Detailed information for compound 1445151

Basic information

Technical information
  • TDR Targets ID: 1445151
  • Name: N-(2,4-dimethylphenyl)-2-[4-furan-2-yl-6-(tri fluoromethyl)pyrimidin-2-yl]sulfanylacetamide
  • MW: 407.409 | Formula: C19H16F3N3O2S
  • H donors: 1 H acceptors: 3 LogP: 4.36 Rotable bonds: 7
    Rule of 5 violations (Lipinski): 1
  • SMILES: O=C(Nc1ccc(cc1C)C)CSc1nc(cc(n1)C(F)(F)F)c1ccco1
  • InChi: 1S/C19H16F3N3O2S/c1-11-5-6-13(12(2)8-11)23-17(26)10-28-18-24-14(15-4-3-7-27-15)9-16(25-18)19(20,21)22/h3-9H,10H2,1-2H3,(H,23,26)
  • InChiKey: UPSWZNMPOVJZIZ-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

  • N-(2,4-dimethylphenyl)-2-[4-(2-furyl)-6-(trifluoromethyl)pyrimidin-2-yl]sulfanyl-acetamide
  • N-(2,4-dimethylphenyl)-2-[[4-(2-furyl)-6-(trifluoromethyl)-2-pyrimidinyl]thio]acetamide
  • N-(2,4-dimethylphenyl)-2-[[4-(2-furyl)-6-(trifluoromethyl)pyrimidin-2-yl]thio]acetamide
  • N-(2,4-dimethylphenyl)-2-[4-furan-2-yl-6-(trifluoromethyl)pyrimidin-2-yl]sulfanyl-ethanamide
  • AP-906/42285679
  • NCGC00101372-01
  • ZINC00646553
  • BAS 03153868
  • ST5270398

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Homo sapiens tumor protein p53 Starlite/ChEMBL No references
Escherichia coli penicillin-binding protein Starlite/ChEMBL No references
Homo sapiens mechanistic target of rapamycin (serine/threonine kinase) Starlite/ChEMBL No references
Homo sapiens glucagon-like peptide 1 receptor Starlite/ChEMBL No references

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Neospora caninum Phosphatidylinositol 3-kinase tor2, related Get druggable targets OG5_127212 All targets in OG5_127212
Candida albicans frameshifted from upsteam TOR2 CDS (CaP19.9461) Get druggable targets OG5_127212 All targets in OG5_127212
Leishmania major target of rapamycin (TOR) kinase 1, putative Get druggable targets OG5_127212 All targets in OG5_127212
Brugia malayi Phosphatidylinositol 3- and 4-kinase family protein Get druggable targets OG5_127212 All targets in OG5_127212
Toxoplasma gondii target of rapamycin (TOR), putative Get druggable targets OG5_127212 All targets in OG5_127212
Trichomonas vaginalis PIKK family atypical protein kinase Get druggable targets OG5_127212 All targets in OG5_127212
Giardia lamblia GTOR Get druggable targets OG5_127212 All targets in OG5_127212
Echinococcus granulosus FKBP12 rapamycin complex associated protein Get druggable targets OG5_127212 All targets in OG5_127212
Schistosoma japonicum ko:K07203 FKBP12-rapamycin complex-associated protein, putative Get druggable targets OG5_127212 All targets in OG5_127212
Trypanosoma cruzi Phosphatidylinositol 3-kinase tor2 Get druggable targets OG5_127212 All targets in OG5_127212
Trichomonas vaginalis PIKK family atypical protein kinase Get druggable targets OG5_127212 All targets in OG5_127212
Candida albicans similar to internal region of S. cerevisiae TOR2 (YKL203C) and TOR1 (YJR066W) protein/phosphatidylinositol kinases involved in n Get druggable targets OG5_127212 All targets in OG5_127212
Trypanosoma congolense Phosphatidylinositol 3-kinase tor2 Get druggable targets OG5_127212 All targets in OG5_127212
Schistosoma mansoni ataxia telangiectasia mutated (atm)-related Get druggable targets OG5_127212 All targets in OG5_127212
Entamoeba histolytica phosphatidylinositol3-kinaseTor2, putative Get druggable targets OG5_127212 All targets in OG5_127212
Leishmania donovani Phosphatidylinositol 3-kinase tor2 Get druggable targets OG5_127212 All targets in OG5_127212
Trichomonas vaginalis PIKK family atypical protein kinase Get druggable targets OG5_127212 All targets in OG5_127212
Trichomonas vaginalis PIKK family atypical protein kinase Get druggable targets OG5_127212 All targets in OG5_127212
Trypanosoma cruzi Phosphatidylinositol 3-kinase tor1 Get druggable targets OG5_127212 All targets in OG5_127212
Candida albicans similar to N terminal region of S. cerevisiae TOR2 (YKL203C) and TOR1 (YJR066W) putative protein/phosphatidylinositol kinases in Get druggable targets OG5_127212 All targets in OG5_127212
Candida albicans similar to N terminal region of S. cerevisiae TOR2 (YKL203C) and TOR1 (YJR066W) putative protein/phosphatidylinositol kinases in Get druggable targets OG5_127212 All targets in OG5_127212
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_127212 All targets in OG5_127212
Trypanosoma brucei phosphatidylinositol 4-kinase, putative Get druggable targets OG5_127212 All targets in OG5_127212
Trypanosoma congolense Phosphatidylinositol 3-kinase tor1 Get druggable targets OG5_127212 All targets in OG5_127212
Loa Loa (eye worm) phosphatidylinositol 3 Get druggable targets OG5_127212 All targets in OG5_127212
Leishmania mexicana phosphatidylinositol 3-kinase (tor2)-like protein Get druggable targets OG5_127212 All targets in OG5_127212
Trichomonas vaginalis PIKK family atypical protein kinase Get druggable targets OG5_127212 All targets in OG5_127212
Trichomonas vaginalis PIKK family atypical protein kinase Get druggable targets OG5_127212 All targets in OG5_127212
Trichomonas vaginalis PIKK family atypical protein kinase Get druggable targets OG5_127212 All targets in OG5_127212
Trichomonas vaginalis PIKK family atypical protein kinase Get druggable targets OG5_127212 All targets in OG5_127212
Leishmania braziliensis target of rapamycin (TOR) kinase 2, putative Get druggable targets OG5_127212 All targets in OG5_127212
Trichomonas vaginalis PIKK family atypical protein kinase Get druggable targets OG5_127212 All targets in OG5_127212
Entamoeba histolytica FKBP-rapamycin associated protein (FRAP), putative Get druggable targets OG5_127212 All targets in OG5_127212
Trichomonas vaginalis PIKK family atypical protein kinase Get druggable targets OG5_127212 All targets in OG5_127212
Leishmania major target of rapamycin (TOR) kinase 2, putative Get druggable targets OG5_127212 All targets in OG5_127212
Trichomonas vaginalis PIKK family atypical protein kinase Get druggable targets OG5_127212 All targets in OG5_127212
Leishmania infantum target of rapamycin (TOR) kinase 2, putative Get druggable targets OG5_127212 All targets in OG5_127212
Trichomonas vaginalis PIKK family atypical protein kinase Get druggable targets OG5_127212 All targets in OG5_127212
Trichomonas vaginalis PIKK family atypical protein kinase Get druggable targets OG5_127212 All targets in OG5_127212
Trichomonas vaginalis PIKK family atypical protein kinase Get druggable targets OG5_127212 All targets in OG5_127212
Candida albicans similar to internal region of S. cerevisiae TOR2 (YKL203C) and TOR1 (YJR066W) protein/phosphatidylinositol kinases involved in n Get druggable targets OG5_127212 All targets in OG5_127212
Mycobacterium tuberculosis Possible penicillin-binding protein Get druggable targets OG5_149948 All targets in OG5_149948
Leishmania infantum target of rapamycin (TOR) kinase 1, putative Get druggable targets OG5_127212 All targets in OG5_127212
Leishmania donovani Phosphatidylinositol 3-kinase tor1 Get druggable targets OG5_127212 All targets in OG5_127212
Trypanosoma brucei gambiense phosphatidylinositol 3-kinase tor, putative Get druggable targets OG5_127212 All targets in OG5_127212
Trypanosoma brucei Phosphatidylinositol 3-kinase tor1 Get druggable targets OG5_127212 All targets in OG5_127212
Leishmania mexicana phosphatidylinositol 3 kinase, putative Get druggable targets OG5_127212 All targets in OG5_127212
Trichomonas vaginalis PIKK family atypical protein kinase Get druggable targets OG5_127212 All targets in OG5_127212
Schistosoma japonicum FKBP12-rapamycin complex-associated protein, putative Get druggable targets OG5_127212 All targets in OG5_127212
Schistosoma japonicum FKBP12-rapamycin complex-associated protein, putative Get druggable targets OG5_127212 All targets in OG5_127212
Echinococcus multilocularis FKBP12 rapamycin complex associated protein Get druggable targets OG5_127212 All targets in OG5_127212
Trypanosoma brucei gambiense phosphatidylinositol 3 kinase, putative Get druggable targets OG5_127212 All targets in OG5_127212
Echinococcus granulosus tumor protein p63 Get druggable targets OG5_140038 All targets in OG5_140038
Schistosoma japonicum FKBP12-rapamycin complex-associated protein, putative Get druggable targets OG5_127212 All targets in OG5_127212
Trichomonas vaginalis PIKK family atypical protein kinase Get druggable targets OG5_127212 All targets in OG5_127212
Candida albicans frameshifted from upstream TOR2 CDS (CaP19.1905) Get druggable targets OG5_127212 All targets in OG5_127212
Trichomonas vaginalis PIKK family atypical protein kinase Get druggable targets OG5_127212 All targets in OG5_127212
Trichomonas vaginalis PIKK family atypical protein kinase Get druggable targets OG5_127212 All targets in OG5_127212
Trichomonas vaginalis PIKK family atypical protein kinase Get druggable targets OG5_127212 All targets in OG5_127212
Trichomonas vaginalis PIKK family atypical protein kinase Get druggable targets OG5_127212 All targets in OG5_127212
Echinococcus multilocularis tumor protein p63 Get druggable targets OG5_140038 All targets in OG5_140038
Trichomonas vaginalis PIKK family atypical protein kinase Get druggable targets OG5_127212 All targets in OG5_127212
Trichomonas vaginalis PIKK family atypical protein kinase Get druggable targets OG5_127212 All targets in OG5_127212
Trichomonas vaginalis PIKK family atypical protein kinase Get druggable targets OG5_127212 All targets in OG5_127212
Trichomonas vaginalis PIKK family atypical protein kinase Get druggable targets OG5_127212 All targets in OG5_127212
Trichomonas vaginalis PIKK family atypical protein kinase Get druggable targets OG5_127212 All targets in OG5_127212
Trypanosoma brucei phosphatidylinositol 3-kinase tor, putative Get druggable targets OG5_127212 All targets in OG5_127212
By sequence similarity to non orthologous known druggable targets
Species Potential target Known druggable target Length Alignment span Identity
Loa Loa (eye worm) pigment dispersing factor receptor c glucagon-like peptide 1 receptor 463 aa 388 aa 25.8 %
Obtained from network model

Ranking Plot

Putative Targets List

Species Potential target Raw Global Species
Plasmodium vivax hypothetical protein, conserved 0.0043 0.0246 0.3651
Mycobacterium tuberculosis Probable hydrolase 0.0043 0.0246 0.0868
Brugia malayi Pre-SET motif family protein 0.0082 0.0636 0.0636
Trichomonas vaginalis Clan CA, family C19, ubiquitin hydrolase-like cysteine peptidase 0.0034 0.0146 0.0069
Trichomonas vaginalis PIKK family atypical protein kinase 0.004 0.0215 0.0178
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.0265 0.2481 0.3787
Onchocerca volvulus Alhambra homolog 0.0054 0.035 0.0107
Plasmodium vivax SET domain protein, putative 0.0082 0.0636 1
Echinococcus granulosus L aminoadipate semialdehyde 0.0075 0.0568 0.0568
Trypanosoma brucei phosphatidylinositol 4-kinase, putative 0.0054 0.0355 0.0347
Mycobacterium tuberculosis Probable esterase LipL 0.0043 0.0246 0.0868
Trichomonas vaginalis Clan CA, family C19, ubiquitin hydrolase-like cysteine peptidase 0.0034 0.0146 0.0069
Loa Loa (eye worm) hypothetical protein 0.006 0.041 0.041
Giardia lamblia Fructose-bisphosphate aldolase 0.0265 0.2481 1
Toxoplasma gondii ABC1 family protein 0.0043 0.0246 0.3651
Trypanosoma brucei C-8 sterol isomerase, putative 0.0974 0.9629 1
Loa Loa (eye worm) hypothetical protein 0.0092 0.0738 0.0738
Brugia malayi beta-lactamase family protein 0.0043 0.0246 0.0246
Echinococcus multilocularis peregrin 0.0054 0.035 0.035
Schistosoma mansoni aldehyde dehydrogenase 0.0057 0.0383 0.0383
Trypanosoma cruzi myo-inositol-1(or 4)-monophosphatase 1, putative 0.0068 0.0495 0.0368
Loa Loa (eye worm) hypothetical protein 0.0043 0.0246 0.0246
Echinococcus multilocularis Transcription factor, JmjC domain containing protein 0.0176 0.1585 0.1585
Schistosoma mansoni cellular tumor antigen P53 0.006 0.041 0.041
Mycobacterium ulcerans extragenic suppressor protein SuhB 0.0068 0.0495 0.4336
Trypanosoma cruzi target of rapamycin kinase 3 0.0043 0.0244 0.0103
Echinococcus granulosus lysine specific demethylase 5A 0.0065 0.0465 0.0465
Leishmania major hypothetical protein, conserved 0.0043 0.0246 0.0234
Leishmania major myo-inositol-1(or 4)-monophosphatase 1, putative 0.0068 0.0495 0.0493
Trichomonas vaginalis PIKK family atypical protein kinase 0.0054 0.0355 0.0401
Schistosoma mansoni inositol monophosphatase 0.0068 0.0495 0.0495
Mycobacterium tuberculosis Conserved protein 0.0043 0.0246 0.0868
Trichomonas vaginalis PIKK family atypical protein kinase 0.0029 0.0103 0.0001
Entamoeba histolytica FKBP-rapamycin associated protein (FRAP), putative 0.0054 0.0355 0.1355
Plasmodium falciparum phd finger protein, putative 0.0054 0.035 1
Schistosoma mansoni inositol monophosphatase 0.0068 0.0495 0.0495
Mycobacterium tuberculosis Conserved protein 0.0043 0.0246 0.0868
Toxoplasma gondii aldehyde dehydrogenase 0.0057 0.0383 0.5869
Leishmania major target of rapamycin (TOR) kinase 2, putative 0.0054 0.0355 0.0347
Mycobacterium tuberculosis Possible penicillin-binding protein 0.0278 0.2608 1
Echinococcus multilocularis beta LACTamase domain containing family member 0.0043 0.0246 0.0246
Loa Loa (eye worm) beta-lactamase 0.0043 0.0246 0.0246
Trichomonas vaginalis PIKK family atypical protein kinase 0.0054 0.0355 0.0401
Mycobacterium leprae possible inositol monophosphatase SubH (IMPase) (inositol-1-phosphatase) (I-1-Pase ). 0.0061 0.0423 0.3676
Wolbachia endosymbiont of Brugia malayi fructose-1,6-bisphosphatase 0.0068 0.0495 1
Schistosoma mansoni ubiquitin-specific peptidase 8 (C19 family) 0.0034 0.0146 0.0146
Schistosoma mansoni hypothetical protein 0.0054 0.035 0.035
Trichomonas vaginalis PIKK family atypical protein kinase 0.0054 0.0355 0.0401
Trichomonas vaginalis PIKK family atypical protein kinase 0.0043 0.0243 0.0223
Entamoeba histolytica phosphatidylinositol3-kinaseTor2, putative 0.0054 0.0355 0.1355
Trichomonas vaginalis PIKK family atypical protein kinase 0.0032 0.0132 0.0046
Loa Loa (eye worm) phosphatidylinositol 3 0.0054 0.0355 0.0355
Leishmania major target of rapamycin kinase (TOR) kinase 3 0.0043 0.0244 0.0231
Toxoplasma gondii histone lysine methyltransferase SET/SUV39 0.0082 0.0636 1
Trichomonas vaginalis D-aminoacylase, putative 0.0043 0.0246 0.0228
Mycobacterium tuberculosis Inositol-1-monophosphatase SuhB 0.0061 0.0423 0.1552
Trichomonas vaginalis PIKK family atypical protein kinase 0.0046 0.0275 0.0274
Echinococcus multilocularis jumonji domain containing protein 0.0075 0.0563 0.0563
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.006 0.0415 0.0415
Loa Loa (eye worm) PHD-finger family protein 0.0054 0.035 0.035
Echinococcus multilocularis PHD finger protein rhinoceros 0.0054 0.035 0.035
Trichomonas vaginalis PIKK family atypical protein kinase 0.0043 0.0243 0.0223
Trichomonas vaginalis PIKK family atypical protein kinase 0.0029 0.0103 0.0001
Brugia malayi Ubiquitin carboxyl-terminal hydrolase family protein 0.0034 0.0146 0.0146
Echinococcus granulosus ubiquitin specific protease 41 0.0034 0.0146 0.0146
Onchocerca volvulus 0.0075 0.0568 0.033
Schistosoma mansoni jumonji/arid domain-containing protein 0.0065 0.0465 0.0465
Echinococcus multilocularis vesicular acetylcholine transporter 0.1011 1 1
Echinococcus granulosus vesicular acetylcholine transporter 0.1011 1 1
Trichomonas vaginalis PIKK family atypical protein kinase 0.0032 0.0135 0.0051
Echinococcus multilocularis ubiquitin specific protease 41 0.0034 0.0146 0.0146
Mycobacterium tuberculosis Probable lipase LipD 0.0043 0.0246 0.0868
Trichomonas vaginalis set domain proteins, putative 0.0652 0.6381 1
Mycobacterium tuberculosis Probable fructose-bisphosphate aldolase Fba 0.013 0.1114 0.4222
Schistosoma mansoni aldehyde dehydrogenase 0.0057 0.0383 0.0383
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0082 0.0636 0.0636
Echinococcus granulosus FKBP12 rapamycin complex associated protein 0.0054 0.0355 0.0355
Trypanosoma brucei target of rapamycin kinase 3, putative 0.0043 0.0244 0.0231
Trichomonas vaginalis PIKK family atypical protein kinase 0.0029 0.0103 0.0001
Echinococcus granulosus histone lysine methyltransferase setb 0.0082 0.0636 0.0636
Brugia malayi Phosphatidylinositol 3- and 4-kinase family protein 0.0054 0.0355 0.0355
Brugia malayi jmjC domain containing protein 0.0176 0.1585 0.1585
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.0265 0.2481 0.3787
Mycobacterium tuberculosis Conserved protein 0.0043 0.0246 0.0868
Mycobacterium leprae Probable fructose bisphosphate aldolase Fba 0.013 0.1114 1
Echinococcus multilocularis histone lysine N methyltransferase SETMAR 0.0082 0.0636 0.0636
Echinococcus multilocularis L aminoadipate semialdehyde 0.0075 0.0568 0.0568
Mycobacterium ulcerans aldehyde dehydrogenase 0.0057 0.0383 0.3304
Mycobacterium tuberculosis Probable esterase/lipase LipP 0.0043 0.0246 0.0868
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.0265 0.2481 0.3787
Trichomonas vaginalis PIKK family atypical protein kinase 0.0043 0.0243 0.0223
Loa Loa (eye worm) beta-LACTamase domain containing family member 0.0043 0.0246 0.0246
Trypanosoma brucei inositol-1(or 4)-monophosphatase 1, putative 0.0068 0.0495 0.0493
Trichomonas vaginalis conserved hypothetical protein 0.0034 0.0146 0.0069
Echinococcus granulosus PHD finger protein rhinoceros 0.0054 0.035 0.035
Mycobacterium ulcerans aldehyde dehydrogenase 0.0057 0.0383 0.3304
Echinococcus granulosus tachykinin peptides receptor 99D 0.0186 0.1678 0.1678
Brugia malayi Calcitonin receptor-like protein seb-1 0.006 0.0415 0.0415
Trichomonas vaginalis PIKK family atypical protein kinase 0.0029 0.0103 0.0001
Trichomonas vaginalis inositol monophosphatase, putative 0.0068 0.0495 0.0625
Toxoplasma gondii inositol(myo)-1(or 4)-monophosphatase 2, putative 0.0068 0.0495 0.7703
Loa Loa (eye worm) hypothetical protein 0.006 0.0415 0.0415
Entamoeba histolytica fructose-1,6-bisphosphate aldolase, putative 0.0265 0.2481 1
Trypanosoma cruzi hypothetical protein, conserved 0.0043 0.0246 0.0105
Mycobacterium ulcerans fusion of enoyl-CoA hydratase, EchA21 and lipase, LipE 0.0043 0.0246 0.2055
Leishmania major aldehyde dehydrogenase, mitochondrial precursor 0.0057 0.0383 0.0375
Schistosoma mansoni vesicular acetylcholine transporter 0.1011 1 1
Brugia malayi latrophilin 2 splice variant baaae 0.0041 0.0223 0.0223
Echinococcus granulosus beta LACTamase domain containing family member 0.0043 0.0246 0.0246
Mycobacterium ulcerans hypothetical protein 0.0043 0.0246 0.2055
Echinococcus granulosus jumonji domain containing protein 0.0075 0.0563 0.0563
Mycobacterium leprae Probable lipase LipE 0.0043 0.0246 0.2055
Trichomonas vaginalis myo inositol monophosphatase, putative 0.0068 0.0495 0.0625
Trichomonas vaginalis PIKK family atypical protein kinase 0.0032 0.0135 0.0051
Loa Loa (eye worm) hypothetical protein 0.0043 0.0246 0.0246
Trypanosoma cruzi C-8 sterol isomerase, putative 0.0974 0.9629 1
Schistosoma mansoni mixed-lineage leukemia protein mll 0.0021 0.0016 0.0016
Brugia malayi Bromodomain containing protein 0.0054 0.035 0.035
Schistosoma mansoni ataxia telangiectasia mutated (atm)-related 0.0054 0.0355 0.0355
Brugia malayi Pre-SET motif family protein 0.0573 0.5583 0.5583
Loa Loa (eye worm) inositol-1 0.0068 0.0495 0.0495
Echinococcus multilocularis Peptidase C19, ubiquitin carboxyl terminal hydrolase 2 0.0034 0.0146 0.0146
Trypanosoma brucei Phosphatidylinositol 3-kinase tor1 0.0054 0.0355 0.0347
Trichomonas vaginalis PIKK family atypical protein kinase 0.0035 0.0163 0.0096
Entamoeba histolytica ubiquitin carboxyl-terminal hydrolase domain containing protein 0.0034 0.0146 0.0506
Mycobacterium tuberculosis Probable aldehyde dehydrogenase 0.0057 0.0383 0.1395
Schistosoma mansoni histone-lysine n-methyltransferase suv9 0.0082 0.0636 0.0636
Brugia malayi ERG2 and Sigma1 receptor like protein 0.0974 0.9629 0.9629
Schistosoma mansoni hypothetical protein 0.0041 0.0223 0.0223
Trichomonas vaginalis PIKK family atypical protein kinase 0.004 0.0215 0.0178
Leishmania major C-8 sterol isomerase-like protein 0.0974 0.9629 1
Entamoeba histolytica fructose-1,6-bisphosphate aldolase, putative 0.0265 0.2481 1
Entamoeba histolytica myo-inositol monophosphatase, putative 0.0068 0.0495 0.1925
Loa Loa (eye worm) hypothetical protein 0.0043 0.0246 0.0246
Brugia malayi PHD-finger family protein 0.0054 0.035 0.035
Trypanosoma cruzi Phosphatidylinositol 3-kinase tor1 0.0054 0.0355 0.022
Mycobacterium ulcerans lipase LipD 0.0043 0.0246 0.2055
Trichomonas vaginalis PIKK family atypical protein kinase 0.0043 0.0243 0.0223
Loa Loa (eye worm) hypothetical protein 0.0075 0.0568 0.0568
Trypanosoma brucei hypothetical protein, conserved 0.0043 0.0246 0.0234
Loa Loa (eye worm) hypothetical protein 0.0043 0.0246 0.0246
Echinococcus multilocularis histone lysine methyltransferase setb histone lysine methyltransferase eggless 0.0082 0.0636 0.0636
Trichomonas vaginalis D-aminoacylase, putative 0.0043 0.0246 0.0228
Onchocerca volvulus 0.0082 0.0636 0.04
Echinococcus multilocularis atpase aaa+ type core atpase aaa type core 0.0736 0.7223 0.7223
Brugia malayi jmjC domain containing protein 0.0065 0.0465 0.0465
Leishmania major target of rapamycin (TOR) kinase 1, putative 0.0054 0.0355 0.0347
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0082 0.0636 0.0636
Toxoplasma gondii target of rapamycin (TOR), putative 0.004 0.0215 0.314
Brugia malayi F/Y-rich N-terminus family protein 0.0021 0.0016 0.0016
Echinococcus granulosus Transcription factor JmjC domain containing protein 0.0176 0.1585 0.1585
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0082 0.0636 0.0636
Echinococcus granulosus aldehyde dehydrogenase mitochondrial 0.0057 0.0383 0.0383
Loa Loa (eye worm) hypothetical protein 0.0974 0.9629 0.9629
Brugia malayi Hypothetical 52.5 kDa protein ZK945.1 in chromosome II, putative 0.0043 0.0246 0.0246
Mycobacterium ulcerans aldehyde dehydrogenase 0.0057 0.0383 0.3304
Mycobacterium ulcerans fructose-bisphosphate aldolase 0.013 0.1114 1
Trichomonas vaginalis penicillin-binding protein, putative 0.0043 0.0246 0.0228
Loa Loa (eye worm) jmjC domain-containing protein 0.0111 0.0928 0.0928
Giardia lamblia PHD finger protein 15 0.0054 0.035 0.0875
Schistosoma mansoni jumonji domain containing protein 0.014 0.1219 0.1219
Mycobacterium ulcerans beta-lactamase 0.0043 0.0246 0.2055
Echinococcus granulosus 5'partial|histone lysine N methyltransferase SETDB2 0.0079 0.0606 0.0606
Brugia malayi Voltage-gated calcium channel, T-type, alpha subunit. C. elegans cca-1 ortholog 0.0161 0.143 0.143
Chlamydia trachomatis holo [acyl-carrier protein] synthase 0.0021 0.0022 0.5
Loa Loa (eye worm) pigment dispersing factor receptor c 0.006 0.0415 0.0415
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.0265 0.2481 0.3787
Trypanosoma brucei phosphatidylinositol 3-kinase tor, putative 0.0026 0.0067 0.0047
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.0265 0.2481 0.3787
Mycobacterium leprae conserved hypothetical protein 0.0043 0.0246 0.2055
Schistosoma mansoni family S12 unassigned peptidase (S12 family) 0.0043 0.0246 0.0246
Onchocerca volvulus 0.006 0.041 0.0168
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.0265 0.2481 0.3787
Plasmodium vivax hypothetical protein, conserved 0.0054 0.035 0.5347
Schistosoma mansoni ubiquitin-specific peptidase 2 (C19 family) 0.0034 0.0146 0.0146
Echinococcus multilocularis tumor protein p63 0.0408 0.392 0.392
Echinococcus granulosus tumor protein p63 0.0408 0.392 0.392
Schistosoma mansoni family S12 unassigned peptidase (S12 family) 0.0043 0.0246 0.0246
Schistosoma mansoni aminoadipate-semialdehyde dehydrogenase 0.0075 0.0568 0.0568
Brugia malayi beta-lactamase family protein 0.0043 0.0246 0.0246
Trichomonas vaginalis PIKK family atypical protein kinase 0.0032 0.0132 0.0046
Loa Loa (eye worm) hypothetical protein 0.0041 0.0223 0.0223
Trichomonas vaginalis PIKK family atypical protein kinase 0.004 0.0215 0.0178
Echinococcus multilocularis ubiquitin carboxyl terminal hydrolase 8 0.0034 0.0146 0.0146
Loa Loa (eye worm) hypothetical protein 0.0034 0.0146 0.0146
Trichomonas vaginalis PIKK family atypical protein kinase 0.004 0.0215 0.0178
Echinococcus granulosus ubiquitin carboxyl terminal hydrolase 8 0.0034 0.0146 0.0146
Toxoplasma gondii PHD-finger domain-containing protein 0.0054 0.035 0.5347
Trichomonas vaginalis PIKK family atypical protein kinase 0.004 0.0215 0.0178
Loa Loa (eye worm) hypothetical protein 0.0498 0.4827 0.4827
Trypanosoma cruzi myo-inositol-1(or 4)-monophosphatase 1, putative 0.0068 0.0495 0.0368
Loa Loa (eye worm) hypothetical protein 0.0043 0.0246 0.0246
Echinococcus multilocularis tachykinin peptides receptor 99D 0.0186 0.1678 0.1678
Mycobacterium tuberculosis Possible conserved lipoprotein LpqK 0.0043 0.0246 0.0868
Echinococcus granulosus peregrin 0.0054 0.035 0.035
Onchocerca volvulus 0.0652 0.6381 0.629
Loa Loa (eye worm) pre-SET domain-containing protein family protein 0.0573 0.5583 0.5583
Trichomonas vaginalis conserved hypothetical protein 0.0157 0.1386 0.2043
Echinococcus multilocularis aldehyde dehydrogenase, mitochondrial 0.0057 0.0383 0.0383
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.0265 0.2481 0.3787
Giardia lamblia GTOR 0.0054 0.0355 0.0894
Mycobacterium tuberculosis Probable lipase LipE 0.0043 0.0246 0.0868
Mycobacterium ulcerans esterase/lipase LipP 0.0043 0.0246 0.2055
Echinococcus multilocularis FKBP12 rapamycin complex associated protein 0.0054 0.0355 0.0355
Trichomonas vaginalis PIKK family atypical protein kinase 0.004 0.0215 0.0178
Trichomonas vaginalis PIKK family atypical protein kinase 0.004 0.0215 0.0178
Echinococcus multilocularis inositol monophosphatase 1 0.0068 0.0495 0.0495
Trichomonas vaginalis myo inositol monophosphatase, putative 0.0068 0.0495 0.0625
Echinococcus multilocularis lysine specific demethylase 5A 0.0065 0.0465 0.0465
Trichomonas vaginalis penicillin-binding protein, putative 0.0043 0.0246 0.0228
Trichomonas vaginalis PIKK family atypical protein kinase 0.0036 0.0175 0.0115
Trichomonas vaginalis D-aminoacylase, putative 0.0043 0.0246 0.0228
Brugia malayi aminoadipate-semialdehyde dehydrogenase-phosphopantetheinyl transferase 0.0075 0.0568 0.0568
Trichomonas vaginalis esterase, putative 0.0043 0.0246 0.0228
Mycobacterium tuberculosis Probable conserved lipoprotein 0.0043 0.0246 0.0868
Toxoplasma gondii PHD-finger domain-containing protein 0.0054 0.035 0.5347
Echinococcus granulosus inositol monophosphatase 1 0.0068 0.0495 0.0495
Leishmania major ubiquitin hydrolase, putative,cysteine peptidase, Clan CA, family C19, putative 0.0034 0.0146 0.0129
Onchocerca volvulus Vesicular acetylcholine transporter homolog 0.1011 1 1
Treponema pallidum fructose-bisphosphate aldolase 0.0265 0.2481 1
Loa Loa (eye worm) vesicular acetylcholine transporter unc-17 0.1011 1 1
Trypanosoma brucei FAT domain/Rapamycin binding domain/Phosphatidylinositol 3- and 4-kinase, putative 0.0023 0.0035 0.0014
Trypanosoma cruzi hypothetical protein, conserved 0.0043 0.0246 0.0105
Loa Loa (eye worm) jmjC domain-containing protein 0.0065 0.0465 0.0465
Trichomonas vaginalis PIKK family atypical protein kinase 0.0043 0.0243 0.0223
Loa Loa (eye worm) hypothetical protein 0.0043 0.0246 0.0246
Trypanosoma brucei ubiquitin carboxyl-terminal hydrolase, putative 0.0034 0.0146 0.0129
Loa Loa (eye worm) hypothetical protein 0.0054 0.035 0.035
Brugia malayi Inositol-1 0.0068 0.0495 0.0495
Loa Loa (eye worm) hypothetical protein 0.0161 0.143 0.143
Schistosoma mansoni jumonji/arid domain-containing protein 0.0065 0.0465 0.0465
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.0265 0.2481 0.3787
Trypanosoma cruzi Phosphatidylinositol 3-kinase tor2 0.0054 0.0355 0.022
Echinococcus granulosus Peptidase C19 ubiquitin carboxyl terminal hydrolase 2 0.0034 0.0146 0.0146
Trichomonas vaginalis PIKK family atypical protein kinase 0.0032 0.0135 0.0051
Loa Loa (eye worm) hypothetical protein 0.0082 0.0636 0.0636
Brugia malayi beta-lactamase 0.0043 0.0246 0.0246
Schistosoma mansoni bromodomain-containing nuclear protein 1 brd1 0.0054 0.035 0.035

Activities

Activity type Activity value Assay description Source Reference
Potency (functional) 0.2328 uM PUBCHEM_BIOASSAY: IN Cell qHTS Assay for Inhibitors of the mTORC1 Signaling Pathway in MEF (Tsc2-/-, p53-/-) Cells: Sytravon. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID2660, AID2666, AID2667, AID2668, AID2681, AID493208] ChEMBL. No reference
Potency (functional) = 0.2512 um PUBCHEM_BIOASSAY: qHTS Screen for Compounds that Selectively Target Cancer Cells with p53 Mutations: Cytotoxicity of p53 Null Cells at the Nonpermissive Temperature. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 0.3162 uM PubChem BioAssay. qHTS of GLP-1 Receptor Inverse Agonists (Inhibition Mode). (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) = 0.3981 um PUBCHEM_BIOASSAY: qHTS Screen for Compounds that Selectively Target Cancer Cells with p53 Mutations: Cytotoxicity of p53 Null Cells at the Permissive Temperature. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 0.826 uM PUBCHEM_BIOASSAY: Acumen qHTS Assay for Inhibitors of the mTORC1 Signaling Pathway in MEF (Tsc2-/-, p53-/-) Cells: Sytravon. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID2660, AID2666, AID2667, AID2668, AID2681, AID504465] ChEMBL. No reference
Potency (functional) 1.8493 uM PubChem BioAssay. Acumen qHTS Assay for Inhibitors of the mTORC1 Signaling Pathway in WT MEF Cells: Hit Validation. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) = 2.2387 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
Potency (functional) 9.2683 uM PubChem BioAssay. Acumen qHTS Assay for Inhibitors of the mTORC1 Signaling Pathway in MEF (Tsc2-/-, p53-/-) Cells: Hit Validation. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 13.0918 uM PubChem BioAssay. InCell qHTS Assay for Inhibitors of the mTORC1 Signaling Pathway in WT MEF Cells: Hit Validation. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 13.0918 uM PubChem BioAssay. InCell qHTS Assay for Inhibitors of the mTORC1 Signaling Pathway in MEF (Tsc2-/-, p53-/-) Cells: Hit Validation. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) = 15.8489 um PUBCHEM_BIOASSAY: qHTS Screen for Compounds that Selectively Target Cancer Cells with p53 Mutations: Cytotoxicity of p53ts Cells at the Nonpermissive Temperature. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 70.7946 uM PUBCHEM_BIOASSAY: qHTS for Inhibitors of mutant isocitrate dehydrogenase 1 (IDH1): qHTS. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 100 uM PUBCHEM_BIOASSAY: HTS for Inhibitors of HP1-beta Chromodomain Interactions with Methylated Histone Tails. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID488962] ChEMBL. No reference
Potency (functional) 141.2538 uM PubChem BioAssay. qHTS of PTHR Inhibitors: Primary Screen. (Class of assay: confirmatory) ChEMBL. No reference

Phenotypes

Whole-cell/tissue/organism interactions

We have no records of whole-cell/tissue assays done with this compound What does this mean?

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

Annotated phenotypes:

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

External resources for this compound

Bibliographic References

No literature references available for this target.

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