 aa 22.7 %
Brugia malayi Inositol monophosphatase family protein Inositol monophosphatase 1   277 aa 238 aa 21.8 %
Onchocerca volvulus Putative 28S ribosomal protein S10, mitochondrial Inositol monophosphatase 1   277 aa 271 aa 46.1 %
Entamoeba histolytica 3(2),5-bisphosphate nucleotidase, putative Inositol monophosphatase 1   277 aa 287 aa 22.3 %
Trichomonas vaginalis inositol monophosphatase, putative Inositol monophosphatase 1   277 aa 268 aa 22.4 %
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 %
Trypanosoma cruzi inositol polyphosphate 1-phosphatase, putative Inositol monophosphatase 1   277 aa 291 aa 23.7 %
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 300 aa 22.0 %
Obtained from network model

Ranking Plot

Putative Targets List

Species Potential target Raw Global Species
Echinococcus multilocularis Smad4 0.0051 0.0542 0.1037
Plasmodium falciparum ATP-dependent Clp protease proteolytic subunit 0.0027 0.022 0.1547
Schistosoma mansoni smad1 5 8 and 0.0051 0.0542 0.1037
Entamoeba histolytica protein kinase, putative 0.0108 0.1322 0.3457
Echinococcus granulosus Smad4 0.0051 0.0542 0.1037
Leishmania major hypothetical protein, conserved 0.0024 0.0184 0.0153
Echinococcus granulosus mothers against decapentaplegic 5 0.0051 0.0542 0.1037
Schistosoma mansoni nuclear hormone receptor nor-1/nor-2 0.0012 0.0017 0.0032
Echinococcus granulosus GPCR family 2 0.0019 0.011 0.0211
Trypanosoma brucei CMGC/DYRK protein kinase, putative 0.0108 0.1322 0.2022
Schistosoma mansoni inositol monophosphatase 0.0045 0.0459 0.0879
Echinococcus multilocularis dual specificity 0.0108 0.1322 0.2531
Echinococcus multilocularis nuclear receptor 2DBD gamma 0.0012 0.0017 0.0032
Plasmodium vivax ataxin-2 like protein, putative 0.0024 0.0184 0.1123
Echinococcus multilocularis hepatocyte nuclear factor 4 alpha 0.0012 0.0017 0.0032
Trypanosoma brucei hypothetical protein, conserved 0.0463 0.6177 1
Mycobacterium tuberculosis Probable ATP-dependent CLP protease proteolytic subunit 2 ClpP2 (endopeptidase CLP 2) 0.0051 0.0553 0.9473
Brugia malayi mothers against decapentaplegic homolog 3 0.0023 0.0159 0.0143
Loa Loa (eye worm) hypothetical protein 0.0107 0.1314 0.13
Brugia malayi MH2 domain containing protein 0.0051 0.0542 0.0526
Brugia malayi MH1 domain containing protein 0.0028 0.0233 0.0216
Schistosoma mansoni tar DNA-binding protein 0.0393 0.5222 1
Loa Loa (eye worm) CMGC/DYRK/DYRK1 protein kinase 0.0108 0.1322 0.1307
Schistosoma mansoni retinoic acid receptor RXR 0.0012 0.0017 0.0032
Brugia malayi Calcitonin receptor-like protein seb-1 0.006 0.0672 0.0656
Echinococcus granulosus diuretic hormone 44 receptor GPRdih2 0.0019 0.011 0.0211
Loa Loa (eye worm) inositol-1 0.0045 0.0459 0.0443
Schistosoma mansoni hypothetical protein 0.0227 0.2954 0.5657
Brugia malayi hypothetical protein 0.0227 0.2954 0.2942
Echinococcus granulosus ATP dependent Clp protease proteolytic subunit 0.0079 0.0922 0.1766
Schistosoma mansoni smad 0.0051 0.0542 0.1037
Entamoeba histolytica hypothetical protein 0.0227 0.2954 1
Mycobacterium ulcerans ATP-dependent Clp protease proteolytic subunit 0.0079 0.0922 1
Brugia malayi isocitrate dehydrogenase 0.0018 0.0091 0.0074
Trypanosoma cruzi 2,4-dihydroxyhept-2-ene-1,7-dioic acid aldolase, putative 0.0053 0.0579 0.0802
Echinococcus multilocularis diuretic hormone 44 receptor GPRdih2 0.0019 0.011 0.0211
Brugia malayi hypothetical protein 0.0024 0.0184 0.0168
Mycobacterium ulcerans citrate lyase beta subunit, CitE_2 0.0053 0.0579 0.2581
Schistosoma mansoni smad1 5 8 and 0.0051 0.0542 0.1037
Schistosoma mansoni tar DNA-binding protein 0.0393 0.5222 1
Schistosoma mansoni hypothetical protein 0.0019 0.011 0.0211
Brugia malayi hypothetical protein 0.016 0.2041 0.2028
Echinococcus multilocularis mothers against decapentaplegic 2 0.0023 0.0159 0.0305
Trypanosoma brucei inositol-1(or 4)-monophosphatase 1, putative 0.0045 0.0459 0.0605
Loa Loa (eye worm) TAR-binding protein 0.0393 0.5222 0.5214
Schistosoma mansoni retinoid-x-receptor (RXR) 0.0012 0.0017 0.0032
Echinococcus multilocularis ATP dependent Clp protease proteolytic subunit 0.0079 0.0922 0.1766
Plasmodium falciparum ATP-dependent Clp protease proteolytic subunit 0.0079 0.0922 1
Onchocerca volvulus Mothers against decapentaplegic homolog 0.0023 0.0159 0.0616
Onchocerca volvulus 0.016 0.2041 0.8759
Loa Loa (eye worm) RNA binding protein 0.0393 0.5222 0.5214
Schistosoma mansoni coup transcription factor 0.0012 0.0017 0.0032
Loa Loa (eye worm) MH2 domain-containing protein 0.0023 0.0159 0.0143
Echinococcus multilocularis TGF beta signal transducer SmadC 0.0051 0.0542 0.1037
Brugia malayi MH1 domain containing protein 0.0028 0.0233 0.0216
Loa Loa (eye worm) latrophilin receptor protein 2 0.0019 0.011 0.0094
Entamoeba histolytica hypothetical protein 0.0108 0.1322 0.3457
Echinococcus granulosus ecdysone induced protein 78C 0.0012 0.0017 0.0032
Loa Loa (eye worm) hypothetical protein 0.006 0.0672 0.0656
Echinococcus granulosus cadherin EGF LAG seven pass G type receptor 0.0019 0.011 0.0211
Entamoeba histolytica protein kinase, putative 0.0108 0.1322 0.3457
Echinococcus granulosus mothers against decapentaplegic 2 0.0023 0.0159 0.0305
Echinococcus multilocularis nuclear receptor 2DBD gamma 0.0012 0.0017 0.0032
Echinococcus granulosus mothers against decapentaplegic 6 0.0023 0.0159 0.0305
Echinococcus multilocularis FTZ F1 alpha 0.0012 0.0017 0.0032
Brugia malayi hypothetical protein 0.0016 0.0066 0.0049
Brugia malayi RNA recognition motif domain containing protein 0.0393 0.5222 0.5214
Mycobacterium ulcerans citrate (pro-3S)-lyase subunit beta 0.0053 0.0579 0.2581
Mycobacterium ulcerans citrate (pro-3S)-lyase subunit beta 0.0053 0.0579 0.2581
Schistosoma mansoni hypothetical protein 0.0019 0.011 0.0211
Trypanosoma cruzi hypothetical protein, conserved 0.0463 0.6177 1
Echinococcus multilocularis Basic leucine zipper (bZIP) transcription 0.0227 0.2954 0.5657
Brugia malayi latrophilin 2 splice variant baaae 0.0041 0.0412 0.0396
Mycobacterium ulcerans hypothetical protein 0.0053 0.0579 0.2581
Echinococcus multilocularis isocitrate dehydrogenase 2 (NADP+) 0.0018 0.0091 0.0174
Brugia malayi N-terminal motif family protein 0.0181 0.2328 0.2315
Trichomonas vaginalis Citrate lyase beta chain, putative 0.0053 0.0579 1
Echinococcus multilocularis Nuclear hormone receptor family member nhr 41 0.0012 0.0017 0.0032
Brugia malayi Protein kinase domain containing protein 0.0108 0.1322 0.1307
Echinococcus granulosus FTZ F1 alpha 0.0012 0.0017 0.0032
Trypanosoma brucei PAB1-binding protein , putative 0.0024 0.0184 0.0153
Loa Loa (eye worm) MH1 domain-containing protein 0.0023 0.0159 0.0143
Echinococcus multilocularis inositol monophosphatase 1 0.0045 0.0459 0.0879
Loa Loa (eye worm) hypothetical protein 0.0107 0.1314 0.13
Brugia malayi TAR-binding protein 0.0393 0.5222 0.5214
Loa Loa (eye worm) hypothetical protein 0.0041 0.0412 0.0396
Entamoeba histolytica hypothetical protein 0.0227 0.2954 1
Schistosoma mansoni Smad4 0.0051 0.0542 0.1037
Brugia malayi MH2 domain containing protein 0.0023 0.0159 0.0143
Brugia malayi Probable ClpP-like protease 0.0079 0.0922 0.0907
Leishmania major 2,4-dihydroxyhept-2-ene-1,7-dioic acid aldolase, putative 0.0053 0.0579 0.0802
Brugia malayi MH1 domain containing protein 0.0051 0.0542 0.0526
Plasmodium vivax ATP-dependent Clp protease proteolytic subunit, putative 0.0027 0.022 0.1547
Schistosoma mansoni hypothetical protein 0.0041 0.0412 0.0789
Echinococcus granulosus dual specificity 0.0108 0.1322 0.2531
Schistosoma mansoni serine/threonine protein kinase 0.0108 0.1322 0.2531
Mycobacterium tuberculosis Conserved protein 0.0053 0.0579 1
Chlamydia trachomatis ATP-dependent Clp protease proteolytic subunit 0.0079 0.0922 0.5
Echinococcus granulosus NADP dependent isocitrate dehydrogenase 0.0018 0.0091 0.0174
Schistosoma mansoni peptidase Clp (S14 family) 0.0079 0.0922 0.1766
Mycobacterium leprae PROBABLE ATP-DEPENDENT CLP PROTEASE PROTEOLYTIC SUBUNIT 1 CLPP1 (ENDOPEPTIDASE CLP) 0.0051 0.0553 0.4744
Echinococcus multilocularis thyroid hormone receptor alpha 0.0012 0.0017 0.0032
Echinococcus granulosus Basic leucine zipper bZIP transcription 0.0227 0.2954 0.5657
Echinococcus multilocularis mothers against decapentaplegic 5 0.0051 0.0542 0.1037
Schistosoma mansoni FTZ-F1 nuclear receptor-like protein 0.0012 0.0017 0.0032
Loa Loa (eye worm) hypothetical protein 0.0028 0.0233 0.0216
Treponema pallidum ATP-dependent Clp protease proteolytic subunit 0.0079 0.0922 1
Brugia malayi calcium-independent alpha-latrotoxin receptor 2, putative 0.0019 0.011 0.0094
Brugia malayi Smad1 0.0051 0.0542 0.0526
Trypanosoma cruzi CMGC/DYRK protein kinase, putative 0.0108 0.1322 0.2022
Mycobacterium tuberculosis Probable ATP-dependent CLP protease proteolytic subunit 1 ClpP1 (endopeptidase CLP) 0.0051 0.0553 0.9473
Echinococcus granulosus tar DNA binding protein 0.0393 0.5222 1
Brugia malayi RNA binding protein 0.0393 0.5222 0.5214
Echinococcus multilocularis smad 0.0051 0.0542 0.1037
Brugia malayi follicle stimulating hormone receptor 0.0285 0.3736 0.3725
Loa Loa (eye worm) nuclear factor I 0.0028 0.0233 0.0216
Echinococcus granulosus nuclear receptor 2DBD gamma 0.0012 0.0017 0.0032
Echinococcus multilocularis FTZ F1 nuclear receptor protein 0.0012 0.0017 0.0032
Toxoplasma gondii ATP-dependent Clp endopeptidase, proteolytic subunit ClpP domain-containing protein 0.0079 0.0922 1
Loa Loa (eye worm) hypothetical protein 0.0024 0.0184 0.0168
Loa Loa (eye worm) MH2 domain-containing protein 0.0743 1 1
Echinococcus multilocularis isocitrate dehydrogenase 0.0018 0.0091 0.0174
Loa Loa (eye worm) MH2 domain-containing protein 0.0051 0.0542 0.0526
Brugia malayi Inositol-1 0.0045 0.0459 0.0443
Trypanosoma cruzi hypothetical protein, conserved 0.0463 0.6177 1
Leishmania major myo-inositol-1(or 4)-monophosphatase 1, putative 0.0045 0.0459 0.0605
Plasmodium vivax ATP-dependent Clp protease proteolytic subunit, putative 0.0079 0.0922 1
Echinococcus granulosus Nuclear hormone receptor family member nhr 41 0.0012 0.0017 0.0032
Echinococcus granulosus smad 0.0051 0.0542 0.1037
Mycobacterium leprae possible inositol monophosphatase SubH (IMPase) (inositol-1-phosphatase) (I-1-Pase ). 0.004 0.0395 0.25
Plasmodium falciparum ataxin-2 like protein, putative 0.0024 0.0184 0.1123
Plasmodium falciparum ataxin-2 like protein, putative 0.0024 0.0184 0.1123
Brugia malayi MH2 domain containing protein 0.0051 0.0542 0.0526
Entamoeba histolytica hypothetical protein 0.0227 0.2954 1
Echinococcus multilocularis NADP dependent isocitrate dehydrogenase 0.0018 0.0091 0.0174
Loa Loa (eye worm) transcription factor SMAD2 0.0743 1 1
Wolbachia endosymbiont of Brugia malayi ATP-dependent Clp protease proteolytic subunit 0.0079 0.0922 1
Loa Loa (eye worm) MH1 domain-containing protein 0.0051 0.0542 0.0526
Echinococcus multilocularis peptidase Clp (S14 family) 0.0051 0.0553 0.1059
Echinococcus granulosus COUP TF:Svp nuclear hormone receptor 0.0012 0.0017 0.0032
Loa Loa (eye worm) Smad1 0.0051 0.0542 0.0526
Schistosoma mansoni NADP-specific isocitrate dehydrogenase 0.0018 0.0091 0.0174
Echinococcus multilocularis GPCR, family 2 0.0019 0.011 0.0211
Trypanosoma cruzi PAB1-binding protein , putative 0.0024 0.0184 0.0153
Loa Loa (eye worm) follicle stimulating hormone receptor 0.0285 0.3736 0.3725
Schistosoma mansoni nuclear receptor 2DBD-gamma 0.0012 0.0017 0.0032
Trypanosoma cruzi PAB1-binding protein , putative 0.0024 0.0184 0.0153
Schistosoma mansoni smad1 5 8 and 0.0051 0.0542 0.1037
Schistosoma mansoni Tr4/Tr2 (homologue) 0.0012 0.0017 0.0032
Echinococcus granulosus FTZ F1 nuclear receptor protein 0.0012 0.0017 0.0032
Schistosoma mansoni thyroid hormone receptor 0.0012 0.0017 0.0032
Schistosoma mansoni thyroid hormone receptor 0.0012 0.0017 0.0032
Echinococcus multilocularis mothers against decapentaplegic 6 0.0023 0.0159 0.0305
Toxoplasma gondii ATP-dependent Clp endopeptidase, proteolytic subunit ClpP domain-containing protein 0.0079 0.0922 1
Schistosoma mansoni hypothetical protein 0.0019 0.011 0.0211
Schistosoma mansoni transcription factor LCR-F1 0.0227 0.2954 0.5657
Entamoeba histolytica hypothetical protein 0.0227 0.2954 1
Leishmania major serine/threonine-protein kinase, putative,protein kinase, putative 0.0108 0.1322 0.2022
Loa Loa (eye worm) hypothetical protein 0.0023 0.0159 0.0143
Schistosoma mansoni steroid hormone receptor ad4bp 0.0012 0.0017 0.0032
Schistosoma mansoni photoreceptor-specific nuclear receptor related 0.0012 0.0017 0.0032
Echinococcus granulosus TGF beta signal transducer SmadC 0.0051 0.0542 0.1037
Schistosoma mansoni tar DNA-binding protein 0.0393 0.5222 1
Echinococcus granulosus nuclear receptor 2DBD gamma 0.0012 0.0017 0.0032
Echinococcus multilocularis COUP TF:Svp nuclear hormone receptor 0.0012 0.0017 0.0032
Mycobacterium tuberculosis Inositol-1-monophosphatase SuhB 0.004 0.0395 0.624
Loa Loa (eye worm) hypothetical protein 0.0019 0.011 0.0094
Mycobacterium leprae PROBABLE ATP-DEPENDENT CLP PROTEASE PROTEOLYTIC SUBUNIT 2 CLPP2 (ENDOPEPTIDASE CLP 2) 0.0079 0.0922 1
Entamoeba histolytica protein kinase domain containing protein 0.0108 0.1322 0.3457
Echinococcus granulosus peptidase Clp S14 family 0.0051 0.0553 0.1059
Trypanosoma cruzi myo-inositol-1(or 4)-monophosphatase 1, putative 0.0045 0.0459 0.0605
Loa Loa (eye worm) pigment dispersing factor receptor c 0.006 0.0672 0.0656
Onchocerca volvulus Rap guanine nucleotide exchange factor 1 homolog 0.0181 0.2328 1
Schistosoma mansoni tar DNA-binding protein 0.0393 0.5222 1
Schistosoma mansoni nuclear hormone receptor 0.0012 0.0017 0.0032
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.006 0.0672 0.0656
Echinococcus multilocularis ecdysone induced protein 78C 0.0012 0.0017 0.0032
Loa Loa (eye worm) RNA recognition domain-containing protein domain-containing protein 0.0393 0.5222 0.5214
Echinococcus granulosus hepatocyte nuclear factor 4 alpha 0.0012 0.0017 0.0032
Schistosoma mansoni smad 0.0023 0.0159 0.0305
Toxoplasma gondii hypothetical protein 0.0027 0.022 0.1547
Echinococcus granulosus citrate lyase subunit beta protein 0.0053 0.0579 0.1108
Chlamydia trachomatis ATP-dependent Clp protease proteolytic subunit 0.0079 0.0922 0.5
Echinococcus multilocularis cadherin EGF LAG seven pass G type receptor 0.0019 0.011 0.0211
Echinococcus multilocularis tar DNA binding protein 0.0393 0.5222 1
Brugia malayi Isocitrate dehydrogenase 0.0018 0.0091 0.0074
Trypanosoma cruzi 2,4-dihydroxyhept-2-ene-1,7-dioic acid aldolase, putative 0.0053 0.0579 0.0802
Echinococcus granulosus inositol monophosphatase 1 0.0045 0.0459 0.0879
Schistosoma mansoni TGF-beta signal transducer Smad2 0.0051 0.0542 0.1037
Mycobacterium ulcerans hypothetical protein 0.0053 0.0579 0.2581
Toxoplasma gondii LsmAD domain-containing protein 0.0024 0.0184 0.1123
Schistosoma mansoni hypothetical protein 0.0019 0.011 0.0211
Echinococcus multilocularis citrate lyase subunit beta protein 0.0053 0.0579 0.1108
Loa Loa (eye worm) hypothetical protein 0.016 0.2041 0.2028
Loa Loa (eye worm) hypothetical protein 0.0079 0.0922 0.0907
Loa Loa (eye worm) isocitrate dehydrogenase 0.0018 0.0091 0.0074
Schistosoma mansoni Smad4 0.0023 0.0159 0.0305
Echinococcus granulosus retinoic acid receptor rxr beta a 0.0012 0.0017 0.0032
Echinococcus multilocularis NADP dependent isocitrate dehydrogenase 0.0018 0.0091 0.0174
Brugia malayi MH1 domain containing protein 0.0051 0.0542 0.0526
Loa Loa (eye worm) hypothetical protein 0.0181 0.2328 0.2315
Schistosoma mansoni Smad4 0.0023 0.0159 0.0305
Schistosoma mansoni RAR-like nuclear receptor 0.0012 0.0017 0.0032
Toxoplasma gondii inositol(myo)-1(or 4)-monophosphatase 2, putative 0.0045 0.0459 0.4428
Brugia malayi Latrophilin receptor protein 2 0.0019 0.011 0.0094
Leishmania major hypothetical protein, conserved 0.0463 0.6177 1
Echinococcus multilocularis NADP dependent isocitrate dehydrogenase 0.0018 0.0091 0.0174
Trypanosoma cruzi CMGC/DYRK protein kinase, putative 0.0108 0.1322 0.2022
Schistosoma mansoni inositol monophosphatase 0.0045 0.0459 0.0879
Trypanosoma cruzi myo-inositol-1(or 4)-monophosphatase 1, putative 0.0045 0.0459 0.0605
Schistosoma mansoni tar DNA-binding protein 0.0393 0.5222 1
Mycobacterium ulcerans ATP-dependent Clp protease proteolytic subunit 0.0079 0.0922 1
Mycobacterium tuberculosis Probable citrate (pro-3S)-lyase (beta subunit) CitE (citrase) (citratase) (citritase) (citridesmolase) (citrase aldolase) 0.0053 0.0579 1

Activities

Activity type Activity value Assay description Source Reference
AC50 (binding) = 1.845 uM PUBCHEM_BIOASSAY: MLPCN Dyrk1A Kinase Measured in Biochemical System Using Plate Reader - 2124-01_Inhibitor_Dose_CherryPick_Activity. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID504442] ChEMBL. No reference
Potency (functional) = 0.0063 um PUBCHEM_BIOASSAY: qHTS Assay for Agonists of the Thyroid Stimulating Hormone Receptor. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) = 0.0063 um PUBCHEM_BIOASSAY: qHTS Assay for Agonists of the Thyroid Stimulating Hormone Receptor: Activators of Intracellular cAMP Concentrations in Parental HEK 293. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) = 0.8913 um PUBCHEM_BIOASSAY: qHTS for inhibitors of ROR gamma transcriptional activity. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 5.6234 uM PubChem BioAssay. qHTS of GLP-1 Receptor Inverse Agonists (Inhibition Mode). (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 14.1254 uM PubChem BioAssay. qHTS of TDP-43 Inhibitors. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) = 15.8489 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) 15.8489 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) 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) = 22.3872 um PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of DNA Polymerase Beta. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) = 25.1189 um PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of HSD17B4, hydroxysteroid (17-beta) dehydrogenase 4. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) = 31.6228 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) = 35.4813 um PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of Aldehyde Dehydrogenase 1 (ALDH1A1). (Class of assay: confirmatory) [Related pubchem assays: 1030 (qHTS Validation Assay for Inhibitors of aldehyde dehydrogenase 1 (ALDH1A1))] ChEMBL. No reference
Potency (functional) = 39.8107 um PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of Human Jumonji Domain Containing 2E (JMJD2E). (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 67.4555 uM PubChem BioAssay. qHTS Assay to Find Inhibitors of Pin1. (Class of assay: confirmatory) 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.
 
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External resources for this compound

Bibliographic References

No literature references available for this target.

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