Detailed information for compound 411244

Basic information

Technical information
  • TDR Targets ID: 411244
  • Name: 5-chloro-6-[2,6-difluoro-4-(3-morpholin-4-ylp ropoxy)phenyl]-N-[(2S)-1,1,1-trifluoropropan- 2-yl]-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine hydrochloride
  • MW: 557.344 | Formula: C21H23Cl2F5N6O2
  • H donors: 1 H acceptors: 3 LogP: 5.54 Rotable bonds: 9
    Rule of 5 violations (Lipinski): 2
  • SMILES: C[C@@H](C(F)(F)F)Nc1c(c(Cl)nc2n1ncn2)c1c(F)cc(cc1F)OCCCN1CCOCC1.Cl
  • InChi: 1S/C21H22ClF5N6O2.ClH/c1-12(21(25,26)27)30-19-17(18(22)31-20-28-11-29-33(19)20)16-14(23)9-13(10-15(16)24)35-6-2-3-32-4-7-34-8-5-32;/h9-12,30H,2-8H2,1H3;1H/t12-;/m0./s1
  • InChiKey: ZWPDJSRJBFLAOZ-YDALLXLXSA-N  


Substructure search Similarity search

Network

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Synonyms

  • 5-chloro-6-[2,6-difluoro-4-(3-morpholinopropoxy)phenyl]-N-[(1S)-2,2,2-trifluoro-1-methyl-ethyl]-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine hydrochloride
  • 5-chloro-6-[2,6-difluoro-4-(3-morpholinopropoxy)phenyl]-N-[(1S)-2,2,2-trifluoro-1-methylethyl]-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine hydrochloride
  • [5-chloro-6-[2,6-difluoro-4-(3-morpholinopropoxy)phenyl]-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl]-[(1S)-2,2,2-trifluoro-1-methyl-ethyl]amine hydrochloride
  • 5-chloro-6-[2,6-difluoro-4-(3-morpholin-4-ylpropoxy)phenyl]-N-[(2S)-1,1,1-trifluoropropan-2-yl]-[1,2,4]triazolo[5,1-b]pyrimidin-7-amine hydrochloride
  • 5-chloro-6-[2,6-difluoro-4-(3-morpholinopropoxy)phenyl]-N-[(1S)-2,2,2-trifluoro-1-methyl-ethyl]-[1,2,4]triazolo[5,1-b]pyrimidin-7-amine hydrochloride
  • 5-chloro-6-[2,6-difluoro-4-(3-morpholinopropoxy)phenyl]-N-[(1S)-2,2,2-trifluoro-1-methylethyl]-[1,2,4]triazolo[5,1-b]pyrimidin-7-amine hydrochloride
  • [5-chloro-6-[2,6-difluoro-4-(3-morpholinopropoxy)phenyl]-[1,2,4]triazolo[5,1-b]pyrimidin-7-yl]-[(1S)-2,2,2-trifluoro-1-methyl-ethyl]amine hydrochloride

Targets

Known targets for this compound

No curated genes were found associated with this compound

Predicted pathogen targets for this compound

By orthology
No druggable targets predicted by orthology data
By sequence similarity to non orthologous known druggable targets
No druggable targets predicted by sequence similarity
Obtained from network model

Ranking Plot

Putative Targets List

Species Potential target Raw Global Species
Schistosoma mansoni gcn5proteinral control of amino-acid synthesis 5-like 2 gcnl2 0.0146 0.1545 0.1961
Schistosoma mansoni nuclear hormone receptor nor-1/nor-2 0.001 0.0022 0.0028
Schistosoma mansoni hypothetical protein 0.004 0.0356 0.0451
Onchocerca volvulus 0.0231 0.2504 0.316
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0142 0.1501 0.1501
Brugia malayi Nuclear hormone receptor family member nhr-25 0.001 0.0022 0.0004
Schistosoma mansoni alpha glucosidase 0.0035 0.0303 0.0384
Loa Loa (eye worm) GTP-binding regulatory protein Gs alpha-S chain 0.0142 0.1501 0.1903
Echinococcus granulosus neutral alpha glucosidase AB 0.0035 0.0303 0.0384
Loa Loa (eye worm) hypothetical protein 0.0072 0.0714 0.0903
Toxoplasma gondii glycosyl hydrolase, family 31 protein 0.0035 0.0303 0.0355
Trypanosoma cruzi PAB1-binding protein , putative 0.0028 0.0221 0.0252
Mycobacterium ulcerans fusion of enoyl-CoA hydratase, EchA21 and lipase, LipE 0.0072 0.0714 1
Leishmania major cytochrome p450-like protein 0.0019 0.0119 0.0122
Schistosoma mansoni cpg binding protein 0.0029 0.0231 0.0293
Brugia malayi Ligand-binding domain of nuclear hormone receptor family protein 0.001 0.0022 0.0004
Schistosoma mansoni hypothetical protein 0.0013 0.0048 0.0062
Plasmodium falciparum histone acetyltransferase GCN5 0.0039 0.0349 0.0167
Schistosoma mansoni Tr4/Tr2 (homologue) 0.001 0.0022 0.0028
Brugia malayi Nuclear hormone receptor family member nhr-40 0.001 0.0022 0.0004
Brugia malayi hypothetical protein 0.0028 0.0221 0.0258
Brugia malayi eukaryotic initiation factor 4A 0.071 0.7875 1
Trichomonas vaginalis alpha-glucosidase, putative 0.0035 0.0303 0.0317
Mycobacterium tuberculosis Probable conserved lipoprotein 0.0072 0.0714 0.0879
Mycobacterium tuberculosis Probable lipase LipE 0.0072 0.0714 0.0879
Schistosoma mansoni transcription factor LCR-F1 0.004 0.0356 0.0451
Trichomonas vaginalis maltase-glucoamylase, putative 0.0035 0.0303 0.0317
Mycobacterium tuberculosis Conserved protein 0.0072 0.0714 0.0879
Echinococcus multilocularis dnaJ subfamily B 0.041 0.4509 0.4509
Brugia malayi nuclear hormone receptor 0.001 0.0022 0.0004
Echinococcus multilocularis 0.001 0.0024 0.0024
Echinococcus granulosus dnaJ subfamily B 0.041 0.4509 0.5725
Loa Loa (eye worm) hypothetical protein 0.001 0.0022 0.0023
Loa Loa (eye worm) hypothetical protein 0.001 0.0022 0.0023
Loa Loa (eye worm) beta-LACTamase domain containing family member 0.0072 0.0714 0.0903
Trypanosoma brucei PAB1-binding protein , putative 0.0028 0.0221 0.0252
Mycobacterium leprae conserved hypothetical protein 0.0072 0.0714 1
Plasmodium falciparum eukaryotic initiation factor 4A 0.071 0.7875 1
Loa Loa (eye worm) nuclear hormone receptor family member nhr-41 0.001 0.0022 0.0023
Mycobacterium tuberculosis Probable esterase LipL 0.0072 0.0714 0.0879
Toxoplasma gondii LsmAD domain-containing protein 0.0028 0.0221 0.0252
Mycobacterium tuberculosis Possible penicillin-binding protein 0.0459 0.506 0.6414
Brugia malayi calcium-independent alpha-latrotoxin receptor 2, putative 0.0031 0.0253 0.0298
Entamoeba histolytica hypothetical protein 0.004 0.0356 0.0384
Brugia malayi Nuclear hormone receptor family member nhr-19 0.001 0.0022 0.0004
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.0097 0.0998 0.1247
Echinococcus granulosus cytochrome P450 2K1 0.001 0.0024 0.003
Trypanosoma brucei Eukaryotic initiation factor 4A-1 0.071 0.7875 1
Trichomonas vaginalis D-aminoacylase, putative 0.0072 0.0714 0.0843
Echinococcus multilocularis lysosomal alpha glucosidase 0.0159 0.1688 0.1688
Echinococcus granulosus Nuclear hormone receptor family member nhr 41 0.001 0.0022 0.0028
Echinococcus granulosus ecdysone induced protein 78C 0.001 0.0022 0.0028
Echinococcus multilocularis diuretic hormone 44 receptor GPRdih2 0.0031 0.0253 0.0253
Entamoeba histolytica glycosyl hydrolase, family 31 protein 0.0035 0.0303 0.0317
Schistosoma mansoni FTZ-F1 nuclear receptor-like protein 0.001 0.0022 0.0028
Loa Loa (eye worm) hypothetical protein 0.001 0.0022 0.0023
Schistosoma mansoni coup transcription factor 0.001 0.0022 0.0028
Onchocerca volvulus Eukaryotic initiation factor 4A homolog 0.071 0.7875 1
Leishmania major glycosyl hydrolase-like protein 0.0013 0.0055 0.004
Echinococcus multilocularis Ataxin 2, N terminal,domain containing protein 0.0013 0.0048 0.0048
Trypanosoma cruzi Eukaryotic initiation factor 4A-1 0.071 0.7875 1
Echinococcus granulosus histone acetyltransferase KAT2B 0.0043 0.0389 0.0494
Toxoplasma gondii histone lysine acetyltransferase GCN5-B 0.0043 0.0389 0.0465
Plasmodium vivax RNA helicase-1, putative 0.071 0.7875 1
Loa Loa (eye worm) pigment dispersing factor receptor c 0.0097 0.0998 0.1263
Loa Loa (eye worm) RNA recognition domain-containing protein domain-containing protein 0.0068 0.0673 0.085
Trichomonas vaginalis alpha-glucosidase, putative 0.0035 0.0303 0.0317
Brugia malayi Ligand-binding domain of nuclear hormone receptor family protein 0.001 0.0022 0.0004
Echinococcus granulosus geminin 0.0188 0.2017 0.2561
Entamoeba histolytica acetyltransferase, GNAT family 0.0039 0.0349 0.0376
Schistosoma mansoni alpha-glucosidase 0.0137 0.144 0.1828
Onchocerca volvulus 0.0092 0.0937 0.1165
Trichomonas vaginalis penicillin-binding protein, putative 0.0072 0.0714 0.0843
Echinococcus multilocularis neutral alpha glucosidase AB 0.0035 0.0303 0.0303
Loa Loa (eye worm) latrophilin receptor protein 2 0.0031 0.0253 0.0317
Schistosoma mansoni hypothetical protein 0.0031 0.0253 0.0321
Trichomonas vaginalis sucrase-isomaltase, putative 0.0035 0.0303 0.0317
Loa Loa (eye worm) cytochrome P450 0.001 0.0024 0.0026
Trichomonas vaginalis set domain proteins, putative 0.0231 0.2504 0.3131
Onchocerca volvulus 0.0072 0.0714 0.0881
Echinococcus multilocularis histone lysine methyltransferase setb histone lysine methyltransferase eggless 0.003 0.0241 0.0241
Brugia malayi latrophilin 2 splice variant baaae 0.0066 0.0653 0.0808
Brugia malayi Glycosyl hydrolases family 31 protein 0.0035 0.0303 0.0362
Schistosoma mansoni cpg binding protein 0.003 0.0249 0.0316
Loa Loa (eye worm) hypothetical protein 0.071 0.7875 1
Echinococcus granulosus beta LACTamase domain containing family member 0.0072 0.0714 0.0907
Loa Loa (eye worm) hypothetical protein 0.0031 0.0253 0.0317
Schistosoma mansoni RAR-like nuclear receptor 0.001 0.0022 0.0028
Brugia malayi RNA binding protein 0.0068 0.0673 0.0833
Brugia malayi Nuclear hormone receptor family member nhr-1 0.001 0.0022 0.0004
Brugia malayi Pre-SET motif family protein 0.0203 0.2189 0.2763
Trypanosoma brucei glycosyl hydrolase-like protein 0.0013 0.0055 0.004
Trypanosoma cruzi hypothetical protein, conserved 0.0035 0.0303 0.0355
Loa Loa (eye worm) glycosyl hydrolase family 31 protein 0.0035 0.0303 0.038
Echinococcus multilocularis Basic leucine zipper (bZIP) transcription 0.004 0.0356 0.0356
Echinococcus granulosus eukaryotic initiation factor 4A 0.071 0.7875 1
Brugia malayi Nuclear hormone receptor family member nhr-41 0.001 0.0022 0.0004
Leishmania major hypothetical protein, conserved 0.0028 0.0221 0.0252
Echinococcus multilocularis nuclear receptor 2DBD gamma 0.001 0.0022 0.0022
Trypanosoma cruzi glycosyl hydrolase-like protein, putative 0.0013 0.0055 0.004
Echinococcus multilocularis Nuclear hormone receptor family member nhr 41 0.001 0.0022 0.0022
Schistosoma mansoni thyroid hormone receptor 0.001 0.0022 0.0028
Trichomonas vaginalis alpha-glucosidase, putative 0.0035 0.0303 0.0317
Schistosoma mansoni cpg binding protein 0.003 0.0249 0.0316
Toxoplasma gondii histone lysine methyltransferase SET/SUV39 0.003 0.0241 0.0277
Schistosoma mansoni photoreceptor-specific nuclear receptor related 0.001 0.0022 0.0028
Brugia malayi Cytochrome P450 family protein 0.0029 0.0232 0.0272
Trypanosoma cruzi hypothetical protein, conserved 0.0035 0.0303 0.0355
Brugia malayi Nuclear hormone receptor-like 1 0.001 0.0022 0.0004
Echinococcus multilocularis ecdysone induced protein 78C 0.001 0.0022 0.0022
Onchocerca volvulus 0.0072 0.0714 0.0881
Echinococcus multilocularis histone lysine N methyltransferase SETMAR 0.003 0.0241 0.0241
Trypanosoma brucei hypothetical protein, conserved 0.0072 0.0714 0.0879
Echinococcus multilocularis GPCR, family 2 0.0031 0.0253 0.0253
Loa Loa (eye worm) hypothetical protein 0.001 0.0022 0.0023
Schistosoma mansoni tar DNA-binding protein 0.0068 0.0673 0.0854
Schistosoma mansoni hypothetical protein 0.001 0.0024 0.003
Toxoplasma gondii histone lysine methyltransferase SET1 0.0059 0.0572 0.0698
Trypanosoma cruzi Eukaryotic initiation factor 4A-1 0.071 0.7875 1
Schistosoma mansoni mixed-lineage leukemia protein mll 0.0062 0.0605 0.0768
Schistosoma mansoni family S12 unassigned peptidase (S12 family) 0.0072 0.0714 0.0907
Brugia malayi beta-lactamase family protein 0.0072 0.0714 0.0885
Schistosoma mansoni family S12 unassigned peptidase (S12 family) 0.0072 0.0714 0.0907
Brugia malayi Glycosyl hydrolases family 31 protein 0.0159 0.1688 0.2125
Brugia malayi Glycosyl hydrolases family 31 protein 0.0013 0.0055 0.0046
Echinococcus multilocularis tar DNA binding protein 0.0068 0.0673 0.0673
Echinococcus granulosus nuclear receptor 2DBD gamma 0.001 0.0022 0.0028
Mycobacterium tuberculosis Possible conserved lipoprotein LpqK 0.0072 0.0714 0.0879
Loa Loa (eye worm) hypothetical protein 0.0072 0.0714 0.0903
Brugia malayi nuclear receptor NHR-88 0.001 0.0022 0.0004
Loa Loa (eye worm) hypothetical protein 0.0066 0.0653 0.0825
Brugia malayi photoreceptor-specific nuclear receptor 0.001 0.0022 0.0004
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0142 0.1501 0.1907
Entamoeba histolytica DEAD/DEAH box helicase, putative 0.071 0.7875 1
Schistosoma mansoni hypothetical protein 0.0188 0.2017 0.2561
Trichomonas vaginalis alpha-glucosidase, putative 0.0035 0.0303 0.0317
Leishmania major hypothetical protein, conserved 0.0072 0.0714 0.0879
Echinococcus multilocularis FTZ F1 nuclear receptor protein 0.001 0.0022 0.0022
Schistosoma mansoni hypothetical protein 0.0031 0.0253 0.0321
Brugia malayi Steroid receptor seven-up type 2 0.001 0.0022 0.0004
Brugia malayi RNA recognition motif domain containing protein 0.0068 0.0673 0.0833
Echinococcus granulosus histone acetyltransferase KAT2B 0.0142 0.1499 0.1903
Echinococcus granulosus hepatocyte nuclear factor 4 alpha 0.001 0.0022 0.0028
Loa Loa (eye worm) TAR-binding protein 0.0068 0.0673 0.085
Echinococcus granulosus cpg binding protein 0.003 0.0249 0.0316
Loa Loa (eye worm) hypothetical protein 0.0072 0.0714 0.0903
Echinococcus multilocularis gcn5proteinral control of amino acid synthesis 0.0146 0.1545 0.1545
Echinococcus granulosus COUP TF:Svp nuclear hormone receptor 0.001 0.0022 0.0028
Loa Loa (eye worm) hypothetical protein 0.0072 0.0714 0.0903
Loa Loa (eye worm) nuclear hormone receptor family member nhr-1 0.001 0.0022 0.0023
Echinococcus granulosus nuclear receptor 2DBD gamma 0.001 0.0022 0.0028
Echinococcus multilocularis histone lysine N methyltransferase MLL3 0.001 0.002 0.002
Mycobacterium tuberculosis Conserved protein 0.0072 0.0714 0.0879
Schistosoma mansoni hypothetical protein 0.0031 0.0253 0.0321
Echinococcus multilocularis beta LACTamase domain containing family member 0.0072 0.0714 0.0714
Echinococcus multilocularis cadherin EGF LAG seven pass G type receptor 0.0031 0.0253 0.0253
Brugia malayi CXXC zinc finger family protein 0.0029 0.0231 0.027
Mycobacterium tuberculosis Probable hydrolase 0.0072 0.0714 0.0879
Loa Loa (eye worm) hypothetical protein 0.0072 0.0714 0.0903
Schistosoma mansoni DEAD box ATP-dependent RNA helicase 0.071 0.7875 1
Trichomonas vaginalis DEAD box ATP-dependent RNA helicase, putative 0.071 0.7875 1
Echinococcus multilocularis lysosomal alpha glucosidase 0.0159 0.1688 0.1688
Echinococcus multilocularis eukaryotic initiation factor 4A III 0.071 0.7875 0.7875
Mycobacterium leprae Probable lipase LipE 0.0072 0.0714 1
Entamoeba histolytica hypothetical protein 0.004 0.0356 0.0384
Schistosoma mansoni tar DNA-binding protein 0.0068 0.0673 0.0854
Echinococcus multilocularis cpg binding protein 0.003 0.0249 0.0249
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.003 0.0241 0.0306
Loa Loa (eye worm) glycosyl hydrolase family 31 protein 0.0159 0.1688 0.2139
Trypanosoma cruzi cytochrome P450, putative 0.0019 0.0119 0.0122
Loa Loa (eye worm) hypothetical protein 0.001 0.0022 0.0023
Echinococcus multilocularis nuclear receptor 2DBD gamma 0.001 0.0022 0.0022
Loa Loa (eye worm) hypothetical protein 0.003 0.0241 0.0302
Loa Loa (eye worm) nuclear hormone receptor family member nhr-14 0.001 0.0022 0.0023
Echinococcus granulosus tar DNA binding protein 0.0068 0.0673 0.0854
Brugia malayi Latrophilin receptor protein 2 0.0031 0.0253 0.0298
Echinococcus multilocularis FTZ F1 alpha 0.001 0.0022 0.0022
Entamoeba histolytica glycosyl hydrolase, family 31 protein 0.0035 0.0303 0.0317
Loa Loa (eye worm) hypothetical protein 0.001 0.0022 0.0023
Echinococcus granulosus cadherin EGF LAG seven pass G type receptor 0.0031 0.0253 0.0321
Trypanosoma cruzi cytochrome P450, putative 0.0019 0.0119 0.0122
Echinococcus multilocularis thyroid hormone receptor alpha 0.001 0.0022 0.0022
Echinococcus multilocularis hepatocyte nuclear factor 4 alpha 0.001 0.0022 0.0022
Trichomonas vaginalis alpha-glucosidase, putative 0.0035 0.0303 0.0317
Mycobacterium tuberculosis Probable lipase LipD 0.0072 0.0714 0.0879
Echinococcus granulosus FTZ F1 nuclear receptor protein 0.001 0.0022 0.0028
Trypanosoma cruzi hypothetical protein, conserved 0.0072 0.0714 0.0879
Mycobacterium tuberculosis Probable cold-shock DeaD-box protein A homolog DeaD (ATP-dependent RNA helicase dead homolog) 0.071 0.7875 1
Echinococcus granulosus diuretic hormone 44 receptor GPRdih2 0.0031 0.0253 0.0321
Loa Loa (eye worm) hypothetical protein 0.0028 0.0221 0.0277
Brugia malayi Cytochrome P450 family protein 0.001 0.0024 0.0007
Brugia malayi Pre-SET motif family protein 0.003 0.0241 0.0283
Loa Loa (eye worm) hypothetical protein 0.0072 0.0714 0.0903
Brugia malayi hypothetical protein 0.004 0.0356 0.0429
Echinococcus granulosus lysosomal alpha glucosidase 0.0159 0.1688 0.2143
Plasmodium vivax hypothetical protein, conserved 0.0072 0.0714 0.0644
Loa Loa (eye worm) nuclear hormone receptor family member nhr-40 0.001 0.0022 0.0023
Brugia malayi Nuclear hormone receptor family member nhr-31 0.001 0.0022 0.0004
Plasmodium vivax SET domain protein, putative 0.003 0.0241 0.0026
Loa Loa (eye worm) histone methyltransferase 0.001 0.002 0.0021
Loa Loa (eye worm) hypothetical protein 0.001 0.0022 0.0023
Trichomonas vaginalis D-aminoacylase, putative 0.0072 0.0714 0.0843
Schistosoma mansoni histone-lysine n-methyltransferase suv9 0.003 0.0241 0.0306
Trichomonas vaginalis bromodomain-containing protein, putative 0.0043 0.0389 0.0427
Loa Loa (eye worm) CYP4Cod1 0.0019 0.0119 0.0147
Schistosoma mansoni hypothetical protein 0.041 0.4509 0.5725
Schistosoma mansoni cytochrome P450 0.001 0.0024 0.003
Echinococcus granulosus Basic leucine zipper bZIP transcription 0.004 0.0356 0.0451
Loa Loa (eye worm) acetyltransferase 0.0146 0.1545 0.1958
Treponema pallidum ATP-dependent RNA helicase 0.071 0.7875 0.5
Onchocerca volvulus 0.0072 0.0714 0.0881
Brugia malayi Cytochrome P450 family protein 0.0019 0.0119 0.0129
Brugia malayi ecdysteroid receptor 0.001 0.0022 0.0004
Brugia malayi cytochrome P450 0.001 0.0024 0.0007
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0142 0.1501 0.1907
Loa Loa (eye worm) cytochrome P450 family protein 0.0019 0.0119 0.0147
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0142 0.1501 0.1907
Trichomonas vaginalis DEAD box ATP-dependent RNA helicase, putative 0.071 0.7875 1
Mycobacterium ulcerans cytochrome P450 185A4 Cyp185A4 0.0019 0.0119 0.1386
Leishmania major alpha glucosidase II subunit, putative 0.0035 0.0303 0.0355
Mycobacterium tuberculosis Probable esterase/lipase LipP 0.0072 0.0714 0.0879
Trichomonas vaginalis cat eye syndrome critical region protein 2, cscr2, putative 0.0043 0.0389 0.0427
Onchocerca volvulus 0.003 0.0241 0.0279
Schistosoma mansoni tar DNA-binding protein 0.0068 0.0673 0.0854
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.003 0.0241 0.0306
Trichomonas vaginalis neutral alpha-glucosidase ab precursor, putative 0.0035 0.0303 0.0317
Echinococcus multilocularis COUP TF:Svp nuclear hormone receptor 0.001 0.0022 0.0022
Echinococcus granulosus Ataxin 2 N terminaldomain containing protein 0.0013 0.0048 0.0062
Schistosoma mansoni nuclear hormone receptor 0.001 0.0022 0.0028
Entamoeba histolytica hypothetical protein 0.004 0.0356 0.0384
Onchocerca volvulus 0.0029 0.0231 0.0266
Brugia malayi Nuclear hormone receptor family member nhr-49 0.001 0.0022 0.0004
Schistosoma mansoni retinoic acid receptor RXR 0.001 0.0022 0.0028
Schistosoma mansoni tar DNA-binding protein 0.0068 0.0673 0.0854
Trichomonas vaginalis D-aminoacylase, putative 0.0072 0.0714 0.0843
Schistosoma mansoni thyroid hormone receptor 0.001 0.0022 0.0028
Echinococcus multilocularis eukaryotic initiation factor 4A 0.071 0.7875 0.7875
Toxoplasma gondii histone lysine acetyltransferase GCN5-A 0.0043 0.0389 0.0465
Toxoplasma gondii eukaryotic initiation factor-4A, putative 0.071 0.7875 1
Loa Loa (eye worm) pre-SET domain-containing protein family protein 0.0203 0.2189 0.2777
Brugia malayi acetyltransferase, GNAT family protein 0.0146 0.1545 0.1942
Mycobacterium ulcerans beta-lactamase 0.0072 0.0714 1
Trypanosoma brucei cytochrome P450, putative 0.0019 0.0119 0.0122
Schistosoma mansoni hypothetical protein 0.0066 0.0653 0.0829
Trichomonas vaginalis neutral alpha-glucosidase ab precursor, putative 0.0035 0.0303 0.0317
Trypanosoma cruzi hypothetical protein, conserved 0.0072 0.0714 0.0879
Mycobacterium ulcerans lipase LipD 0.0072 0.0714 1
Schistosoma mansoni tar DNA-binding protein 0.0068 0.0673 0.0854
Mycobacterium ulcerans hypothetical protein 0.0072 0.0714 1
Trichomonas vaginalis esterase, putative 0.0072 0.0714 0.0843
Trypanosoma cruzi PAB1-binding protein , putative 0.0028 0.0221 0.0252
Brugia malayi hypothetical protein 0.0018 0.011 0.0117
Toxoplasma gondii ABC1 family protein 0.0072 0.0714 0.0879
Loa Loa (eye worm) hypothetical protein 0.001 0.0022 0.0023
Loa Loa (eye worm) cytochrome P450 family protein 0.0019 0.0119 0.0147
Loa Loa (eye worm) CXXC zinc finger family protein 0.0029 0.0231 0.0289
Brugia malayi beta-lactamase 0.0072 0.0714 0.0885
Brugia malayi Calcitonin receptor-like protein seb-1 0.0097 0.0998 0.1247
Brugia malayi Nuclear hormone receptor family member nhr-19 0.001 0.0022 0.0004
Loa Loa (eye worm) nuclear Hormone Receptor family member 0.001 0.0022 0.0023
Brugia malayi Nuclear hormone receptor family member nhr-14 0.001 0.0022 0.0004
Leishmania major eukaryotic initiation factor 4a, putative 0.071 0.7875 1
Echinococcus granulosus 5'partial|histone lysine N methyltransferase SETDB2 0.0028 0.0222 0.0282
Echinococcus multilocularis geminin 0.0188 0.2017 0.2017
Trypanosoma cruzi glycosyl hydrolase-like protein, putative 0.0013 0.0055 0.004
Echinococcus granulosus FTZ F1 alpha 0.001 0.0022 0.0028
Brugia malayi Nuclear hormone receptor family member nhr-3 0.001 0.0022 0.0004
Schistosoma mansoni nuclear receptor 2DBD-gamma 0.001 0.0022 0.0028
Schistosoma mansoni hypothetical protein 0.0188 0.2017 0.2561
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0142 0.1501 0.1907
Schistosoma mansoni retinoid-x-receptor (RXR) 0.001 0.0022 0.0028
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0142 0.1501 0.1907
Trichomonas vaginalis penicillin-binding protein, putative 0.0072 0.0714 0.0843
Echinococcus granulosus retinoic acid receptor rxr beta a 0.001 0.0022 0.0028
Trichomonas vaginalis DEAD box ATP-dependent RNA helicase, putative 0.071 0.7875 1
Entamoeba histolytica hypothetical protein 0.004 0.0356 0.0384
Brugia malayi steroid hormone receptor 0.001 0.0022 0.0004
Schistosoma mansoni alpha-glucosidase 0.0137 0.144 0.1828
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0142 0.1501 0.1501
Echinococcus granulosus histone lysine methyltransferase setb 0.003 0.0241 0.0306
Loa Loa (eye worm) RNA binding protein 0.0068 0.0673 0.085
Schistosoma mansoni DEAD box ATP-dependent RNA helicase 0.071 0.7875 1
Brugia malayi beta-lactamase family protein 0.0072 0.0714 0.0885
Loa Loa (eye worm) nuclear hormone receptor family member nhr-31 0.001 0.0022 0.0023
Trypanosoma brucei glucosidase, putative 0.0035 0.0303 0.0355
Loa Loa (eye worm) hypothetical protein 0.0097 0.0998 0.1263
Mycobacterium tuberculosis Conserved protein 0.0072 0.0714 0.0879
Plasmodium vivax histone acetyltransferase GCN5, putative 0.0043 0.0389 0.0219
Brugia malayi TAR-binding protein 0.0068 0.0673 0.0833
Brugia malayi GTP-binding regulatory protein Gs alpha-S chain, putative 0.0142 0.1501 0.1888
Leishmania major eukaryotic initiation factor 4a, putative 0.071 0.7875 1
Mycobacterium ulcerans esterase/lipase LipP 0.0072 0.0714 1
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.003 0.0241 0.0306
Loa Loa (eye worm) cytochrome P450 family protein 0.0029 0.0232 0.0291
Brugia malayi Nuclear hormone receptor family member nhr-25 0.001 0.0022 0.0004
Loa Loa (eye worm) beta-lactamase 0.0072 0.0714 0.0903
Schistosoma mansoni steroid hormone receptor ad4bp 0.001 0.0022 0.0028
Loa Loa (eye worm) nuclear hormone receptor family member nhr-49 0.001 0.0022 0.0023
Brugia malayi Cytochrome P450 family protein 0.0019 0.0119 0.0129
Schistosoma mansoni hypothetical protein 0.0031 0.0253 0.0321
Echinococcus granulosus GPCR family 2 0.0031 0.0253 0.0321
Loa Loa (eye worm) steroid hormone receptor 0.001 0.0022 0.0023
Loa Loa (eye worm) hypothetical protein 0.0013 0.0055 0.0065
Giardia lamblia Translation initiation factor eIF-4A, putative 0.071 0.7875 1
Echinococcus granulosus histone lysine N methyltransferase MLL3 0.001 0.002 0.0025
Onchocerca volvulus Uncharacterized family 31 glucosidase KIAA1161 homolog 0.0013 0.0055 0.0042
Brugia malayi Hypothetical 52.5 kDa protein ZK945.1 in chromosome II, putative 0.0072 0.0714 0.0885
Echinococcus granulosus eukaryotic initiation factor 4A III 0.071 0.7875 1

Activities

Activity type Activity value Assay description Source Reference
Activity (functional) 0 Antitumor activity against U87-MG cells xenografted in orally dosed athymic nu/nu mouse ChEMBL. 17228873
Activity (functional) 0 Antitumor activity against U87-MG cells xenografted in iv dosed athymic nu/nu mouse ChEMBL. 17228873
IC50 (ADMET) = 51 nM Cytotoxicity against COLO205 cells ChEMBL. 17228873
IC50 (ADMET) = 51 nM Cytotoxicity against COLO205 cells ChEMBL. 17228873

Phenotypes

Whole-cell/tissue/organism interactions

Species name Source Reference Is orphan
Homo sapiens ChEMBL23 17228873

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

1 literature reference was collected for this gene.

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