Detailed information for compound 440258

Basic information

Technical information
  • TDR Targets ID: 440258
  • Name: 7-methyl-2-(2-methylpropyl)-3-propan-2-yl-2H- pyrano[3,2-c]pyran-5-one
  • MW: 262.344 | Formula: C16H22O3
  • H donors: 0 H acceptors: 1 LogP: 3.62 Rotable bonds: 3
    Rule of 5 violations (Lipinski): 1
  • SMILES: CC(CC1Oc2cc(C)oc(=O)c2C=C1C(C)C)C
  • InChi: 1S/C16H22O3/c1-9(2)6-14-12(10(3)4)8-13-15(19-14)7-11(5)18-16(13)17/h7-10,14H,6H2,1-5H3
  • InChiKey: LVFNULNFBKGVBP-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

  • 2-isobutyl-3-isopropyl-7-methyl-2H-pyrano[3,2-c]pyran-5-one
  • 7-methyl-2-(2-methylpropyl)-3-propan-2-yl-2H-pyrano[5,6-c]pyran-5-one
  • 2-isobutyl-3-isopropyl-7-methyl-2H-pyrano[5,6-c]pyran-5-one

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
Loa Loa (eye worm) hypothetical protein 0.0129 0.1453 0.1453
Echinococcus granulosus Glutamate receptor ionotropic kainate 2 0.005 0.0344 0.0234
Loa Loa (eye worm) glutamate receptor 0.0047 0.0296 0.0296
Trichomonas vaginalis chromatin regulatory protein sir2, putative 0.0151 0.1771 0.1677
Schistosoma mansoni cytosol alanyl aminopeptidase (M01 family) 0.0034 0.0112 0.0102
Brugia malayi Histone deacetylase family protein 0.0214 0.2661 0.2661
Trichomonas vaginalis D-aminoacylase, putative 0.0077 0.0719 0.0613
Brugia malayi beta-lactamase 0.0077 0.0719 0.0719
Loa Loa (eye worm) hypothetical protein 0.0086 0.0843 0.0843
Plasmodium vivax histone deacetylase 2, putative 0.0214 0.2661 0.5654
Giardia lamblia Histone deacetylase 0.0359 0.4707 0.4429
Loa Loa (eye worm) hypothetical protein 0.0077 0.0719 0.0719
Echinococcus multilocularis metabotropic glutamate receptor 5 0.0056 0.0425 0.0316
Brugia malayi Metabotropic glutamate receptor precursor. 0.0047 0.0296 0.0296
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0047 0.0298 0.0187
Onchocerca volvulus Histone deacetylase 10 homolog 0.0129 0.1453 1
Trypanosoma cruzi Peptide deformylase 2, putative 0.009 0.0912 0.0912
Echinococcus granulosus Basic leucine zipper bZIP transcription 0.0036 0.0146 0.0034
Trypanosoma cruzi Silent information regulator 2 related protein 3 0.0151 0.1771 0.1771
Brugia malayi Histone deacetylase 1 0.0359 0.4707 0.4707
Brugia malayi MH2 domain containing protein 0.012 0.1331 0.1331
Entamoeba histolytica NAD-dependent deacetylase 1, putative 0.0151 0.1771 0.1677
Plasmodium falciparum cysteine repeat modular protein 1 0.0035 0.0125 0.0266
Trypanosoma cruzi Peptide deformylase 2, putative 0.009 0.0912 0.0912
Trichomonas vaginalis penicillin-binding protein, putative 0.0077 0.0719 0.0613
Loa Loa (eye worm) hypothetical protein 0.0053 0.0388 0.0388
Plasmodium vivax histone deacetylase, putative 0.0129 0.1453 0.3087
Loa Loa (eye worm) histone deacetylase 3 0.0359 0.4707 0.4707
Plasmodium vivax hypothetical protein, conserved 0.0077 0.0719 0.1528
Trichomonas vaginalis histone deacetylase, putative 0.0359 0.4707 0.4647
Leishmania major sir2-family protein-like protein 0.0151 0.1771 0.1771
Loa Loa (eye worm) hypothetical protein 0.0077 0.0719 0.0719
Giardia lamblia Transcriptional regulator, Sir2 family 0.0151 0.1771 0.1338
Mycobacterium tuberculosis Possible penicillin-binding protein 0.0491 0.6563 1
Trichomonas vaginalis chromatin regulatory protein sir2, putative 0.0151 0.1771 0.1677
Loa Loa (eye worm) hypothetical protein 0.0333 0.4339 0.4339
Schistosoma mansoni chromatin regulatory protein sir2 0.0484 0.6475 0.6471
Loa Loa (eye worm) glutamate receptor 2 0.0039 0.0187 0.0187
Trypanosoma cruzi polypeptide deformylase-like protein, putative 0.009 0.0912 0.0912
Echinococcus multilocularis glutamate receptor NMDA 0.0077 0.0719 0.0614
Echinococcus multilocularis histone deacetylase 6 0.0214 0.2661 0.2578
Entamoeba histolytica hypothetical protein 0.0036 0.0146 0.0034
Loa Loa (eye worm) aminopeptidase N 0.0034 0.0112 0.0112
Loa Loa (eye worm) histone deacetylase 7A 0.0214 0.2661 0.2661
Leishmania major histone deacetylase, putative 0.0214 0.2661 0.2661
Trypanosoma cruzi histone deacetylase, putative 0.0129 0.1453 0.1453
Entamoeba histolytica Sir2 family transcriptional regulator, putative 0.0151 0.1771 0.1677
Echinococcus multilocularis histone deacetylase 6 0.0214 0.2661 0.2578
Trypanosoma cruzi Aminopeptidase M1, putative 0.0034 0.0112 0.0112
Plasmodium falciparum histone deacetylase 1 0.0359 0.4707 1
Trichomonas vaginalis histone deacetylase, putative 0.0359 0.4707 0.4647
Entamoeba histolytica hypothetical protein 0.0036 0.0146 0.0034
Schistosoma mansoni glutamate receptor AMPA 0.0039 0.0187 0.0176
Toxoplasma gondii histone deacetylase SIR2 0.0151 0.1771 0.3762
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0047 0.0298 0.0287
Brugia malayi Inhibitor of Apoptosis domain containing protein 0.0053 0.0388 0.0388
Echinococcus granulosus histone deacetylase 1 0.0359 0.4707 0.4647
Schistosoma mansoni aminopeptidase PILS (M01 family) 0.0049 0.0326 0.0316
Brugia malayi Protein kinase domain containing protein 0.0035 0.0125 0.0125
Echinococcus multilocularis chromatin regulatory protein sir2 0.0734 1 1
Trypanosoma cruzi aminopeptidase, putative 0.0034 0.0112 0.0112
Schistosoma mansoni hypothetical protein 0.0061 0.0499 0.0489
Toxoplasma gondii ABC1 family protein 0.0077 0.0719 0.1528
Schistosoma mansoni histone deacetylase 4 5 0.0214 0.2661 0.2654
Trichomonas vaginalis histone deacetylase, putative 0.0359 0.4707 0.4647
Trypanosoma brucei SIR2-like protein 4, putative 0.0151 0.1771 0.1771
Loa Loa (eye worm) beta-LACTamase domain containing family member 0.0077 0.0719 0.0719
Brugia malayi Histone deacetylase family protein 0.0214 0.2661 0.2661
Echinococcus multilocularis NAD dependent deacetylase sirtuin 6 0.0151 0.1771 0.1677
Mycobacterium ulcerans hypothetical protein 0.0077 0.0719 0.2114
Plasmodium vivax histone deacetylase 1, putative 0.0359 0.4707 1
Trichomonas vaginalis histone deacetylase 1, 2 ,3, putative 0.0359 0.4707 0.4647
Trypanosoma cruzi prefoldin subunit, putative 0.0061 0.0499 0.0499
Brugia malayi metabotropic glutamate receptor subtype 5a (mGluR5a), putative 0.0036 0.0139 0.0139
Echinococcus granulosus histone deacetylase 3 0.0359 0.4707 0.4647
Toxoplasma gondii histone deacetylase HDAC4 0.0129 0.1453 0.3087
Echinococcus granulosus histone deacetylase 7 0.0214 0.2661 0.2578
Brugia malayi Peptidase family M1 containing protein 0.0034 0.0112 0.0112
Entamoeba histolytica hypothetical protein, conserved 0.0151 0.1771 0.1677
Schistosoma mansoni histone deacetylase 1 2 3 0.0129 0.1453 0.1444
Echinococcus multilocularis inhibitor of apoptosis protein 0.0053 0.0388 0.0279
Echinococcus granulosus baculoviral IAP repeat containing protein 0.0053 0.0388 0.0279
Schistosoma mansoni transcription factor LCR-F1 0.0036 0.0146 0.0135
Leishmania major histone deacetylase, putative 0.0214 0.2661 0.2661
Brugia malayi Inhibitor of Apoptosis domain containing protein 0.0053 0.0388 0.0388
Echinococcus granulosus glutamate receptor 2 0.0036 0.0139 0.0027
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0047 0.0298 0.0287
Echinococcus multilocularis glutamate (NMDA) receptor subunit 0.0093 0.0946 0.0843
Plasmodium falciparum transcriptional regulatory protein sir2b 0.0151 0.1771 0.3762
Schistosoma mansoni glutamate receptor kainate 0.0039 0.0187 0.0176
Plasmodium vivax cysteine repeat modular protein 1, putative 0.0035 0.0125 0.0266
Loa Loa (eye worm) hypothetical protein 0.0077 0.0719 0.0719
Schistosoma mansoni family S12 unassigned peptidase (S12 family) 0.0077 0.0719 0.0709
Trypanosoma cruzi polypeptide deformylase-like protein, putative 0.009 0.0912 0.0912
Brugia malayi Trypsin family protein 0.0104 0.1101 0.1101
Echinococcus multilocularis Glutamate receptor, ionotropic kainate 2 0.005 0.0344 0.0234
Echinococcus granulosus glutamate receptor 2 0.005 0.0344 0.0234
Brugia malayi histone deacetylase 3 (HD3) 0.0359 0.4707 0.4707
Loa Loa (eye worm) histone deacetylase 1 0.0359 0.4707 0.4707
Echinococcus granulosus glutamate receptor ionotrophic AMPA 3 0.005 0.0344 0.0234
Trypanosoma cruzi histone deacetylase, putative 0.0214 0.2661 0.2661
Toxoplasma gondii prefoldin subunit 6, putative 0.0061 0.0499 0.1061
Mycobacterium tuberculosis Probable polypeptide deformylase Def (PDF) (formylmethionine deformylase) 0.0237 0.2981 0.3871
Trypanosoma cruzi histone deacetylase, putative 0.0129 0.1453 0.1453
Loa Loa (eye worm) hypothetical protein 0.0104 0.1101 0.1101
Echinococcus multilocularis NAD dependent deacetylase sirtuin 3 0.0734 1 1
Loa Loa (eye worm) sirtuin 4 0.0151 0.1771 0.1771
Leishmania major prefoldin subunit, putative 0.0061 0.0499 0.0499
Loa Loa (eye worm) hypothetical protein 0.0359 0.4707 0.4707
Echinococcus multilocularis glutamate receptor, ionotrophic, AMPA 3 0.005 0.0344 0.0234
Trypanosoma cruzi Silent information regulator 2 related protein 1 0.0734 1 1
Trichomonas vaginalis histone deacetylase 1, 2 ,3, putative 0.0359 0.4707 0.4647
Trypanosoma brucei histone deacetylase 1 0.0359 0.4707 0.4707
Mycobacterium tuberculosis Transcriptional regulatory protein 0.0151 0.1771 0.18
Echinococcus granulosus nmda type glutamate receptor 0.0088 0.0876 0.0773
Brugia malayi KE2 family protein 0.0061 0.0499 0.0499
Plasmodium falciparum peptide deformylase 0.0237 0.2981 0.6334
Onchocerca volvulus 0.0089 0.0887 0.5775
Trypanosoma brucei histone deacetylase 4 0.0214 0.2661 0.2661
Echinococcus multilocularis histone deacetylase 8 0.0129 0.1453 0.1356
Trypanosoma cruzi hypothetical protein, conserved 0.0035 0.0125 0.0125
Schistosoma mansoni glutamate receptor NMDA 0.0093 0.0946 0.0936
Onchocerca volvulus 0.0077 0.0719 0.4525
Plasmodium vivax histone deacetylase, putative 0.0214 0.2661 0.5654
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0047 0.0298 0.0287
Echinococcus multilocularis tissue type plasminogen activator 0.0035 0.0125 0.0013
Trichomonas vaginalis histone deacetylase, putative 0.0359 0.4707 0.4647
Loa Loa (eye worm) hypothetical protein 0.0053 0.0388 0.0388
Entamoeba histolytica hypothetical protein 0.0036 0.0146 0.0034
Echinococcus multilocularis nmda type glutamate receptor 0.0088 0.0876 0.0773
Echinococcus multilocularis histone deacetylase 6 0.0214 0.2661 0.2578
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0047 0.0298 0.0187
Chlamydia trachomatis peptide deformylase 0.0237 0.2981 0.5
Trypanosoma brucei Silent information regulator 2 related protein 1 0.0734 1 1
Leishmania major hypothetical protein, conserved 0.0035 0.0125 0.0125
Schistosoma mansoni inhibitor of apoptosis (iap) domain family member 0.0053 0.0388 0.0378
Brugia malayi Cytochrome P450 family protein 0.0027 0.0014 0.0014
Trypanosoma brucei histone deacetylase 2 0.0129 0.1453 0.1453
Trypanosoma cruzi histone deacetylase, putative 0.0214 0.2661 0.2661
Schistosoma mansoni ATP-binding cassette transporter 0.0039 0.0188 0.0178
Brugia malayi Hypothetical 52.5 kDa protein ZK945.1 in chromosome II, putative 0.0077 0.0719 0.0719
Trypanosoma cruzi histone deacetylase 1, putative 0.0359 0.4707 0.4707
Echinococcus multilocularis baculoviral IAP repeat containing protein 0.0053 0.0388 0.0279
Brugia malayi hypothetical protein 0.0036 0.0146 0.0146
Schistosoma mansoni subfamily S1A unassigned peptidase (S01 family) 0.0104 0.1101 0.1091
Echinococcus granulosus beta LACTamase domain containing family member 0.0077 0.0719 0.0613
Toxoplasma gondii kringle domain-containing protein 0.0035 0.0125 0.0266
Onchocerca volvulus Deterin homolog 0.0053 0.0388 0.2059
Echinococcus multilocularis metabotropic glutamate receptor 2 0.004 0.0206 0.0094
Echinococcus granulosus metabotropic glutamate receptor 2 0.004 0.0206 0.0094
Echinococcus granulosus NAD dependent deacetylase sirtuin 3 0.0734 1 1
Schistosoma mansoni chromatin regulatory protein sir2 0.0151 0.1771 0.1762
Trichomonas vaginalis D-aminoacylase, putative 0.0077 0.0719 0.0613
Toxoplasma gondii histone deacetylase SIR2-like 0.0151 0.1771 0.3762
Schistosoma mansoni histone deacetylase hda2 0.0129 0.1453 0.1444
Plasmodium falciparum transcriptional regulatory protein sir2a 0.0151 0.1771 0.3762
Schistosoma mansoni hypothetical protein 0.0035 0.0125 0.0115
Schistosoma mansoni chromatin regulatory protein sir2 0.0151 0.1771 0.1762
Loa Loa (eye worm) transcription factor SMAD2 0.012 0.1331 0.1331
Trichomonas vaginalis histone deacetylase, putative 0.0359 0.4707 0.4647
Entamoeba histolytica Sir2 family transcriptional regulator, putative 0.0734 1 1
Echinococcus granulosus glutamate receptor NMDA 0.0077 0.0719 0.0614
Schistosoma mansoni chromatin regulatory protein sir2 0.0734 1 1
Schistosoma mansoni metabotropic glutamate receptor 0.004 0.0206 0.0195
Echinococcus granulosus metabotropic glutamate receptor 5 0.0056 0.0425 0.0316
Giardia lamblia Hypothetical protein 0.0734 1 1
Brugia malayi Glutamate receptor 1 precursor 0.0039 0.0187 0.0187
Echinococcus granulosus histone deacetylase 0.0214 0.2661 0.2578
Trichomonas vaginalis chromatin regulatory protein sir2, putative 0.0151 0.1771 0.1677
Wolbachia endosymbiont of Brugia malayi peptide deformylase 0.0237 0.2981 0.5
Trypanosoma cruzi histone deacetylase 1, putative 0.0359 0.4707 0.4707
Toxoplasma gondii PAN domain-containing protein 0.0297 0.3827 0.8131
Plasmodium vivax NAD-dependent deacetylase, putative 0.0151 0.1771 0.3762
Leishmania major polypeptide deformylase-like protein, putative 0.009 0.0912 0.0912
Giardia lamblia NAD-dependent histone deacetylase Sir2 0.0484 0.6475 0.629
Schistosoma mansoni metabotropic glutamate receptor 2 3 (mglur group 2) 0.0045 0.0268 0.0257
Plasmodium vivax hypothetical protein, conserved 0.0151 0.1771 0.3762
Echinococcus granulosus NAD dependent deacetylase sirtuin 7 0.0151 0.1771 0.1677
Leishmania major aminopeptidase, putative,metallo-peptidase, Clan MA(E), Family M1 0.0034 0.0112 0.0112
Loa Loa (eye worm) hypothetical protein 0.0056 0.0425 0.0425
Loa Loa (eye worm) hypothetical protein 0.0061 0.0499 0.0499
Echinococcus granulosus prefoldin subunit 6 0.0061 0.0499 0.0391
Echinococcus multilocularis histone deacetylase 7 0.0214 0.2661 0.2578
Loa Loa (eye worm) hypothetical protein 0.0484 0.6475 0.6475
Loa Loa (eye worm) glutamate receptor 1 0.0039 0.0187 0.0187
Trichomonas vaginalis D-aminoacylase, putative 0.0077 0.0719 0.0613
Onchocerca volvulus 0.0104 0.1101 0.7372
Brugia malayi Peptidase family M1 containing protein 0.0034 0.0112 0.0112
Plasmodium vivax prefoldin subunit 6, putative 0.0061 0.0499 0.1061
Mycobacterium ulcerans peptide deformylase 0.0237 0.2981 1
Trypanosoma brucei Peptide deformylase 2 0.009 0.0912 0.0912
Trypanosoma cruzi prefoldin subunit, putative 0.0061 0.0499 0.0499
Entamoeba histolytica histone deacetylase, putative 0.0359 0.4707 0.4647
Echinococcus multilocularis prefoldin subunit 6 0.0061 0.0499 0.0391
Loa Loa (eye worm) MH2 domain-containing protein 0.012 0.1331 0.1331
Toxoplasma gondii histone deacetylase HDAC2 0.0359 0.4707 1
Trichomonas vaginalis penicillin-binding protein, putative 0.0077 0.0719 0.0613
Trypanosoma brucei Polypeptide deformylase 1 0.009 0.0912 0.0912
Entamoeba histolytica hypothetical protein 0.0036 0.0146 0.0034
Loa Loa (eye worm) hypothetical protein 0.0077 0.0719 0.0719
Trichomonas vaginalis chromatin regulatory protein sir2, putative 0.0734 1 1
Mycobacterium ulcerans fusion of enoyl-CoA hydratase, EchA21 and lipase, LipE 0.0077 0.0719 0.2114
Trichomonas vaginalis chromatin regulatory protein sir2, putative 0.0151 0.1771 0.1677
Trichomonas vaginalis chromatin regulatory protein sir2, putative 0.0484 0.6475 0.6435
Plasmodium vivax peptide deformylase, putative 0.0237 0.2981 0.6334
Echinococcus granulosus histone deacetylase 6 0.0214 0.2661 0.2578
Echinococcus multilocularis thyrotropin releasing hormone receptor 0.047 0.6278 0.6236
Schistosoma mansoni hypothetical protein 0.0036 0.0146 0.0135
Leishmania major aminopeptidase-like protein,metallo-peptidase, Clan MA(E), Family M1 0.0034 0.0112 0.0112
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0047 0.0298 0.0187
Echinococcus granulosus Glutamate receptor ionotropic kainate 2 0.005 0.0344 0.0234
Trichomonas vaginalis chromatin regulatory protein sir2, putative 0.0484 0.6475 0.6435
Onchocerca volvulus 0.0035 0.0125 0.0096
Echinococcus multilocularis NAD dependent deacetylase sirtuin 7 0.0151 0.1771 0.1677
Trichomonas vaginalis chromatin regulatory protein sir2, putative 0.0151 0.1771 0.1677
Schistosoma mansoni inhibitor of apoptosis protein 0.0053 0.0388 0.0378
Trypanosoma cruzi hypothetical protein, conserved 0.0077 0.0719 0.0719
Loa Loa (eye worm) cytochrome P450 family protein 0.0027 0.0014 0.0014
Echinococcus multilocularis histone deacetylase 3 0.0359 0.4707 0.4647
Trypanosoma cruzi hypothetical protein, conserved 0.0077 0.0719 0.0719
Brugia malayi beta-lactamase family protein 0.0077 0.0719 0.0719
Loa Loa (eye worm) transcriptional regulator 0.0151 0.1771 0.1771
Onchocerca volvulus 0.0077 0.0719 0.4525
Echinococcus multilocularis Basic leucine zipper (bZIP) transcription 0.0036 0.0146 0.0034
Loa Loa (eye worm) hypothetical protein 0.0077 0.0719 0.0719
Loa Loa (eye worm) TK/ROR protein kinase 0.0035 0.0125 0.0125
Echinococcus granulosus histone deacetylase 6 0.0214 0.2661 0.2578
Trypanosoma brucei Aminopeptidase M1, putative 0.0034 0.0112 0.0112
Leishmania major hypothetical protein, conserved 0.0077 0.0719 0.0719
Schistosoma mansoni family S12 unassigned peptidase (S12 family) 0.0077 0.0719 0.0709
Echinococcus multilocularis nmda type glutamate receptor 0.0091 0.0924 0.082
Trypanosoma brucei hypothetical protein, conserved 0.0077 0.0719 0.0719
Schistosoma mansoni chromatin regulatory protein sir2 0.0734 1 1
Loa Loa (eye worm) transcriptional regulator 0.0151 0.1771 0.1771
Schistosoma mansoni histone deacetylase hda2 0.0214 0.2661 0.2654
Mycobacterium ulcerans NAD-dependent deacetylase 0.0151 0.1771 0.5781
Brugia malayi histone deacetylase 11 0.0129 0.1453 0.1453
Brugia malayi transcriptional regulator, Sir2 family protein 0.0151 0.1771 0.1771
Echinococcus granulosus NAD dependent deacetylase sirtuin 6 0.0151 0.1771 0.1677
Brugia malayi Glutamate receptor 2 precursor 0.0039 0.0187 0.0187
Echinococcus granulosus chromatin regulatory protein sir2 0.0734 1 1
Echinococcus granulosus histone deacetylase 8 0.0129 0.1453 0.1356
Loa Loa (eye worm) hypothetical protein 0.0077 0.0719 0.0719
Trichomonas vaginalis histone deacetylase 1, 2 ,3, putative 0.0359 0.4707 0.4647
Schistosoma mansoni glutamate receptor AMPA 0.0039 0.0187 0.0176
Echinococcus granulosus inhibitor of apoptosis protein 0.0053 0.0388 0.0279
Brugia malayi beta-lactamase family protein 0.0077 0.0719 0.0719
Trichomonas vaginalis chromatin regulatory protein sir2, putative 0.0484 0.6475 0.6435
Entamoeba histolytica prefoldin subunit 6, putative 0.0061 0.0499 0.0391
Trichomonas vaginalis histone deacetylase, putative 0.0359 0.4707 0.4647
Schistosoma mansoni histone deacetylase 4 5 0.0214 0.2661 0.2654
Echinococcus granulosus thyrotropin releasing hormone receptor 0.047 0.6278 0.6236
Trypanosoma cruzi Silent information regulator 2 related protein 1 0.0734 1 1
Trypanosoma cruzi metallo-peptidase, clan MA(E), family M1, putative 0.0034 0.0112 0.0112
Loa Loa (eye worm) hypothetical protein 0.0104 0.1101 0.1101
Plasmodium falciparum histone deacetylase 2 0.0214 0.2661 0.5654
Trypanosoma brucei metallo-peptidase, Clan MA(E) Family M1 0.0034 0.0112 0.0112
Onchocerca volvulus 0.0053 0.0388 0.2059
Echinococcus granulosus tissue type plasminogen activator 0.0035 0.0125 0.0013
Echinococcus multilocularis histone deacetylase 1 0.0359 0.4707 0.4647
Echinococcus multilocularis glutamate receptor 2 0.0036 0.0139 0.0027
Brugia malayi metabotropic glutamate receptor type 2 0.0027 0.0011 0.0011
Schistosoma mansoni subfamily S1A unassigned peptidase (S01 family) 0.0104 0.1101 0.1091
Trypanosoma cruzi histone deacetylase, putative 0.0214 0.2661 0.2661
Echinococcus multilocularis glutamate receptor 2 0.005 0.0344 0.0234
Trypanosoma brucei histone deacetylase, putative 0.0214 0.2661 0.2661
Brugia malayi hypothetical protein 0.0034 0.0112 0.0112
Loa Loa (eye worm) beta-lactamase 0.0077 0.0719 0.0719
Schistosoma mansoni chromatin regulatory protein sir2 0.0734 1 1
Giardia lamblia Sirtuin type 2 0.0151 0.1771 0.1338
Trypanosoma brucei Silent information regulator 2 related protein 3 0.0151 0.1771 0.1771
Trypanosoma brucei Aminopeptidase M1, putative 0.0034 0.0112 0.0112
Schistosoma mansoni chromatin regulatory protein sir2 0.0151 0.1771 0.1762
Echinococcus multilocularis Glutamate receptor, ionotropic kainate 2 0.005 0.0344 0.0234
Entamoeba histolytica Sir2 family transcriptional regulator, putative 0.0734 1 1
Toxoplasma gondii PAN domain-containing protein 0.0297 0.3827 0.8131
Toxoplasma gondii hypothetical protein 0.0237 0.2981 0.6334
Treponema pallidum polypeptide deformylase (def) 0.0237 0.2981 0.5
Trichomonas vaginalis chromatin regulatory protein sir2, putative 0.0734 1 1
Loa Loa (eye worm) histone deacetylase 0.0214 0.2661 0.2661
Echinococcus granulosus histone deacetylase 6 0.0214 0.2661 0.2578
Leishmania major NAD dependent deacetylase, putative,transcriptional regulator, Sir2 family protein, nicotinic acid mononucleotide 5,6-dimethylbe 0.0151 0.1771 0.1771
Loa Loa (eye worm) histone deacetylase 11 0.0129 0.1453 0.1453
Echinococcus granulosus glutamate NMDA receptor subunit 0.0093 0.0946 0.0843
Echinococcus multilocularis glutamate receptor 2 0.0039 0.0187 0.0075
Brugia malayi Kringle domain containing protein 0.0035 0.0125 0.0125
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0047 0.0298 0.0187
Plasmodium falciparum histone deacetylase, putative 0.0214 0.2661 0.5654
Schistosoma mansoni hypothetical protein 0.0053 0.0388 0.0378
Schistosoma mansoni thyrotropin-releasing hormone receptor 0.047 0.6278 0.6274
Schistosoma mansoni histone deacetylase 0.0359 0.4707 0.4701
Schistosoma mansoni glutamate receptor kainate 0.0039 0.0187 0.0176
Trichomonas vaginalis esterase, putative 0.0077 0.0719 0.0613
Mycobacterium ulcerans Sir2-like regulatory protein 0.0151 0.1771 0.5781
Echinococcus multilocularis Glutamate receptor, ionotropic kainate 2 0.005 0.0344 0.0234
Brugia malayi GTP-binding regulatory protein Gs alpha-S chain, putative 0.0047 0.0298 0.0298
Trichomonas vaginalis chromatin regulatory protein sir2, putative 0.0484 0.6475 0.6435
Brugia malayi histone deacetylase 1 (HD1) 0.0359 0.4707 0.4707
Toxoplasma gondii histone deacetylase HDAC5 0.0129 0.1453 0.3087
Mycobacterium ulcerans beta-lactamase 0.0077 0.0719 0.2114
Leishmania major histone deacetylase, putative 0.0359 0.4707 0.4707
Mycobacterium ulcerans lipase LipD 0.0077 0.0719 0.2114
Toxoplasma gondii histone deacetylase HDAC3 0.0359 0.4707 1
Brugia malayi transcriptional regulator, Sir2 family protein 0.0151 0.1771 0.1771
Mycobacterium leprae PROBABLE POLYPEPTIDE DEFORMYLASE DEF (PDF) (FORMYLMETHIONINE DEFORMYLASE) 0.0237 0.2981 1
Mycobacterium ulcerans esterase/lipase LipP 0.0077 0.0719 0.2114
Echinococcus granulosus Glutamate receptor ionotropic kainate 2 0.005 0.0344 0.0234
Plasmodium falciparum prefoldin subunit 6, putative 0.0061 0.0499 0.1061
Echinococcus multilocularis beta LACTamase domain containing family member 0.0077 0.0719 0.0613
Trypanosoma cruzi Silent information regulator 2 related protein 3 0.0151 0.1771 0.1771
Loa Loa (eye worm) transcriptional regulator 0.0734 1 1
Loa Loa (eye worm) hypothetical protein 0.0035 0.0125 0.0125
Trichomonas vaginalis conserved hypothetical protein 0.0061 0.0499 0.0391
Leishmania major silent information regulator 2, putative 0.0734 1 1
Echinococcus multilocularis NAD dependent deacetylase sirtuin 1 0.0484 0.6475 0.6435
Toxoplasma gondii histone deacetylase HDAC1 0.0214 0.2661 0.5654
Onchocerca volvulus 0.0077 0.0719 0.4525
Echinococcus granulosus nmda type glutamate receptor 0.0091 0.0924 0.082
Echinococcus granulosus NAD dependent deacetylase sirtuin 1 0.0484 0.6475 0.6435
Leishmania major histone deacetylase, putative 0.0359 0.4707 0.4707
Schistosoma mansoni histone deacetylase 0.0359 0.4707 0.4701
Brugia malayi NAD-dependent deacetylase SIRT1 0.0484 0.6475 0.6475
Trypanosoma brucei histone deacetylase 3 0.0214 0.2661 0.2661
Loa Loa (eye worm) GTP-binding regulatory protein Gs alpha-S chain 0.0047 0.0298 0.0298
Schistosoma mansoni glutamate receptor NMDA 0.0127 0.1428 0.1419
Schistosoma mansoni glutamate receptor kainate 0.0039 0.0187 0.0176
Trypanosoma brucei prefoldin subunit, putative 0.0061 0.0499 0.0499
Loa Loa (eye worm) hypothetical protein 0.0086 0.0843 0.0843
Echinococcus multilocularis histone deacetylase 0.0214 0.2661 0.2578

Activities

Activity type Activity value Assay description Source Reference
Activity (functional) 0 Necrotic effect in human IPC cells at 12.5 ug/mL after 3 hrs ChEMBL. 17166717
IC50 (functional) = 6.7 uM Cytotoxicity against human SH-SY5Y cells after 24 hrs ChEMBL. 17166717
IC50 (functional) = 6.7 uM Cytotoxicity against human SH-SY5Y cells after 24 hrs ChEMBL. 17166717
Inhibition (functional) = 38.48 % Antiproliferative activity against human SH-SY5Y cells at 1.56 ug/mL after 24 hrs ChEMBL. 17166717
Inhibition (functional) = 38.48 % Antiproliferative activity against human SH-SY5Y cells at 1.56 ug/mL after 24 hrs ChEMBL. 17166717
Inhibition (functional) = 87.46 % Antiproliferative activity against human SH-SY5Y cells at 3.13 ug/mL after 24 hrs ChEMBL. 17166717
Inhibition (functional) = 87.46 % Antiproliferative activity against human SH-SY5Y cells at 3.13 ug/mL after 24 hrs ChEMBL. 17166717
Inhibition (functional) = 93.79 % Antiproliferative activity against human SH-SY5Y cells at 6.25 ug/mL after 24 hrs ChEMBL. 17166717
Inhibition (functional) = 93.79 % Antiproliferative activity against human SH-SY5Y cells at 6.25 ug/mL after 24 hrs ChEMBL. 17166717
Inhibition (functional) = 94 % Antiproliferative activity against human SH-SY5Y cells at 12.5 ug/mL after 24 hrs ChEMBL. 17166717
Inhibition (functional) = 94 % Antiproliferative activity against human SH-SY5Y cells at 12.5 ug/mL after 24 hrs ChEMBL. 17166717
Inhibition (functional) = 95.71 % Antiproliferative activity against human SH-SY5Y cells at 50 ug/mL after 24 hrs ChEMBL. 17166717
Inhibition (functional) = 95.71 % Antiproliferative activity against human SH-SY5Y cells at 50 ug/mL after 24 hrs ChEMBL. 17166717
Inhibition (functional) = 96.64 % Antiproliferative activity against human SH-SY5Y cells at 25 ug/mL after 24 hrs ChEMBL. 17166717
Inhibition (functional) = 96.64 % Antiproliferative activity against human SH-SY5Y cells at 25 ug/mL after 24 hrs ChEMBL. 17166717

Phenotypes

Whole-cell/tissue/organism interactions

Species name Source Reference Is orphan
Homo sapiens ChEMBL23 17166717

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

Annotated phenotypes:

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

Bibliographic References

1 literature reference was collected for this gene.

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