Detailed information for compound 564827

Basic information

Technical information
  • TDR Targets ID: 564827
  • Name: 2-[2-(2,2,5,7,8-pentamethylchroman-6-yl)oxyet hyl]guanidine
  • MW: 305.415 | Formula: C17H27N3O2
  • H donors: 2 H acceptors: 0 LogP: 2.42 Rotable bonds: 4
    Rule of 5 violations (Lipinski): 1
  • SMILES: NC(=NCCOc1c(C)c(C)c2c(c1C)CCC(O2)(C)C)N
  • InChi: 1S/C17H27N3O2/c1-10-11(2)15-13(6-7-17(4,5)22-15)12(3)14(10)21-9-8-20-16(18)19/h6-9H2,1-5H3,(H4,18,19,20)
  • InChiKey: DQHSVVFVHBOZQO-UHFFFAOYSA-N  


Substructure search Similarity search

Network

Hover on a compound node to display the structore

Synonyms

  • 2-[2-[(2,2,5,7,8-pentamethyl-3,4-dihydro-2H-1-benzopyran-6-yl)oxy]ethyl]guanidine
  • 2-[2-[(2,2,5,7,8-pentamethyl-3,4-dihydrochromen-6-yl)oxy]ethyl]guanidine
  • cromanidin
  • 2-[2-[(2,2,5,7,8-pentamethyl-6-chromanyl)oxy]ethyl]guanidine
  • 47207-85-2
  • 2,2,5,7,8-Pentamethyl-6-(2-guanidinoethoxy)chroman
  • Guanidine, (2-((3,4-dihydro-2,2,5,7,8-pentamethyl-2H-1-benzopyran-6-yl)oxy)ethyl)-
  • Vufb 6494

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
Echinococcus granulosus geminin 0.0343 0.3896 0.5513
Echinococcus multilocularis bromodomain adjacent to zinc finger domain 0.0061 0.04 0.0566
Echinococcus granulosus survival motor neuron protein 1 0.0245 0.2683 0.3797
Schistosoma mansoni kinase 0.005 0.0274 0.0388
Echinococcus multilocularis carboxylesterase 5A 0.06 0.7066 1
Onchocerca volvulus Serine\/threonine kinase homolog 0.0099 0.0877 0.7067
Loa Loa (eye worm) hypothetical protein 0.0129 0.1241 0.1241
Loa Loa (eye worm) hypothetical protein 0.0041 0.0162 0.0162
Loa Loa (eye worm) hypothetical protein 0.0837 1 1
Schistosoma mansoni chromobox protein 0.0073 0.0555 0.0786
Loa Loa (eye worm) hypothetical protein 0.0053 0.03 0.03
Schistosoma mansoni ap endonuclease 0.0039 0.0133 0.0188
Loa Loa (eye worm) GTP-binding regulatory protein Gs alpha-S chain 0.0048 0.0245 0.0245
Brugia malayi Carboxylesterase family protein 0.0101 0.0904 0.1013
Schistosoma mansoni family S9 non-peptidase homologue (S09 family) 0.0101 0.0904 0.128
Toxoplasma gondii LsmAD domain-containing protein 0.0053 0.03 1
Schistosoma mansoni ap endonuclease 0.0039 0.0133 0.0188
Onchocerca volvulus Huntingtin homolog 0.0129 0.1241 1
Brugia malayi Latrophilin receptor protein 2 0.0062 0.0419 0.047
Leishmania major protein kinase, putative,polo-like protein kinase, putative 0.0099 0.0877 1
Loa Loa (eye worm) hypothetical protein 0.0041 0.0158 0.0158
Loa Loa (eye worm) hypothetical protein 0.06 0.7066 0.7066
Loa Loa (eye worm) hypothetical protein 0.0032 0.0049 0.0049
Entamoeba histolytica fructose-1,6-bisphosphate aldolase, putative 0.0282 0.3141 1
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0048 0.0245 0.0347
Brugia malayi hypothetical protein 0.0129 0.1241 0.139
Loa Loa (eye worm) PLK/PLK1 protein kinase 0.0099 0.0877 0.0877
Loa Loa (eye worm) carboxylesterase 0.0101 0.0904 0.0904
Loa Loa (eye worm) hypothetical protein 0.0062 0.0419 0.0419
Loa Loa (eye worm) hypothetical protein 0.0072 0.0538 0.0538
Echinococcus granulosus para nitrobenzyl esterase 0.0101 0.0904 0.128
Echinococcus multilocularis GPCR, family 2 0.0062 0.0419 0.0594
Brugia malayi latrophilin 2 splice variant baaae 0.0134 0.1311 0.1468
Echinococcus granulosus chromobox protein 1 0.0073 0.0555 0.0786
Echinococcus granulosus carboxylesterase 5A 0.06 0.7066 1
Schistosoma mansoni family S28 unassigned peptidase (S28 family) 0.0381 0.4364 0.6176
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0048 0.0245 0.0347
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.0282 0.3141 1
Schistosoma mansoni hypothetical protein 0.0343 0.3896 0.5513
Brugia malayi follicle stimulating hormone receptor 0.0751 0.8927 1
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0048 0.0245 0.0347
Brugia malayi Heterochromatin protein 1 0.0073 0.0555 0.0622
Echinococcus multilocularis chromobox protein 1 0.0073 0.0555 0.0786
Trichomonas vaginalis CAMK family protein kinase 0.0099 0.0877 0.2769
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.0196 0.2079 0.2329
Loa Loa (eye worm) hypothetical protein 0.0101 0.0904 0.0904
Onchocerca volvulus Huntingtin homolog 0.0129 0.1241 1
Brugia malayi Carboxylesterase family protein 0.06 0.7066 0.7915
Schistosoma mansoni hypothetical protein 0.0134 0.1311 0.1855
Schistosoma mansoni BC026374 protein (S09 family) 0.0101 0.0904 0.128
Schistosoma mansoni serine/threonine protein kinase 0.0099 0.0877 0.1241
Onchocerca volvulus 0.0101 0.0904 0.7285
Onchocerca volvulus 0.0032 0.0049 0.0392
Loa Loa (eye worm) carboxylesterase 0.0101 0.0904 0.0904
Schistosoma mansoni hypothetical protein 0.0343 0.3896 0.5513
Echinococcus multilocularis cadherin EGF LAG seven pass G type receptor 0.0062 0.0419 0.0594
Echinococcus granulosus cadherin EGF LAG seven pass G type receptor 0.0062 0.0419 0.0594
Mycobacterium ulcerans carboxylesterase, LipT 0.0101 0.0904 0.6307
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.0282 0.3141 1
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0048 0.0245 0.0347
Loa Loa (eye worm) carboxylesterase 0.06 0.7066 0.7066
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0048 0.0245 0.0347
Loa Loa (eye worm) hypothetical protein 0.0101 0.0904 0.0904
Echinococcus multilocularis neuroligin 0.0101 0.0904 0.128
Schistosoma mansoni hypothetical protein 0.005 0.027 0.0382
Brugia malayi Carboxylesterase family protein 0.06 0.7066 0.7915
Trichomonas vaginalis conserved hypothetical protein 0.0041 0.0158 0.0473
Trichomonas vaginalis chromobox protein, putative 0.0073 0.0555 0.1742
Schistosoma mansoni survival motor neuron protein 0.005 0.027 0.0382
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.0282 0.3141 1
Entamoeba histolytica serine/threonine protein kinase, putative 0.0099 0.0877 0.2475
Brugia malayi hypothetical protein 0.0101 0.0904 0.1013
Echinococcus multilocularis acetylcholinesterase 0.06 0.7066 1
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0048 0.0245 0.0347
Brugia malayi serine/threonine-protein kinase plk-2 0.0099 0.0877 0.0982
Trichomonas vaginalis carboxylesterase domain containing protein, putative 0.0101 0.0904 0.2856
Echinococcus multilocularis Lysosomal Pro X carboxypeptidase 0.0381 0.4364 0.6176
Echinococcus granulosus DNA apurinic or apyrimidinic site lyase 0.0039 0.0133 0.0188
Loa Loa (eye worm) hypothetical protein 0.0039 0.0132 0.0132
Loa Loa (eye worm) hypothetical protein 0.0043 0.0186 0.0186
Loa Loa (eye worm) exodeoxyribonuclease III family protein 0.0039 0.0133 0.0133
Echinococcus granulosus neuroligin 0.0101 0.0904 0.128
Brugia malayi Calcitonin receptor-like protein seb-1 0.0196 0.2079 0.2329
Loa Loa (eye worm) hypothetical protein 0.0101 0.0904 0.0904
Echinococcus multilocularis serine:threonine protein kinase PLK1 0.0099 0.0877 0.1241
Brugia malayi Carboxylesterase family protein 0.0101 0.0904 0.1013
Echinococcus multilocularis diuretic hormone 44 receptor GPRdih2 0.0062 0.0419 0.0594
Trichomonas vaginalis CAMK family protein kinase 0.0049 0.0258 0.0792
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.0282 0.3141 1
Trichomonas vaginalis spcc417.12 protein, putative 0.0101 0.0904 0.2856
Echinococcus granulosus acetylcholinesterase 0.06 0.7066 1
Trypanosoma cruzi PAB1-binding protein , putative 0.0053 0.03 0.2252
Leishmania major hypothetical protein, conserved 0.0053 0.03 0.2252
Brugia malayi calcium-independent alpha-latrotoxin receptor 2, putative 0.0062 0.0419 0.047
Mycobacterium ulcerans fructose-bisphosphate aldolase 0.0138 0.1356 1
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0048 0.0245 0.0347
Echinococcus multilocularis chromobox protein 1 0.0073 0.0555 0.0786
Schistosoma mansoni family S9 non-peptidase homologue (S09 family) 0.0101 0.0904 0.128
Onchocerca volvulus Heterochromatin protein 1 homolog 0.0044 0.0197 0.1584
Brugia malayi exodeoxyribonuclease III family protein 0.0039 0.0133 0.0148
Trichomonas vaginalis CAMK family protein kinase 0.0099 0.0877 0.2769
Loa Loa (eye worm) hypothetical protein 0.0129 0.1241 0.1241
Echinococcus granulosus Lysosomal Pro X carboxypeptidase 0.0381 0.4364 0.6176
Mycobacterium tuberculosis Probable fructose-bisphosphate aldolase Fba 0.0138 0.1356 1
Loa Loa (eye worm) hypothetical protein 0.0245 0.2683 0.2683
Echinococcus granulosus acetylcholinesterase 0.06 0.7066 1
Brugia malayi chromobox protein homolog 3 0.0041 0.0158 0.0177
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.0282 0.3141 1
Brugia malayi Carboxylesterase family protein 0.0101 0.0904 0.1013
Onchocerca volvulus 0.0101 0.0904 0.7285
Loa Loa (eye worm) hypothetical protein 0.0101 0.0904 0.0904
Trichomonas vaginalis CAMK family protein kinase 0.0099 0.0877 0.2769
Loa Loa (eye worm) hypothetical protein 0.0101 0.0904 0.0904
Loa Loa (eye worm) heterochromatin protein 1 0.0073 0.0555 0.0555
Mycobacterium tuberculosis Carboxylesterase LipT 0.0101 0.0904 0.6307
Loa Loa (eye worm) latrophilin receptor protein 2 0.0062 0.0419 0.0419
Trichomonas vaginalis CAMK family protein kinase 0.0099 0.0877 0.2769
Loa Loa (eye worm) hypothetical protein 0.0101 0.0904 0.0904
Trypanosoma cruzi polo-like protein kinase, putative 0.0099 0.0877 1
Onchocerca volvulus 0.0101 0.0904 0.7285
Loa Loa (eye worm) acetylcholinesterase 1 0.06 0.7066 0.7066
Echinococcus multilocularis BC026374 protein (S09 family) 0.0101 0.0904 0.128
Mycobacterium tuberculosis POSSIBLE PARA-NITROBENZYL ESTERASE (FRAGMENT) 0.0101 0.0904 0.6307
Loa Loa (eye worm) hypothetical protein 0.0196 0.2079 0.2079
Schistosoma mansoni hypothetical protein 0.0062 0.0419 0.0594
Brugia malayi GTP-binding regulatory protein Gs alpha-S chain, putative 0.0048 0.0245 0.0274
Echinococcus multilocularis family S9 non peptidase ue (S09 family) 0.0101 0.0904 0.128
Trichomonas vaginalis chromobox protein, putative 0.0044 0.0197 0.0596
Treponema pallidum fructose-bisphosphate aldolase 0.0282 0.3141 1
Echinococcus multilocularis survival motor neuron protein 1 0.0245 0.2683 0.3797
Trypanosoma cruzi polo-like protein kinase, putative 0.0099 0.0877 1
Echinococcus granulosus diuretic hormone 44 receptor GPRdih2 0.0062 0.0419 0.0594
Brugia malayi hypothetical protein 0.0053 0.03 0.0336
Schistosoma mansoni hypothetical protein 0.0062 0.0419 0.0594
Echinococcus multilocularis bromodomain adjacent to zinc finger domain 0.0036 0.0102 0.0144
Trypanosoma brucei PAB1-binding protein , putative 0.0053 0.03 0.2252
Trichomonas vaginalis ap endonuclease, putative 0.0039 0.0133 0.0391
Trypanosoma cruzi PAB1-binding protein , putative 0.0053 0.03 0.2252
Mycobacterium leprae Probable fructose bisphosphate aldolase Fba 0.0138 0.1356 0.5
Brugia malayi Carboxylesterase family protein 0.0101 0.0904 0.1013
Echinococcus multilocularis acetylcholinesterase 0.06 0.7066 1
Onchocerca volvulus 0.005 0.027 0.2173
Trypanosoma brucei polo-like protein kinase 0.0099 0.0877 1
Plasmodium falciparum ataxin-2 like protein, putative 0.0053 0.03 1
Entamoeba histolytica fructose-1,6-bisphosphate aldolase, putative 0.0282 0.3141 1
Echinococcus multilocularis geminin 0.0343 0.3896 0.5513
Trichomonas vaginalis CAMK family protein kinase 0.0099 0.0877 0.2769
Schistosoma mansoni hypothetical protein 0.0062 0.0419 0.0594
Trichomonas vaginalis conserved hypothetical protein 0.0041 0.0158 0.0473
Echinococcus granulosus family S9 non peptidase ue S09 family 0.0101 0.0904 0.128
Echinococcus granulosus bromodomain adjacent to zinc finger domain 0.0061 0.04 0.0566
Echinococcus granulosus BC026374 protein S09 family 0.0101 0.0904 0.128
Echinococcus granulosus chromobox protein 1 0.0073 0.0555 0.0786
Echinococcus multilocularis para nitrobenzyl esterase 0.0101 0.0904 0.128
Loa Loa (eye worm) hypothetical protein 0.0101 0.0904 0.0904
Loa Loa (eye worm) pigment dispersing factor receptor c 0.0196 0.2079 0.2079
Echinococcus multilocularis DNA (apurinic or apyrimidinic site) lyase 0.0039 0.0133 0.0188
Plasmodium falciparum ataxin-2 like protein, putative 0.0053 0.03 1
Onchocerca volvulus Heterochromatin protein 1 homolog 0.0041 0.0158 0.1274
Brugia malayi Bromodomain containing protein 0.0039 0.0131 0.0147
Echinococcus granulosus bromodomain adjacent to zinc finger domain 0.0036 0.0102 0.0144
Trichomonas vaginalis chromobox protein, putative 0.0073 0.0555 0.1742
Plasmodium vivax ataxin-2 like protein, putative 0.0053 0.03 1
Giardia lamblia Fructose-bisphosphate aldolase 0.0282 0.3141 1
Schistosoma mansoni gliotactin 0.0101 0.0904 0.128
Schistosoma mansoni hypothetical protein 0.0062 0.0419 0.0594
Mycobacterium tuberculosis POSSIBLE PARA-NITROBENZYL ESTERASE (FRAGMENT) 0.0101 0.0904 0.6307
Loa Loa (eye worm) hypothetical protein 0.06 0.7066 0.7066
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.0282 0.3141 1
Schistosoma mansoni family S9 non-peptidase homologue (S09 family) 0.0101 0.0904 0.128
Brugia malayi hypothetical protein 0.0034 0.007 0.0079
Onchocerca volvulus 0.0101 0.0904 0.7285
Wolbachia endosymbiont of Brugia malayi exonuclease III 0.0039 0.0133 0.5
Brugia malayi hypothetical protein 0.0245 0.2683 0.3006
Schistosoma mansoni family S9 non-peptidase homologue (S09 family) 0.06 0.7066 1
Loa Loa (eye worm) follicle stimulating hormone receptor 0.0751 0.8927 0.8927
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.0282 0.3141 1
Onchocerca volvulus 0.0101 0.0904 0.7285
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.0282 0.3141 1
Echinococcus granulosus GPCR family 2 0.0062 0.0419 0.0594
Schistosoma mansoni chromobox protein 0.0073 0.0555 0.0786
Schistosoma mansoni acetylcholinesterase 0.0101 0.0904 0.128
Trichomonas vaginalis CAMK family protein kinase 0.0099 0.0877 0.2769
Brugia malayi Iron-sulfur cluster assembly accessory protein 0.005 0.027 0.0302
Trichomonas vaginalis CAMK family protein kinase 0.0099 0.0877 0.2769
Echinococcus granulosus serine:threonine protein kinase PLK1 0.0099 0.0877 0.1241
Schistosoma mansoni neuroligin 3 (S09 family) 0.0101 0.0904 0.128
Trichomonas vaginalis ap endonuclease, putative 0.0039 0.0133 0.0391
Loa Loa (eye worm) hypothetical protein 0.0134 0.1311 0.1311
Schistosoma mansoni bromodomain containing protein 0.0064 0.0445 0.0629
Brugia malayi Bromodomain containing protein 0.0076 0.0591 0.0663
Giardia lamblia Kinase, PLK 0.0099 0.0877 0.2475
Trichomonas vaginalis CAMK family protein kinase 0.0049 0.0258 0.0792
Trichomonas vaginalis chromobox protein, putative 0.0044 0.0197 0.0596

Activities

No activities found for this compound.

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.
 
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External resources for this compound

Bibliographic References

No literature references available for this target.

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