Detailed information for compound 1286231

Basic information

Technical information
  • TDR Targets ID: 1286231
  • Name: 6-(2,5-dimethoxyphenyl)-6,8,10-triazaspiro[4. 5]deca-7,9-diene-7,9-diamine hydrochloride
  • MW: 339.82 | Formula: C15H22ClN5O2
  • H donors: 2 H acceptors: 0 LogP: 1.58 Rotable bonds: 3
    Rule of 5 violations (Lipinski): 1
  • SMILES: COc1ccc(cc1N1C(=NC(=NC21CCCC2)N)N)OC.Cl
  • InChi: 1S/C15H21N5O2.ClH/c1-21-10-5-6-12(22-2)11(9-10)20-14(17)18-13(16)19-15(20)7-3-4-8-15;/h5-6,9H,3-4,7-8H2,1-2H3,(H4,16,17,18,19);1H
  • InChiKey: MHEQVMUKAQIALL-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

  • [9-amino-6-(2,5-dimethoxyphenyl)-6,8,10-triazaspiro[4.5]deca-7,9-dien-7-yl]amine hydrochloride
  • MLS000047857
  • SMR000033858
  • 10-(2,5-dimethoxyphenyl)-6,8,10-triazaspiro[4.5]deca-6,8-diene-7,9-diamine

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Human immunodeficiency virus 1 Aberrant vpr protein Starlite/ChEMBL No references

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 brca1-associated protein (brap2) 0.0046 0.014 0.0197
Leishmania major cytochrome p450-like protein 0.0028 0.0032 0.0038
Loa Loa (eye worm) hypothetical protein 0.0045 0.0134 0.0102
Leishmania major histone deacetylase, putative 0.0789 0.4579 0.6442
Trichomonas vaginalis chromodomain helicase DNA binding protein, putative 0.0045 0.0134 0.0073
Plasmodium vivax U4/U6.U5 tri-snRNP-associated protein 2, putative 0.0046 0.014 0.0135
Trichomonas vaginalis histone deacetylase, putative 0.1212 0.7105 1
Echinococcus multilocularis ubiquitin carboxyl terminal hydrolase 22 0.0046 0.014 0.0197
Schistosoma mansoni ubiquitously transcribed sex (X/Y) chromosome tetratricopeptide repeat protein-related 0.0028 0.0032 0.0046
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.0866 0.5037 0.7054
Trichomonas vaginalis chromodomain-helicase-DNA-binding protein, putative 0.0045 0.0134 0.0073
Loa Loa (eye worm) jmjC domain-containing protein 0.0108 0.051 0.0479
Loa Loa (eye worm) transcription factor SMAD2 0.0237 0.1277 0.1249
Echinococcus multilocularis Jumonji, AT rich interactive domain 1B 0.003 0.0044 0.0062
Trypanosoma cruzi histone deacetylase, putative 0.0789 0.4579 0.6428
Brugia malayi Bromodomain containing protein 0.0039 0.0096 0.0081
Schistosoma mansoni bromodomain containing protein 0.0064 0.0247 0.0348
Echinococcus multilocularis lysine specific demethylase 5A 0.0106 0.0498 0.0701
Trichomonas vaginalis chromobox protein, putative 0.0167 0.0862 0.1109
Schistosoma mansoni brca1-associated protein (brap2) 0.0046 0.014 0.0197
Echinococcus granulosus Basic leucine zipper bZIP transcription 0.0071 0.0289 0.0407
Schistosoma mansoni chromodomain helicase DNA binding protein 0.0047 0.0146 0.0205
Loa Loa (eye worm) hypothetical protein 0.1119 0.6548 0.6537
Echinococcus multilocularis histone deacetylase 6 0.0789 0.4579 0.6444
Onchocerca volvulus Histone deacetylase 10 homolog 0.0578 0.3315 1
Schistosoma mansoni hypothetical protein 0.0071 0.0289 0.0407
Schistosoma mansoni chromobox protein-related (chromobox 1) (heterochromatin 1) 0.0045 0.0134 0.0189
Brugia malayi Cytochrome P450 family protein 0.0028 0.0032 0.0018
Entamoeba histolytica hypothetical protein 0.0071 0.0289 0.04
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0045 0.0131 0.0184
Toxoplasma gondii PHD-finger domain-containing protein 0.0088 0.0388 0.0383
Loa Loa (eye worm) heterochromatin protein 1 0.0277 0.1519 0.1492
Trichomonas vaginalis chromodomain helicase DNA binding protein, putative 0.0045 0.0134 0.0073
Echinococcus multilocularis bromodomain adjacent to zinc finger domain 0.0061 0.0226 0.0318
Plasmodium vivax hypothetical protein, conserved 0.0088 0.0388 0.0383
Echinococcus multilocularis L aminoadipate semialdehyde 0.0085 0.0368 0.0518
Plasmodium falciparum ubiquitin carboxyl-terminal hydrolase, putative 0.0046 0.014 0.019
Trypanosoma brucei Ring finger domain/Zn-finger in ubiquitin-hydrolases and other protein, putative 0.0046 0.014 0.019
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.0866 0.5037 0.7054
Echinococcus granulosus phd:f box containing protein 0.0028 0.0032 0.0046
Trypanosoma brucei histone deacetylase 4 0.0789 0.4579 0.6442
Plasmodium vivax hypothetical protein, conserved 0.0046 0.014 0.0135
Loa Loa (eye worm) GTP-binding regulatory protein Gs alpha-S chain 0.0045 0.0131 0.0099
Trichomonas vaginalis chromobox protein, putative 0.0045 0.0134 0.0073
Trichomonas vaginalis conserved hypothetical protein 0.0045 0.0134 0.0073
Brugia malayi Ubiquitin carboxyl-terminal hydrolase family protein 0.0046 0.014 0.0126
Trichomonas vaginalis chromodomain helicase DNA binding protein, putative 0.0045 0.0134 0.0073
Echinococcus granulosus PHD finger protein rhinoceros 0.0088 0.0388 0.0546
Trypanosoma brucei histone deacetylase, putative 0.0789 0.4579 0.6442
Brugia malayi histone deacetylase 3 (HD3) 0.1212 0.7105 0.7101
Echinococcus multilocularis bromodomain adjacent to zinc finger domain 0.0037 0.0081 0.0114
Loa Loa (eye worm) hypothetical protein 0.0034 0.0067 0.0036
Trypanosoma cruzi histone deacetylase 1, putative 0.1212 0.7105 1
Brugia malayi jmjC domain containing protein 0.0028 0.0032 0.0018
Brugia malayi Histone deacetylase family protein 0.0789 0.4579 0.4571
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0045 0.0131 0.0184
Echinococcus granulosus chromobox protein 1 0.0277 0.1519 0.2138
Schistosoma mansoni histone-lysine n-methyltransferase suv9 0.0045 0.0134 0.0189
Trichomonas vaginalis chromodomain helicase DNA binding protein, putative 0.0045 0.0134 0.0073
Echinococcus granulosus ubiquitin carboxyl terminal hydrolase 22 0.0046 0.014 0.0197
Plasmodium falciparum histone deacetylase 2 0.0789 0.4579 0.6442
Brugia malayi Histone deacetylase family protein 0.0789 0.4579 0.4571
Loa Loa (eye worm) BRCA1-associated protein 2 containing protein 0.0046 0.014 0.0108
Entamoeba histolytica fructose-1,6-bisphosphate aldolase, putative 0.0866 0.5037 0.7086
Echinococcus multilocularis chromobox protein 2 0.0045 0.0134 0.0189
Echinococcus multilocularis lysine specific demethylase 6a 0.0028 0.0032 0.0046
Loa Loa (eye worm) voltage and ligand gated potassium channel 0.0039 0.0099 0.0067
Brugia malayi Heterochromatin protein 1 0.0277 0.1519 0.1507
Echinococcus multilocularis Chromobox protein 3 0.0045 0.0134 0.0189
Trypanosoma brucei histone deacetylase 3 0.0789 0.4579 0.6442
Schistosoma mansoni histone deacetylase 0.1212 0.7105 1
Schistosoma mansoni phosphatidylserine receptor 0.0028 0.0032 0.0046
Schistosoma mansoni jumonji domain containing protein 0.0028 0.0032 0.0046
Schistosoma mansoni aminoadipate-semialdehyde dehydrogenase 0.0085 0.0368 0.0518
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.0866 0.5037 0.7054
Schistosoma mansoni ubiquitin-specific peptidase 5 (C19 family) 0.0046 0.014 0.0197
Trypanosoma brucei histone deacetylase 1 0.1212 0.7105 1
Loa Loa (eye worm) CHromoDomain protein family member 0.0047 0.0146 0.0114
Schistosoma mansoni hypothetical protein 0.0088 0.0388 0.0546
Giardia lamblia Fructose-bisphosphate aldolase 0.0866 0.5037 0.703
Echinococcus granulosus chromobox protein 2 0.0045 0.0134 0.0189
Onchocerca volvulus Alhambra homolog 0.0088 0.0388 0.0797
Echinococcus granulosus JmjC domain containing protein 4 0.0028 0.0032 0.0046
Echinococcus granulosus u4:u6.u5 tri snrnp associated protein 2 0.0046 0.014 0.0197
Schistosoma mansoni chromobox protein 0.0045 0.0134 0.0189
Toxoplasma gondii WD domain, G-beta repeat-containing protein 0.0029 0.0035 0.0029
Brugia malayi PHD-finger family protein 0.0088 0.0388 0.0374
Echinococcus multilocularis histone deacetylase 6 0.0789 0.4579 0.6444
Echinococcus granulosus bromodomain adjacent to zinc finger domain 0.0061 0.0226 0.0318
Loa Loa (eye worm) histone deacetylase 3 0.1212 0.7105 0.7096
Trichomonas vaginalis histone deacetylase 1, 2 ,3, putative 0.1212 0.7105 1
Echinococcus multilocularis Basic leucine zipper (bZIP) transcription 0.0071 0.0289 0.0407
Echinococcus multilocularis histone deacetylase 6 0.0836 0.4856 0.6834
Schistosoma mansoni chromobox protein-related (chromobox 1) (heterochromatin 1) 0.0045 0.0134 0.0189
Trypanosoma brucei PHD-zinc-finger like domain containing protein, putative 0.0029 0.0035 0.0041
Brugia malayi jmjC domain containing protein 0.0288 0.1581 0.1569
Brugia malayi Voltage-gated potassium channel, HERG (KCNH2)-related. C. elegans unc-103 ortholog 0.0039 0.0099 0.0084
Echinococcus granulosus L aminoadipate semialdehyde 0.0085 0.0368 0.0518
Trypanosoma cruzi histone deacetylase, putative 0.0578 0.3315 0.4642
Trichomonas vaginalis conserved hypothetical protein 0.011 0.052 0.0623
Loa Loa (eye worm) hypothetical protein 0.0578 0.3315 0.3294
Trypanosoma brucei histone deacetylase 2 0.0578 0.3315 0.4662
Trypanosoma cruzi histone deacetylase, putative 0.0789 0.4579 0.6428
Echinococcus multilocularis JmjC domain containing protein 4 0.0028 0.0032 0.0046
Plasmodium vivax histone deacetylase 2, putative 0.0789 0.4579 0.4576
Plasmodium falciparum histone deacetylase 1 0.1212 0.7105 1
Toxoplasma gondii histone deacetylase HDAC2 0.1212 0.7105 0.7104
Leishmania major ubiquitin hydrolase, putative,cysteine peptidase, Clan CA, family C19, putative 0.0046 0.014 0.019
Loa Loa (eye worm) ubiquitin specific peptidase 39 0.0046 0.014 0.0108
Brugia malayi aminoadipate-semialdehyde dehydrogenase-phosphopantetheinyl transferase 0.0085 0.0368 0.0354
Brugia malayi Histone deacetylase 1 0.1212 0.7105 0.7101
Toxoplasma gondii Zn-finger in ubiquitin-hydrolases domain-containing protein 0.0046 0.014 0.0135
Wolbachia endosymbiont of Brugia malayi 4'-phosphopantetheinyl transferase 0.0024 0.0005 0.5
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0045 0.0131 0.0184
Leishmania major hypothetical protein, conserved 0.0028 0.0032 0.0038
Loa Loa (eye worm) hypothetical protein 0.0085 0.0368 0.0337
Loa Loa (eye worm) hypothetical protein 0.0155 0.0791 0.0762
Brugia malayi F/Y-rich N-terminus family protein 0.0031 0.0046 0.0032
Schistosoma mansoni family C19 non-peptidase homologue (C19 family) 0.0046 0.014 0.0197
Trichomonas vaginalis conserved hypothetical protein 0.0045 0.0134 0.0073
Echinococcus multilocularis chromodomain helicase DNA binding protein 1 0.0045 0.0134 0.0189
Echinococcus multilocularis histone deacetylase 0.0789 0.4579 0.6444
Loa Loa (eye worm) PHD-finger family protein 0.0088 0.0388 0.0357
Brugia malayi hypothetical protein 0.0071 0.0289 0.0275
Echinococcus multilocularis peregrin 0.009 0.0402 0.0566
Onchocerca volvulus Heterochromatin protein 1 homolog 0.0167 0.0862 0.2287
Entamoeba histolytica hypothetical protein 0.0045 0.0134 0.0182
Schistosoma mansoni ubiquitin-specific peptidase 44 (C19 family) 0.0046 0.014 0.0197
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0045 0.0131 0.0184
Schistosoma mansoni bromodomain-containing nuclear protein 1 brd1 0.0088 0.0388 0.0546
Brugia malayi Valyl-tRNA synthetase 0.0045 0.0134 0.012
Trichomonas vaginalis histone deacetylase, putative 0.1212 0.7105 1
Plasmodium vivax histone deacetylase, putative 0.0789 0.4579 0.4576
Trichomonas vaginalis histone deacetylase 1, 2 ,3, putative 0.1212 0.7105 1
Brugia malayi Bromodomain containing protein 0.0076 0.0319 0.0305
Mycobacterium tuberculosis Probable fructose-bisphosphate aldolase Fba 0.0423 0.239 1
Onchocerca volvulus Uncharacterized RING finger protein homolog 0.0046 0.014 0.0018
Trichomonas vaginalis chromodomain helicase DNA binding protein, putative 0.0045 0.0134 0.0073
Echinococcus granulosus histone deacetylase 6 0.0789 0.4579 0.6444
Trichomonas vaginalis Clan CA, family C19, ubiquitin hydrolase-like cysteine peptidase 0.0046 0.014 0.0081
Leishmania major histone deacetylase, putative 0.1212 0.7105 1
Trichomonas vaginalis chromobox protein, putative 0.0277 0.1519 0.2045
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.0866 0.5037 0.7054
Trypanosoma cruzi Ring finger domain/Zn-finger in ubiquitin-hydrolases and other protein, putative 0.0046 0.014 0.0153
Treponema pallidum fructose-bisphosphate aldolase 0.0866 0.5037 1
Plasmodium falciparum conserved Plasmodium membrane protein, unknown function 0.0029 0.0035 0.0041
Trichomonas vaginalis BRCA1-associated protein, putative 0.0046 0.014 0.0081
Echinococcus granulosus jumonji domain containing 1A 0.0028 0.0032 0.0046
Loa Loa (eye worm) hypothetical protein 0.0045 0.0134 0.0102
Schistosoma mansoni histone deacetylase 4 5 0.0789 0.4579 0.6444
Entamoeba histolytica ubiquitin carboxyl-terminal hydrolase 5, putative 0.0046 0.014 0.019
Plasmodium vivax ubiquitin carboxyl-terminal hydrolase 13, putative 0.0046 0.014 0.0135
Trypanosoma brucei JmjC domain, hydroxylase, putative 0.0028 0.0032 0.0038
Trichomonas vaginalis chromobox protein, putative 0.0167 0.0862 0.1109
Entamoeba histolytica fructose-1,6-bisphosphate aldolase, putative 0.0866 0.5037 0.7086
Loa Loa (eye worm) hypothetical protein 0.0031 0.0046 0.0014
Schistosoma mansoni voltage-gated potassium channel 0.0043 0.012 0.0169
Plasmodium falciparum chromodomain-helicase-DNA-binding protein 1 homolog, putative 0.0045 0.0134 0.0182
Brugia malayi jmjC domain containing protein 0.0028 0.0032 0.0018
Schistosoma mansoni histone deacetylase 1 2 3 0.0578 0.3315 0.4666
Toxoplasma gondii ubiquitin specific protease 39 isoform 2, putative 0.0046 0.014 0.0135
Trypanosoma cruzi Zn-finger in ubiquitin-hydrolases and other protein, putative 0.0046 0.014 0.0153
Brugia malayi Cytochrome P450 family protein 0.0028 0.0032 0.0018
Schistosoma mansoni histone deacetylase 4 5 0.0789 0.4579 0.6444
Entamoeba histolytica Sir2 family transcriptional regulator, putative 0.0046 0.014 0.019
Loa Loa (eye worm) MH2 domain-containing protein 0.0237 0.1277 0.1249
Echinococcus granulosus histone deacetylase 0.0789 0.4579 0.6444
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0045 0.0131 0.0184
Trichomonas vaginalis conserved hypothetical protein 0.0155 0.0791 0.1008
Schistosoma mansoni jumonji/arid domain-containing protein 0.0108 0.051 0.0717
Toxoplasma gondii 'chromo' (CHRromatin Organization MOdifier) domain-containing protein 0.0045 0.0134 0.0129
Chlamydia trachomatis holo [acyl-carrier protein] synthase 0.0024 0.0005 0.5
Echinococcus multilocularis Transcription factor, JmjC domain containing protein 0.0288 0.1581 0.2225
Entamoeba histolytica ubiquitin carboxyl-terminal hydrolase domain containing protein 0.0046 0.014 0.019
Brugia malayi histone deacetylase 1 (HD1) 0.1212 0.7105 0.7101
Schistosoma mansoni hypothetical protein 0.0045 0.0134 0.0189
Trichomonas vaginalis histone deacetylase, putative 0.1212 0.7105 1
Loa Loa (eye worm) hypothetical protein 0.0043 0.0122 0.009
Echinococcus granulosus Jumonji AT rich interactive domain 1B 0.003 0.0044 0.0062
Echinococcus multilocularis u4:u6.u5 tri snrnp associated protein 2 0.0046 0.014 0.0197
Entamoeba histolytica chromodomain-helicase-DNA-binding protein, putative 0.0045 0.0134 0.0182
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.0866 0.5037 0.7054
Plasmodium falciparum conserved Plasmodium protein, unknown function 0.0045 0.0134 0.0182
Trichomonas vaginalis Clan CA, family C19, ubiquitin hydrolase-like cysteine peptidase 0.0046 0.014 0.0081
Trichomonas vaginalis chromodomain helicase DNA binding protein, putative 0.0045 0.0134 0.0073
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.0866 0.5037 0.7054
Onchocerca volvulus 0.0085 0.0368 0.0736
Plasmodium falciparum ubiquitin carboxyl-terminal hydrolase 13, putative 0.0046 0.014 0.019
Brugia malayi BRCA1-associated protein 2 containing protein 0.0046 0.014 0.0126
Schistosoma mansoni voltage-gated potassium channel 0.0043 0.012 0.0169
Plasmodium falciparum U4/U6.U5 tri-snRNP-associated protein 2, putative 0.0046 0.014 0.019
Plasmodium falciparum JmjC domain-containing protein, putative 0.0028 0.0032 0.0038
Trichomonas vaginalis chromobox protein, putative 0.0277 0.1519 0.2045
Entamoeba histolytica hypothetical protein 0.0071 0.0289 0.04
Mycobacterium leprae Probable fructose bisphosphate aldolase Fba 0.0423 0.239 1
Brugia malayi PHD-finger family protein 0.0031 0.0046 0.0032
Brugia malayi jmjC domain containing protein 0.0028 0.0032 0.0018
Echinococcus granulosus jumonji domain containing protein 0.0122 0.0593 0.0835
Plasmodium vivax hypothetical protein, conserved 0.0045 0.0134 0.0129
Trichomonas vaginalis hypothetical protein 0.0045 0.0134 0.0073
Trichomonas vaginalis chromodomain helicase DNA binding protein, putative 0.0045 0.0134 0.0073
Toxoplasma gondii 'chromo' (CHRromatin Organization MOdifier) domain-containing protein 0.0045 0.0134 0.0129
Echinococcus granulosus chromodomain helicase DNA binding protein 4 0.0047 0.0146 0.0205
Loa Loa (eye worm) hypothetical protein 0.0045 0.0134 0.0102
Trypanosoma brucei PHD-zinc-finger like domain containing protein, putative 0.0029 0.0035 0.0041
Brugia malayi M-phase phosphoprotein, mpp8 0.0045 0.0134 0.012
Trypanosoma cruzi JmjC domain, hydroxylase, putative 0.0028 0.0032 0.0001
Loa Loa (eye worm) hypothetical protein 0.0039 0.0096 0.0064
Loa Loa (eye worm) histone deacetylase 1 0.1212 0.7105 0.7096
Trypanosoma brucei ubiquitin carboxyl-terminal hydrolase, putative 0.0046 0.014 0.019
Entamoeba histolytica hypothetical protein 0.0071 0.0289 0.04
Echinococcus multilocularis chromodomain helicase DNA binding protein 4 0.0047 0.0146 0.0205
Brugia malayi Protein cec-1. 0.0045 0.0134 0.012
Brugia malayi jmjC domain containing protein 0.0028 0.0032 0.0018
Trichomonas vaginalis chromodomain-helicase-DNA-binding protein, putative 0.0045 0.0134 0.0073
Brugia malayi Associated with TFs and helicases family protein 0.0045 0.0134 0.012
Schistosoma mansoni jumonji/arid domain-containing protein 0.0108 0.051 0.0717
Trypanosoma brucei ubiquitin carboxyl-terminal hydrolase, putative 0.0046 0.014 0.019
Toxoplasma gondii histone lysine demethylase JMJC1/KDM5D/JARID1D 0.0028 0.0032 0.0027
Entamoeba histolytica chromodomain-helicase-DNA-binding protein, putative 0.0045 0.0134 0.0182
Plasmodium vivax heterochromatin protein 1, putative 0.0045 0.0134 0.0129
Schistosoma mansoni hypothetical protein 0.0338 0.1883 0.265
Loa Loa (eye worm) ubiquitin carboxyl-terminal hydrolase 0.0046 0.014 0.0108
Schistosoma mansoni protein phosphatase 2C 0.0028 0.0032 0.0046
Echinococcus multilocularis phd:f box containing protein 0.0028 0.0032 0.0046
Echinococcus multilocularis BRCA1 associated protein 0.0046 0.014 0.0197
Schistosoma mansoni mixed-lineage leukemia protein mll 0.0029 0.0035 0.0049
Echinococcus multilocularis histone deacetylase 7 0.0789 0.4579 0.6444
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0045 0.0131 0.0184
Echinococcus granulosus Transcription factor JmjC domain containing protein 0.0288 0.1581 0.2225
Echinococcus granulosus chromodomain helicase DNA binding protein 1 0.0045 0.0134 0.0189
Trichomonas vaginalis conserved hypothetical protein 0.0045 0.0134 0.0073
Trichomonas vaginalis histone deacetylase 1, 2 ,3, putative 0.1212 0.7105 1
Brugia malayi Cytochrome P450 family protein 0.006 0.022 0.0206
Trichomonas vaginalis conserved hypothetical protein 0.0045 0.0134 0.0073
Schistosoma mansoni histone deacetylase 0.1212 0.7105 1
Loa Loa (eye worm) histone deacetylase 0.0789 0.4579 0.4561
Toxoplasma gondii UBA/TS-N domain-containing protein 0.0046 0.014 0.0135
Echinococcus granulosus histone deacetylase 3 0.1212 0.7105 1
Trichomonas vaginalis histone deacetylase, putative 0.1212 0.7105 1
Plasmodium vivax JmjC domain containing protein 0.0028 0.0032 0.0027
Schistosoma mansoni phd/f-box containing protein 0.0028 0.0032 0.0046
Trichomonas vaginalis chromodomain helicase DNA binding protein, putative 0.0045 0.0134 0.0073
Trichomonas vaginalis Heterochromatin protein, putative 0.0045 0.0134 0.0073
Trypanosoma brucei Zn-finger in ubiquitin-hydrolases and other protein, putative 0.0046 0.014 0.019
Trichomonas vaginalis conserved hypothetical protein 0.0045 0.0134 0.0073
Plasmodium vivax hypothetical protein, conserved 0.0029 0.0035 0.0029
Echinococcus multilocularis jumonji domain containing 1A 0.0028 0.0032 0.0046
Onchocerca volvulus 0.0122 0.0591 0.1435
Entamoeba histolytica hypothetical protein 0.0045 0.0134 0.0182
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0045 0.0131 0.0184
Plasmodium falciparum histone deacetylase, putative 0.0789 0.4579 0.6442
Trypanosoma cruzi histone deacetylase, putative 0.0578 0.3315 0.4642
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.0866 0.5037 0.7054
Trichomonas vaginalis Clan CA, family C19, ubiquitin hydrolase-like cysteine peptidase 0.0046 0.014 0.0081
Echinococcus multilocularis atpase aaa+ type core atpase aaa type core 0.0825 0.4789 0.674
Brugia malayi MH2 domain containing protein 0.0237 0.1277 0.1265
Echinococcus multilocularis jumonji domain containing protein 0.0122 0.0593 0.0835
Mycobacterium ulcerans fructose-bisphosphate aldolase 0.0423 0.239 1
Loa Loa (eye worm) hypothetical protein 0.0088 0.0388 0.0357
Trichomonas vaginalis chromobox protein, putative 0.0045 0.0134 0.0073
Trichomonas vaginalis Clan CA, family C19, ubiquitin hydrolase-like cysteine peptidase 0.0046 0.014 0.0081
Echinococcus granulosus Chromo domain 0.0045 0.0134 0.0189
Echinococcus multilocularis chromobox protein 1 0.0277 0.1519 0.2138
Loa Loa (eye worm) helicase 0.0045 0.0134 0.0102
Trypanosoma brucei cytochrome P450, putative 0.0028 0.0032 0.0038
Loa Loa (eye worm) hypothetical protein 0.0045 0.0134 0.0102
Trichomonas vaginalis brca1-associated protein, putative 0.0046 0.014 0.0081
Echinococcus granulosus potassium voltage gated channel subfamily H 0.0039 0.0099 0.0139
Echinococcus granulosus histone deacetylase 8 0.0578 0.3315 0.4666
Schistosoma mansoni hypothetical protein 0.0338 0.1883 0.265
Toxoplasma gondii PHD-finger domain-containing protein 0.0029 0.0035 0.0029
Entamoeba histolytica histone deacetylase, putative 0.1212 0.7105 1
Echinococcus granulosus histone deacetylase 1 0.1212 0.7105 1
Toxoplasma gondii chromodomain helicase DNA binding protein CHD1/SWI2/SNF2 0.0045 0.0134 0.0129
Leishmania major histone deacetylase, putative 0.1212 0.7105 1
Brugia malayi AF-10 protein 0.0029 0.0035 0.002
Leishmania major hypothetical protein, conserved 0.0046 0.014 0.019
Echinococcus granulosus chromobox protein 1 0.0277 0.1519 0.2138
Loa Loa (eye worm) cytochrome P450 family protein 0.006 0.022 0.0188
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.0866 0.5037 0.7054
Onchocerca volvulus Heterochromatin protein 1 homolog 0.0155 0.0791 0.2066
Giardia lamblia PHD finger protein 15 0.0088 0.0388 0.0356
Mycobacterium ulcerans cytochrome P450 185A4 Cyp185A4 0.0028 0.0032 0.0112
Brugia malayi Bromodomain containing protein 0.009 0.0402 0.0388
Echinococcus granulosus lysine specific demethylase 6a 0.0028 0.0032 0.0046
Trichomonas vaginalis Clan CA, family C19, ubiquitin hydrolase-like cysteine peptidase 0.0046 0.014 0.0081
Trichomonas vaginalis chromobox protein, putative 0.0045 0.0134 0.0073
Loa Loa (eye worm) ubiquitin carboxyl-terminal hydrolase 0.0046 0.014 0.0108
Leishmania major hypothetical protein, conserved 0.0046 0.014 0.019
Echinococcus multilocularis PHD finger protein rhinoceros 0.0088 0.0388 0.0546
Echinococcus granulosus Chromobox protein 3 0.0045 0.0134 0.0189
Brugia malayi SET domain containing protein 0.0045 0.0134 0.012
Trypanosoma cruzi ubiquitin carboxyl-terminal hydrolase, putative 0.0046 0.014 0.0153
Trichomonas vaginalis chromodomain-helicase-DNA-binding protein, putative 0.0045 0.0134 0.0073
Brugia malayi GTP-binding regulatory protein Gs alpha-S chain, putative 0.0045 0.0131 0.0117
Brugia malayi jmjC domain containing protein 0.0108 0.051 0.0496
Brugia malayi Ubiquitin carboxyl-terminal hydrolase family protein 0.0046 0.014 0.0126
Schistosoma mansoni jumonji domain containing protein 0.0228 0.1228 0.1728
Echinococcus granulosus histone deacetylase 6 0.0789 0.4579 0.6444
Loa Loa (eye worm) hypothetical protein 0.0151 0.0762 0.0733
Plasmodium vivax hypothetical protein, conserved 0.0045 0.0134 0.0129
Loa Loa (eye worm) hypothetical protein 0.0045 0.0134 0.0102
Brugia malayi Type III restriction enzyme, res subunit family protein 0.0045 0.0134 0.012
Schistosoma mansoni transcription factor LCR-F1 0.0071 0.0289 0.0407
Loa Loa (eye worm) ubiquitin carboxyl-terminal hydrolase 0.0046 0.014 0.0108
Echinococcus multilocularis chromobox protein 1 0.0277 0.1519 0.2138
Echinococcus multilocularis histone deacetylase 8 0.0578 0.3315 0.4666
Trichomonas vaginalis conserved hypothetical protein 0.0045 0.0134 0.0073
Brugia malayi chromobox protein homolog 3 0.0155 0.0791 0.0778
Trichomonas vaginalis histone deacetylase, putative 0.1212 0.7105 1
Plasmodium falciparum heterochromatin protein 1 0.0045 0.0134 0.0182
Loa Loa (eye worm) hypothetical protein 0.0045 0.0134 0.0102
Toxoplasma gondii histone deacetylase HDAC5 0.0578 0.3315 0.3312
Echinococcus multilocularis histone deacetylase 1 0.1212 0.7105 1
Echinococcus granulosus bromodomain adjacent to zinc finger domain 0.0037 0.0081 0.0114
Brugia malayi hypothetical protein 0.0045 0.0134 0.012
Echinococcus multilocularis geminin 0.0338 0.1883 0.265
Trichomonas vaginalis conserved hypothetical protein 0.0045 0.0134 0.0073
Toxoplasma gondii histone deacetylase HDAC3 0.1212 0.7105 0.7104
Echinococcus multilocularis histone deacetylase 3 0.1212 0.7105 1
Schistosoma mansoni chromobox protein 0.0277 0.1519 0.2138
Schistosoma mansoni histone deacetylase hda2 0.0578 0.3315 0.4666
Schistosoma mansoni histone deacetylase hda2 0.0836 0.4856 0.6834
Echinococcus multilocularis ubiquitin carboxyl terminal hydrolase 5 0.0046 0.014 0.0197
Toxoplasma gondii PHD-finger domain-containing protein 0.0088 0.0388 0.0383
Loa Loa (eye worm) hypothetical protein 0.1212 0.7105 0.7096
Echinococcus granulosus lysine specific demethylase 5A 0.0108 0.051 0.0717
Echinococcus granulosus BRCA1 associated protein 0.0046 0.014 0.0197
Plasmodium falciparum phd finger protein, putative 0.0088 0.0388 0.0539
Schistosoma mansoni hypothetical protein 0.0029 0.0035 0.0049
Loa Loa (eye worm) hypothetical protein 0.0041 0.0111 0.0079
Schistosoma mansoni chromodomain helicase DNA binding protein 0.0045 0.0134 0.0189
Schistosoma mansoni chromobox protein 0.0045 0.0134 0.0189
Trichomonas vaginalis chromodomain-helicase-DNA-binding protein, putative 0.0045 0.0134 0.0073
Entamoeba histolytica chromodomain-helicase-DNA-binding protein, putative 0.0045 0.0134 0.0182
Toxoplasma gondii histone deacetylase HDAC1 0.0789 0.4579 0.4576
Trypanosoma cruzi JmjC domain, hydroxylase, putative 0.0028 0.0032 0.0001
Brugia malayi CHD4 protein 0.0047 0.0146 0.0131
Trichomonas vaginalis conserved hypothetical protein 0.0045 0.0134 0.0073
Trichomonas vaginalis histone deacetylase, putative 0.1212 0.7105 1
Trichomonas vaginalis conserved hypothetical protein 0.0155 0.0791 0.1008
Loa Loa (eye worm) hypothetical protein 0.0072 0.0293 0.0262
Toxoplasma gondii histone lysine demethylase JMJD6a 0.0028 0.0032 0.0027
Loa Loa (eye worm) hypothetical protein 0.0258 0.1404 0.1376
Leishmania major histone deacetylase, putative 0.0789 0.4579 0.6442
Echinococcus granulosus histone deacetylase 7 0.0789 0.4579 0.6444
Giardia lamblia Histone deacetylase 0.1212 0.7105 1
Loa Loa (eye worm) jmjC domain-containing protein 0.0181 0.0946 0.0917
Loa Loa (eye worm) histone deacetylase 7A 0.0789 0.4579 0.4561
Loa Loa (eye worm) hypothetical protein 0.0212 0.1127 0.1098
Echinococcus granulosus geminin 0.0338 0.1883 0.265
Entamoeba histolytica hypothetical protein 0.0071 0.0289 0.04
Trypanosoma cruzi Ring finger domain/Zn-finger in ubiquitin-hydrolases and other protein, putative 0.0046 0.014 0.0153
Trichomonas vaginalis conserved hypothetical protein 0.011 0.052 0.0623
Echinococcus multilocularis potassium voltage gated channel subfamily H 0.0039 0.0099 0.0139
Trypanosoma cruzi histone deacetylase 1, putative 0.1212 0.7105 1
Loa Loa (eye worm) hypothetical protein 0.0045 0.0134 0.0102
Echinococcus granulosus peregrin 0.009 0.0402 0.0566
Schistosoma mansoni chromobox protein 0.0277 0.1519 0.2138
Brugia malayi Ubiquitin carboxyl-terminal hydrolase family protein 0.0046 0.014 0.0126
Trichomonas vaginalis conserved hypothetical protein 0.0045 0.0134 0.0073
Plasmodium vivax histone deacetylase 1, putative 0.1212 0.7105 0.7104
Trypanosoma cruzi histone deacetylase, putative 0.0789 0.4579 0.6428
Loa Loa (eye worm) hypothetical protein 0.0122 0.0591 0.0561
Entamoeba histolytica hypothetical protein 0.0045 0.0134 0.0182
Echinococcus granulosus histone deacetylase 6 0.0836 0.4856 0.6834
Trichomonas vaginalis chromodomain-helicase-DNA-binding protein, putative 0.0045 0.0134 0.0073
Echinococcus multilocularis Chromo domain 0.0045 0.0134 0.0189

Activities

Activity type Activity value Assay description Source Reference
Potency (functional) 6.3096 uM PubChem BioAssay. qHTS Assay for Inhibitors of the HIV-1 protein Vpr. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) = 22.3872 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 (binding) = 44.6684 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) 89.1251 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

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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