Detailed information for compound 1279692

Basic information

Technical information
  • TDR Targets ID: 1279692
  • Name: methyl 2-amino-6-[3-chloro-5-(trifluoromethyl )pyridin-2-yl]-5,7-dihydro-4H-thieno[5,4-c]py ridine-3-carboxylate
  • MW: 391.796 | Formula: C15H13ClF3N3O2S
  • H donors: 1 H acceptors: 2 LogP: 4.12 Rotable bonds: 4
    Rule of 5 violations (Lipinski): 1
  • SMILES: COC(=O)c1c(N)sc2c1CCN(C2)c1ncc(cc1Cl)C(F)(F)F
  • InChi: 1S/C15H13ClF3N3O2S/c1-24-14(23)11-8-2-3-22(6-10(8)25-12(11)20)13-9(16)4-7(5-21-13)15(17,18)19/h4-5H,2-3,6,20H2,1H3
  • InChiKey: NWUBXLKKYZCTEL-UHFFFAOYSA-N  


Substructure search Similarity search

Network

Hover on a compound node to display the structore

Synonyms

  • methyl 2-amino-6-[3-chloro-5-(trifluoromethyl)-2-pyridyl]-5,7-dihydro-4H-thieno[5,4-c]pyridine-3-carboxylate
  • 2-amino-6-[3-chloro-5-(trifluoromethyl)-2-pyridyl]-5,7-dihydro-4H-thieno[5,4-c]pyridine-3-carboxylic acid methyl ester
  • MLS000539877
  • 1G-907
  • methyl 2-amino-6-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-4,5,6,7-tetrahydrothieno[2,3-c]pyridine-3-carboxylate
  • Bionet1_000800
  • SMR000125335

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Homo sapiens huntingtin Starlite/ChEMBL No references
Homo sapiens survival of motor neuron 2, centromeric Starlite/ChEMBL No references
Homo sapiens microtubule-associated protein tau Starlite/ChEMBL No references
Homo sapiens lamin A/C Starlite/ChEMBL No references
Homo sapiens geminin, DNA replication inhibitor Starlite/ChEMBL No references
Mus musculus RAR-related orphan receptor gamma Starlite/ChEMBL No references

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_128723 All targets in OG5_128723
Schistosoma japonicum expressed protein Get druggable targets OG5_128723 All targets in OG5_128723
Schistosoma japonicum expressed protein Get druggable targets OG5_128723 All targets in OG5_128723
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_132837 All targets in OG5_132837
Echinococcus granulosus cytoplasmic intermediate filament protein Get druggable targets OG5_128723 All targets in OG5_128723
Echinococcus multilocularis cytoplasmic intermediate filament protein Get druggable targets OG5_128723 All targets in OG5_128723
Onchocerca volvulus Get druggable targets OG5_128723 All targets in OG5_128723
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
Brugia malayi intermediate filament protein Get druggable targets OG5_128723 All targets in OG5_128723
Echinococcus multilocularis lamin dm0 Get druggable targets OG5_128723 All targets in OG5_128723
Echinococcus multilocularis survival motor neuron protein 1 Get druggable targets OG5_132873 All targets in OG5_132873
Echinococcus granulosus intermediate filament protein Get druggable targets OG5_128723 All targets in OG5_128723
Brugia malayi hypothetical protein Get druggable targets OG5_132837 All targets in OG5_132837
Schistosoma mansoni microtubule-associated protein tau Get druggable targets OG5_133504 All targets in OG5_133504
Loa Loa (eye worm) intermediate filament protein Get druggable targets OG5_128723 All targets in OG5_128723
Brugia malayi Intermediate filament tail domain containing protein Get druggable targets OG5_128723 All targets in OG5_128723
Loa Loa (eye worm) intermediate filament tail domain-containing protein Get druggable targets OG5_128723 All targets in OG5_128723
Echinococcus granulosus survival motor neuron protein 1 Get druggable targets OG5_132873 All targets in OG5_132873
Echinococcus granulosus lamin dm0 Get druggable targets OG5_128723 All targets in OG5_128723
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_128723 All targets in OG5_128723
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_128723 All targets in OG5_128723
Echinococcus multilocularis musashi Get druggable targets OG5_128723 All targets in OG5_128723
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_128723 All targets in OG5_128723
Echinococcus granulosus lamin Get druggable targets OG5_128723 All targets in OG5_128723
Brugia malayi hypothetical protein Get druggable targets OG5_132873 All targets in OG5_132873
Schistosoma mansoni lamin Get druggable targets OG5_128723 All targets in OG5_128723
Echinococcus granulosus microtubule associated protein 2 Get druggable targets OG5_133504 All targets in OG5_133504
Schistosoma mansoni lamin Get druggable targets OG5_128723 All targets in OG5_128723
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_128723 All targets in OG5_128723
Onchocerca volvulus Huntingtin homolog Get druggable targets OG5_132837 All targets in OG5_132837
Echinococcus multilocularis lamin Get druggable targets OG5_128723 All targets in OG5_128723
Echinococcus multilocularis microtubule associated protein 2 Get druggable targets OG5_133504 All targets in OG5_133504
Onchocerca volvulus Get druggable targets OG5_128723 All targets in OG5_128723
Schistosoma japonicum ko:K07611 lamin, putative Get druggable targets OG5_128723 All targets in OG5_128723
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_132873 All targets in OG5_132873
Schistosoma japonicum Lamin-C, putative Get druggable targets OG5_128723 All targets in OG5_128723
Schistosoma mansoni intermediate filament proteins Get druggable targets OG5_128723 All targets in OG5_128723
Schistosoma japonicum ko:K04380 microtubule-associated protein tau, putative Get druggable targets OG5_133504 All targets in OG5_133504
Schistosoma japonicum Intermediate filament protein ifa-1, putative Get druggable targets OG5_128723 All targets in OG5_128723
By sequence similarity to non orthologous known druggable targets
Species Potential target Known druggable target Length Alignment span Identity
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 %
Obtained from network model

Ranking Plot

Putative Targets List

Species Potential target Raw Global Species
Trypanosoma cruzi phosphatidylinositol 3-related kinase, putative 0.0778 0.3796 1
Trichomonas vaginalis phosphatidylinositol kinase, putative 0.0078 0.0192 0.0842
Trypanosoma brucei phosphatidylinositol kinase related protein, putative 0.0337 0.1525 0.6685
Schistosoma mansoni phosphatidylinositol 4-kinase type-II 0.0078 0.0192 0.0471
Echinococcus multilocularis geminin 0.0205 0.0845 0.0845
Brugia malayi Phosphatidylinositol 3- and 4-kinase family protein 0.0078 0.0192 0.0506
Trypanosoma brucei FAT domain/Rapamycin binding domain/Phosphatidylinositol 3- and 4-kinase, putative 0.0254 0.1098 0.4814
Trypanosoma brucei phosphatidylinositol 4-kinase alpha, putative 0.0078 0.0192 0.0842
Trichomonas vaginalis conserved hypothetical protein 0.0387 0.1783 0.7815
Entamoeba histolytica phosphatidylinositol 3-kinase, putative 0.0078 0.0192 0.1027
Trichomonas vaginalis PIKK family atypical protein kinase 0.0404 0.187 0.8198
Trypanosoma cruzi phosphatidylinositol 4-kinase, putative 0.0078 0.0192 0.0506
Trichomonas vaginalis PIKK family atypical protein kinase 0.0404 0.187 0.8198
Toxoplasma gondii non-specific serine/threonine protein kinase 0.0254 0.1098 0.5872
Leishmania major phosphatidylinositol 4-kinase alpha, putative 0.0078 0.0192 0.0524
Trichomonas vaginalis phosphatidylinositol kinase, putative 0.0078 0.0192 0.0842
Trichomonas vaginalis PIKK family atypical protein kinase 0.0404 0.187 0.8198
Trypanosoma brucei phosphatidylinositol 4-kinase, putative 0.0078 0.0192 0.0842
Echinococcus multilocularis phosphatidylinositol 4 kinase alpha 0.0078 0.0192 0.0192
Loa Loa (eye worm) phosphatidylinositol kinase 0.0078 0.0192 0.0842
Trichomonas vaginalis PIKK family atypical protein kinase 0.0404 0.187 0.8198
Plasmodium vivax phosphatidylinositol 3- and 4-kinase, putative 0.0078 0.0192 0.5
Trypanosoma cruzi phosphatidylinositol 3-kinase, putative 0.0078 0.0192 0.0506
Trichomonas vaginalis PIKK family atypical protein kinase 0.0404 0.187 0.8198
Loa Loa (eye worm) hypothetical protein 0.0398 0.1839 0.8061
Trypanosoma cruzi phosphatidylinositol 3-related kinase, putative 0.0778 0.3796 1
Echinococcus granulosus phosphatidylinositol 3 kinase catalytic subunit 0.0078 0.0192 0.0192
Schistosoma mansoni phosphatidylinositol-45-bisphosphate 3-kinase catalytic subunit alpha PI3K 0.0078 0.0192 0.0471
Entamoeba histolytica hypothetical protein 0.0078 0.0192 0.1027
Trypanosoma cruzi phosphatidylinositol kinase related protein, putative 0.0187 0.0753 0.1983
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0049 0.0045 0.0111
Trypanosoma cruzi phosphatidylinositol 3-kinase vps34-like 0.0078 0.0192 0.0506
Schistosoma mansoni hypothetical protein 0.0205 0.0845 0.2071
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0049 0.0045 0.0045
Trichomonas vaginalis phosphatidylinositol kinase, putative 0.0078 0.0192 0.0842
Trichomonas vaginalis PIKK family atypical protein kinase 0.0228 0.0964 0.4227
Schistosoma mansoni ataxia telangiectasia mutated (atm) 0.0337 0.1525 0.3739
Loa Loa (eye worm) glycosyl hydrolase family 31 protein 0.0182 0.0728 0.3192
Entamoeba histolytica phosphatidylinositol 3-kinase, putative 0.0078 0.0192 0.1027
Schistosoma mansoni phosphatidylinositol 3-kinase class 0.0078 0.0192 0.0471
Trichomonas vaginalis phosphatidylinositol 4-kinase, putative 0.0078 0.0192 0.0842
Schistosoma mansoni hypothetical protein 0.0058 0.0092 0.0225
Onchocerca volvulus 0.0078 0.0192 0.2171
Trypanosoma cruzi phosphatidylinositol 3-kinase, putative 0.0228 0.0964 0.254
Trichomonas vaginalis PIKK family atypical protein kinase 0.0404 0.187 0.8198
Trichomonas vaginalis conserved hypothetical protein 0.0254 0.1098 0.4814
Mycobacterium ulcerans aldehyde dehydrogenase 0.0065 0.0128 0.5
Echinococcus multilocularis PIK kinase, FAT and Armadillo domain containing protein 0.0176 0.0698 0.0698
Entamoeba histolytica phosphatidylinositol-4,5-bisphosphate 3-kinase, putative 0.0078 0.0192 0.1027
Brugia malayi FAT domain containing protein 0.0176 0.0698 0.1839
Trichomonas vaginalis PIKK family atypical protein kinase 0.0308 0.1375 0.6028
Trichomonas vaginalis PIKK family atypical protein kinase 0.0404 0.187 0.8198
Trypanosoma cruzi phosphatidylinositol 4-kinase alpha, putative 0.0078 0.0192 0.0506
Echinococcus granulosus FKBP12 rapamycin complex associated protein 0.0404 0.187 0.187
Entamoeba histolytica phosphatidylinositol 3-kinase 3, putative 0.0078 0.0192 0.1027
Brugia malayi Phosphatidylinositol 3- and 4-kinase family protein 0.0078 0.0192 0.0506
Plasmodium vivax hypothetical protein, conserved 0.0078 0.0192 0.5
Trichomonas vaginalis PIKK family atypical protein kinase 0.0404 0.187 0.8198
Trypanosoma brucei target of rapamycin kinase 3, putative 0.0404 0.187 0.8198
Loa Loa (eye worm) hypothetical protein 0.0259 0.1125 0.4932
Loa Loa (eye worm) hypothetical protein 0.0176 0.0698 0.3061
Brugia malayi GTP-binding regulatory protein Gs alpha-S chain, putative 0.0049 0.0045 0.0119
Leishmania major aldehyde dehydrogenase, mitochondrial precursor 0.0065 0.0128 0.0349
Loa Loa (eye worm) phosphatidylinositol 3 0.0404 0.187 0.8198
Echinococcus multilocularis 0.0078 0.0192 0.0192
Trichomonas vaginalis PIKK family atypical protein kinase 0.0404 0.187 0.8198
Entamoeba histolytica phosphatidylinositol3-kinaseTor2, putative 0.0404 0.187 1
Onchocerca volvulus Huntingtin homolog 0.0148 0.0553 1
Leishmania major phosphatidylinositol 4-kinase, putative 0.0078 0.0192 0.0524
Loa Loa (eye worm) hypothetical protein 0.0286 0.1261 0.5529
Trypanosoma cruzi Phosphatidylinositol 3-kinase tor1 0.0404 0.187 0.4926
Schistosoma mansoni microtubule-associated protein tau 0.0833 0.4079 1
Brugia malayi hypothetical protein 0.0148 0.0553 0.1458
Loa Loa (eye worm) phosphatidylinositol 3 0.0078 0.0192 0.0842
Echinococcus multilocularis Phosphatidylinositol 4 kinase type 2 beta 0.0078 0.0192 0.0192
Trichomonas vaginalis PIKK family atypical protein kinase 0.0337 0.1525 0.6685
Trichomonas vaginalis PIKK family atypical protein kinase 0.0078 0.0192 0.0842
Toxoplasma gondii phosphatidylinositol 3- and 4-kinase 0.0078 0.0192 0.1027
Echinococcus multilocularis FKBP12 rapamycin complex associated protein 0.0404 0.187 0.187
Trichomonas vaginalis PIKK family atypical protein kinase 0.0404 0.187 0.8198
Plasmodium falciparum phosphatidylinositol 3- and 4-kinase, putative 0.0078 0.0192 0.5
Entamoeba histolytica phosphatidylinositol 4-kinase, putative 0.0078 0.0192 0.1027
Echinococcus multilocularis phosphatidylinositol 4,5 bisphosphate 3 kinase 0.0078 0.0192 0.0192
Toxoplasma gondii aldehyde dehydrogenase 0.0065 0.0128 0.0684
Trypanosoma cruzi phosphatidylinositol kinase, putative 0.0078 0.0192 0.0506
Loa Loa (eye worm) phosphatidylinositol 3 0.0078 0.0192 0.0842
Loa Loa (eye worm) GTP-binding regulatory protein Gs alpha-S chain 0.0049 0.0045 0.0198
Echinococcus granulosus microtubule associated protein 2 0.0833 0.4079 0.4079
Echinococcus multilocularis phosphatidylinositol 3 and 4 kinase 0.0778 0.3796 0.3796
Echinococcus granulosus aldehyde dehydrogenase mitochondrial 0.0065 0.0128 0.0128
Trypanosoma cruzi target of rapamycin kinase 3 0.0404 0.187 0.4926
Schistosoma mansoni alpha-glucosidase 0.0157 0.0598 0.1466
Trichomonas vaginalis PIKK family atypical protein kinase 0.0484 0.2281 1
Onchocerca volvulus Huntingtin homolog 0.0148 0.0553 1
Trichomonas vaginalis conserved hypothetical protein 0.015 0.0564 0.2475
Trypanosoma cruzi Phosphatidylinositol 3-kinase tor2 0.0404 0.187 0.4926
Trichomonas vaginalis PIKK family atypical protein kinase 0.0404 0.187 0.8198
Echinococcus granulosus Phosphatidylinositol 4 kinase type 2 beta 0.0078 0.0192 0.0192
Echinococcus multilocularis DNA dependent protein kinase catalytic subunit 0.1985 1 1
Entamoeba histolytica hypothetical protein 0.0078 0.0192 0.1027
Mycobacterium ulcerans aldehyde dehydrogenase 0.0065 0.0128 0.5
Echinococcus granulosus lysosomal alpha glucosidase 0.0182 0.0728 0.0728
Trichomonas vaginalis PIKK family atypical protein kinase 0.0404 0.187 0.8198
Schistosoma mansoni hypothetical protein 0.0176 0.0698 0.1712
Trichomonas vaginalis PIKK family atypical protein kinase 0.0404 0.187 0.8198
Trypanosoma cruzi phosphatidylinositol 4-kinase, putative 0.0078 0.0192 0.0506
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0049 0.0045 0.0045
Trypanosoma brucei phosphatidylinositol 3-kinase tor, putative 0.0078 0.0192 0.0842
Schistosoma mansoni ataxia telangiectasia mutated (atm)-related 0.0404 0.187 0.4585
Echinococcus multilocularis Zinc finger, PHD finger 0.0078 0.0192 0.0192
Leishmania major phosphatidylinositol 3-kinase, putative 0.0404 0.187 0.5097
Schistosoma mansoni phosphatidylinositol 4-kinase 0.0078 0.0192 0.0471
Echinococcus multilocularis lysosomal alpha glucosidase 0.0182 0.0728 0.0728
Trichomonas vaginalis phosphatidylinositol 3-kinase class, putative 0.0078 0.0192 0.0842
Trypanosoma cruzi phosphatidylinositol 3-kinase 2, putative 0.0078 0.0192 0.0506
Leishmania major hypothetical protein, unknown function 0.0078 0.0192 0.0524
Trichomonas vaginalis PIKK family atypical protein kinase 0.0404 0.187 0.8198
Trypanosoma cruzi phosphatidylinositol kinase related protein, putative 0.0259 0.1125 0.2964
Plasmodium vivax phosphatidylinositol 4-kinase, putative 0.0078 0.0192 0.5
Echinococcus multilocularis survival motor neuron protein 1 0.0286 0.1261 0.1261
Brugia malayi Phosphatidylinositol 3- and 4-kinase family protein 0.0404 0.187 0.4926
Loa Loa (eye worm) phosphatidylinositol 4-kinase type 3 alpha isoform 1 0.0078 0.0192 0.0842
Trypanosoma brucei phosphatidylinositol 3-kinase catalytic subunit, putative 0.0078 0.0192 0.0842
Entamoeba histolytica phosphatidylinositol 3-kinase, putative 0.0078 0.0192 0.1027
Trypanosoma cruzi hypothetical protein, conserved 0.0676 0.3269 0.8612
Trichomonas vaginalis conserved hypothetical protein 0.0176 0.0698 0.3061
Schistosoma mansoni alpha-glucosidase 0.0157 0.0598 0.1466
Trichomonas vaginalis phopsphatidylinositol 3-kinase, drosophila, putative 0.0078 0.0192 0.0842
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0049 0.0045 0.0045
Toxoplasma gondii phosphatidylinositol 3- and 4-kinase 0.0078 0.0192 0.1027
Brugia malayi Phosphatidylinositol 3- and 4-kinase family protein 0.0778 0.3796 1
Entamoeba histolytica phosphatidylinositol 3-kinase, putative 0.0078 0.0192 0.1027
Brugia malayi follicle stimulating hormone receptor 0.0259 0.1123 0.2957
Plasmodium falciparum phosphatidylinositol 3-kinase 0.0078 0.0192 0.5
Trichomonas vaginalis PIKK family atypical protein kinase 0.0404 0.187 0.8198
Trichomonas vaginalis phosphatidylinositol 3-kinase catalytic subunit alpha, beta, delta, putative 0.0078 0.0192 0.0842
Trypanosoma cruzi phosphatidylinositol 4-kinase alpha, putative 0.0078 0.0192 0.0506
Trichomonas vaginalis PIKK family atypical protein kinase 0.0404 0.187 0.8198
Entamoeba histolytica FKBP-rapamycin associated protein (FRAP), putative 0.0404 0.187 1
Loa Loa (eye worm) hypothetical protein 0.008 0.0203 0.0891
Loa Loa (eye worm) hypothetical protein 0.0254 0.1098 0.4814
Leishmania major phosphatidylinositol 3-related kinase, putative 0.0484 0.2281 0.6217
Trichomonas vaginalis phosphatidylinositol 3-kinase class, putative 0.0078 0.0192 0.0842
Brugia malayi Phosphatidylinositol 3- and 4-kinase family protein 0.0078 0.0192 0.0506
Trichomonas vaginalis PIKK family atypical protein kinase 0.0404 0.187 0.8198
Trichomonas vaginalis PIKK family atypical protein kinase 0.0404 0.187 0.8198
Onchocerca volvulus 0.0078 0.0192 0.2171
Trichomonas vaginalis PIKK family atypical protein kinase 0.0404 0.187 0.8198
Echinococcus granulosus phosphatidylinositol 4 phosphate 3 kinase C2 0.0078 0.0192 0.0192
Mycobacterium ulcerans aldehyde dehydrogenase 0.0065 0.0128 0.5
Brugia malayi Phosphatidylinositol 3- and 4-kinase family protein 0.0337 0.1525 0.4017
Echinococcus multilocularis serine:threonine protein kinase SMG1 0.0228 0.0964 0.0964
Toxoplasma gondii phosphatidylinositol 3- and 4-kinase 0.0078 0.0192 0.1027
Loa Loa (eye worm) phosphatidylinositol 3 0.0078 0.0192 0.0842
Echinococcus multilocularis atpase aaa+ type core atpase aaa type core 0.1819 0.9148 0.9148
Loa Loa (eye worm) hypothetical protein 0.0148 0.0553 0.2426
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0049 0.0045 0.0045
Echinococcus multilocularis Phosphatidylinositol 4 kinase type 2 beta 0.0078 0.0192 0.0192
Trypanosoma brucei phosphatidylinositol 3-kinase, putative 0.0404 0.187 0.8198
Trichomonas vaginalis PIKK family atypical protein kinase 0.0404 0.187 0.8198
Brugia malayi Phosphatidylinositol 3- and 4-kinase family protein 0.0078 0.0192 0.0506
Brugia malayi Phosphatidylinositol 3- and 4-kinase family protein 0.0078 0.0192 0.0506
Trichomonas vaginalis phosphatidylinositol kinase, putative 0.0078 0.0192 0.0842
Loa Loa (eye worm) hypothetical protein 0.008 0.0203 0.0891
Leishmania major hypothetical protein, conserved 0.0754 0.3669 1
Schistosoma mansoni aldehyde dehydrogenase 0.0065 0.0128 0.0314
Trypanosoma brucei Phosphatidylinositol 3-kinase tor1 0.0404 0.187 0.8198
Trichomonas vaginalis PIKK family atypical protein kinase 0.0228 0.0964 0.4227
Echinococcus granulosus phosphatidylinositol 4 kinase beta 0.0078 0.0192 0.0192
Loa Loa (eye worm) phosphatidylinositol 3 0.0078 0.0192 0.0842
Loa Loa (eye worm) hypothetical protein 0.0228 0.0964 0.4227
Trichomonas vaginalis phosphatidylinositol 3-kinase catalytic subunit alpha, beta, delta, putative 0.0078 0.0192 0.0842
Leishmania major phosphatidylinositol 3-kinase, putative 0.0078 0.0192 0.0524
Entamoeba histolytica phosphatidylinositol 3-kinase, putative 0.0078 0.0192 0.1027
Echinococcus granulosus serine:threonine protein kinase SMG1 0.0228 0.0964 0.0964
Loa Loa (eye worm) hypothetical protein 0.0078 0.0192 0.0842
Schistosoma mansoni phosphatidylinositol 3-and 4-kinase 0.0778 0.3796 0.9308
Trypanosoma brucei phosphatidylinositol 3-kinase, putative 0.0078 0.0192 0.0842
Leishmania major phosphatidylinositol kinase, putative 0.0078 0.0192 0.0524
Brugia malayi hypothetical protein 0.0286 0.1261 0.3322
Leishmania major target of rapamycin (TOR) kinase 1, putative 0.0404 0.187 0.5097
Schistosoma mansoni hypothetical protein 0.0078 0.0192 0.0471
Brugia malayi phosphatidylinositol 4-kinase, catalytic, alpha polypeptide 0.0078 0.0192 0.0506
Leishmania major phosphatidylinositol kinase related protein, putative 0.0187 0.0753 0.2052
Trichomonas vaginalis phosphatidylinositol 3-kinase catalytic subunit gamma, putative 0.0078 0.0192 0.0842
Loa Loa (eye worm) hypothetical protein 0.0078 0.0192 0.0842
Echinococcus multilocularis phosphatidylinositol 4 phosphate 3 kinase C2 0.0078 0.0192 0.0192
Plasmodium vivax hypothetical protein 0.0078 0.0192 0.5
Plasmodium falciparum phosphatidylinositol 4-kinase 0.0078 0.0192 0.5
Trypanosoma brucei phosphatidylinositol 3-related kinase, putative 0.0484 0.2281 1
Mycobacterium leprae conserved hypothetical protein 0.0078 0.0192 0.5
Leishmania major target of rapamycin kinase (TOR) kinase 3 0.0404 0.187 0.5097
Mycobacterium tuberculosis Conserved hypothetical protein 0.0078 0.0192 0.0687
Echinococcus granulosus phosphatidylinositol 3 and 4 kinase 0.0778 0.3796 0.3796
Schistosoma mansoni phosphatidylinositol-45-bisphosphate 3-kinase catalytic subunit alpha PI3K 0.0078 0.0192 0.0471
Loa Loa (eye worm) phosphatidylinositol 3 0.0078 0.0192 0.0842
Trichomonas vaginalis PIKK family atypical protein kinase 0.0254 0.1098 0.4814
Toxoplasma gondii target of rapamycin (TOR), putative 0.0404 0.187 1
Brugia malayi Phosphatidylinositol 3- and 4-kinase family protein 0.0228 0.0964 0.254
Trichomonas vaginalis PIKK family atypical protein kinase 0.0404 0.187 0.8198
Trichomonas vaginalis PIKK family atypical protein kinase 0.0404 0.187 0.8198
Echinococcus granulosus serine protein kinase ATM 0.0337 0.1525 0.1525
Brugia malayi Glycosyl hydrolases family 31 protein 0.0182 0.0728 0.1918
Entamoeba histolytica hypothetical protein 0.0078 0.0192 0.1027
Trichomonas vaginalis PIKK family atypical protein kinase 0.0228 0.0964 0.4227
Trichomonas vaginalis PIKK family atypical protein kinase 0.0228 0.0964 0.4227
Trypanosoma cruzi phosphatidylinositol kinase related protein, putative 0.0337 0.1525 0.4017
Brugia malayi Iron-sulfur cluster assembly accessory protein 0.0058 0.0092 0.0242
Entamoeba histolytica hypothetical protein 0.0078 0.0192 0.1027
Trichomonas vaginalis PIKK family atypical protein kinase 0.0404 0.187 0.8198
Brugia malayi Voltage-gated calcium channel, T-type, alpha subunit. C. elegans cca-1 ortholog 0.0398 0.1839 0.4844
Onchocerca volvulus 0.0105 0.0334 0.5236
Echinococcus multilocularis serine protein kinase ATM 0.0337 0.1525 0.1525
Entamoeba histolytica Phosphatidylinositol 3- and 4-kinase family 0.0308 0.1375 0.7353
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0049 0.0045 0.0111
Trypanosoma brucei phosphatidylinositol 4-kinase, putative 0.0404 0.187 0.8198
Giardia lamblia GTOR 0.0404 0.187 1
Echinococcus granulosus phosphatidylinositol 4 kinase alpha 0.0078 0.0192 0.0192
Entamoeba histolytica hypothetical protein 0.0337 0.1525 0.8154
Trichomonas vaginalis phopsphatidylinositol 3-kinase, drosophila, putative 0.0078 0.0192 0.0842
Echinococcus granulosus PIK kinase FAT and Armadillo domain containing protein 0.0176 0.0698 0.0698
Echinococcus granulosus phosphatidylinositol 45 bisphosphate 3 kinase 0.0078 0.0192 0.0192
Schistosoma mansoni survival motor neuron protein 0.0058 0.0092 0.0225
Echinococcus multilocularis aldehyde dehydrogenase, mitochondrial 0.0065 0.0128 0.0128
Entamoeba histolytica protein kinase rad3, putative 0.0228 0.0964 0.5156
Plasmodium vivax phosphatidylinositol 3-kinase, putative 0.0078 0.0192 0.5
Echinococcus granulosus survival motor neuron protein 1 0.0286 0.1261 0.1261
Brugia malayi Phosphatidylinositol 3- and 4-kinase family protein 0.0078 0.0192 0.0506
Leishmania major target of rapamycin (TOR) kinase 2, putative 0.0404 0.187 0.5097
Toxoplasma gondii FATC domain-containing protein 0.0337 0.1525 0.8154
Trichomonas vaginalis phosphatidylinositol 3-kinase class, putative 0.0078 0.0192 0.0842
Echinococcus multilocularis microtubule associated protein 2 0.0833 0.4079 0.4079
Loa Loa (eye worm) phosphatidylinositol 3 0.0484 0.2281 1
Schistosoma mansoni aldehyde dehydrogenase 0.0065 0.0128 0.0314
Toxoplasma gondii phosphatidylinositol 3- and 4-kinase 0.0078 0.0192 0.1027
Trichomonas vaginalis PIKK family atypical protein kinase 0.0404 0.187 0.8198
Trichomonas vaginalis PIKK family atypical protein kinase 0.0404 0.187 0.8198
Schistosoma mansoni fkbp-rapamycin associated protein 0.0228 0.0964 0.2364
Loa Loa (eye worm) follicle stimulating hormone receptor 0.0259 0.1123 0.4921
Trichomonas vaginalis PIKK family atypical protein kinase 0.0078 0.0192 0.0842
Trypanosoma cruzi phosphatidylinositol 3-kinase 2, putative 0.0078 0.0192 0.0506
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0049 0.0045 0.0111
Echinococcus granulosus geminin 0.0205 0.0845 0.0845
Trichomonas vaginalis PIKK family atypical protein kinase 0.015 0.0564 0.2475
Plasmodium vivax phosphatidylinositol 4-kinase, putative 0.0078 0.0192 0.5
Schistosoma mansoni hypothetical protein 0.0205 0.0845 0.2071
Trichomonas vaginalis PIKK family atypical protein kinase 0.0228 0.0964 0.4227
Trichomonas vaginalis PIKK family atypical protein kinase 0.0078 0.0192 0.0842
Trichomonas vaginalis PIKK family atypical protein kinase 0.0404 0.187 0.8198
Mycobacterium tuberculosis Possible penicillin-binding protein 0.0247 0.1063 1
Schistosoma mansoni phosphatidylinositol-45-bisphosphate 3-kinase catalytic subunit alpha PI3K 0.0078 0.0192 0.0471
Echinococcus multilocularis lysosomal alpha glucosidase 0.0182 0.0728 0.0728
Trichomonas vaginalis PIKK family atypical protein kinase 0.0228 0.0964 0.4227
Echinococcus granulosus Phosphatidylinositol 4 kinase type 2 beta 0.0078 0.0192 0.0192
Trichomonas vaginalis PIKK family atypical protein kinase 0.0404 0.187 0.8198
Schistosoma mansoni phosphatidylinositol 4-kinase 0.0078 0.0192 0.0471
Toxoplasma gondii phosphatidylinositol 3- and 4-kinase 0.0078 0.0192 0.1027
Trichomonas vaginalis PIKK family atypical protein kinase 0.0404 0.187 0.8198
Loa Loa (eye worm) hypothetical protein 0.0148 0.0553 0.2426

Activities

Activity type Activity value Assay description Source Reference
Potency (functional) = 1.5849 um PUBCHEM_BIOASSAY: qHTS for inhibitors of ROR gamma transcriptional activity. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 10.4179 uM PUBCHEM_BIOASSAY: Primary qHTS for delayed death inhibitors of the malarial parasite plastid, 48 hour incubation. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID488752, AID488774, AID504848, AID504850] ChEMBL. No reference
Potency (functional) = 11.2202 um PUBCHEM_BIOASSAY: Counterscreen qHTS for Inhibitors of Tau Fibril Formation, Fluorescence Polarization. This assay monitors tau fibrillation by fluorescence polarization (FP) of Alexa 594-labeled K18 P301L, which does not fibrillize readily but incorporates into growing filaments of unlabeled tau. (Class of assay: confirmatory) [Related pubchem assays: 596 ] ChEMBL. No reference
Potency (functional) = 12.5893 um PUBCHEM_BIOASSAY: qHTS Assay for Modulators of Lamin A Splicing. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) = 12.5893 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) = 12.5893 um PUBCHEM_BIOASSAY: qHTS Assay for Enhancers of SMN2 Splice Variant Expression. (Class of assay: confirmatory) ChEMBL. No reference
Potency (binding) = 12.5893 um PUBCHEM_BIOASSAY: qHTS for Inhibitors of Tau Fibril Formation, Thioflavin T Binding. (Class of assay: confirmatory) [Related pubchem assays: 596 ] ChEMBL. No reference
Potency (functional) 14.1254 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) = 25.1189 um PUBCHEM_BIOASSAY: qHTS Assay for Promiscuous and Specific Inhibitors of Cruzain (without detergent). (Class of assay: confirmatory) [Related pubchem assays: 2158 (Confirmation qHTS Assay for Inhibitors of Cruzain), 2249 (Probe Development Summary of Promiscuous Inhibitors (Artifacts) of Cruzain), 2161 (qHTS Assay for Inhibitors of Papain: Counterscreen for Cruzain Assay), 1478 (qHTS Assay for Promiscuous and Specific Inhibitors of Cruzain (with detergent))] ChEMBL. No reference
Potency (functional) 28.1838 uM PubChem BioAssay. qHTS of GLP-1 Receptor Inverse Agonists (Inhibition Mode). (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 29.0929 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) 29.0929 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: VP16 counterscreen qHTS for inhibitors of ROR gamma transcriptional activity. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) = 39.8107 um PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of Human Jumonji Domain Containing 2E (JMJD2E). (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) = 39.8107 um PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of Aldehyde Dehydrogenase 1 (ALDH1A1). (Class of assay: confirmatory) [Related pubchem assays: 1030 (qHTS Validation Assay for Inhibitors of aldehyde dehydrogenase 1 (ALDH1A1))] ChEMBL. No reference
Potency (functional) 50.1187 uM PUBCHEM_BIOASSAY: qHTS Assay for the Inhibitors of Human Flap endonuclease 1 (FEN1). (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID488813] ChEMBL. No reference
Potency (binding) = 56.2341 um PUBCHEM_BIOASSAY: qHTS Assay for Identification of Novel General Anesthetics. In this assay, a GABAergic mimetic model system, apoferritin and a profluorescent 1-aminoanthracene ligand (1-AMA), was used to construct a competitive binding assay for identification of novel general anesthetics (Class of assay: confirmatory) [Related pubchem assays: 2385 (Probe Development Summary for Identification of Novel General Anesthetics), 2323 (Validation apoferritin assay run on SigmaAldrich LOPAC1280 collection)] ChEMBL. No reference
Potency (functional) 100 uM PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of JMJD2A-Tudor Domain. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID504402] ChEMBL. No reference

Phenotypes

Whole-cell/tissue/organism interactions

Species name Source Reference Is orphan
Plasmodium falciparum ChEMBL23

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

Annotated phenotypes:

We have no manually annotated phenotypes for this drug. What does this mean? / Care to help?
In TDR Targets, information about phenotypes that are caused by drugs, or by genetic manipulation of cells (e.g. gene knockouts or knockdowns) is manually curated from the literature. These descriptions help to describe the potential of the target for drug development. If no information is available for this gene or if the information is incomplete, this may mean that i) the papers containing this information either appeared after the curation effort for this organism was carried out or they were inadvertently missed by curators; or that ii) the curation effort for this organism has not yet started.
 
In any case, if you have information about papers containing relevant validation data for this target, please log in using your TDR Targets username and password and send them to us using the corresponding form in this page (only visible to registered users) or contact us.

External resources for this compound

Bibliographic References

No literature references available for this target.

If you have references for this compound, please enter them in a user comment (below) or Contact us.