Detailed information for compound 995795

Basic information

Technical information
  • TDR Targets ID: 995795
  • Name: 4-[2-(quinazolin-4-ylamino)ethyl]phenol
  • MW: 265.31 | Formula: C16H15N3O
  • H donors: 2 H acceptors: 3 LogP: 3.46 Rotable bonds: 4
    Rule of 5 violations (Lipinski): 1
  • SMILES: Oc1ccc(cc1)CCNc1ncnc2c1cccc2
  • InChi: 1S/C16H15N3O/c20-13-7-5-12(6-8-13)9-10-17-16-14-3-1-2-4-15(14)18-11-19-16/h1-8,11,20H,9-10H2,(H,17,18,19)
  • InChiKey: JHOJFXLJJVFCBO-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

  • 4-[2-(4-quinazolinylamino)ethyl]phenol

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Homo sapiens huntingtin Starlite/ChEMBL References

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_132837 All targets in OG5_132837
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_132837 All targets in OG5_132837
Onchocerca volvulus Huntingtin homolog Get druggable targets OG5_132837 All targets in OG5_132837
Brugia malayi hypothetical protein Get druggable targets OG5_132837 All targets in OG5_132837
Onchocerca volvulus Huntingtin homolog Get druggable targets OG5_132837 All targets in OG5_132837
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 multilocularis ectonucleotide 0.047 0.2534 0.2528
Loa Loa (eye worm) jmjC domain-containing protein 0.0096 0.0395 0.0587
Loa Loa (eye worm) PHD-finger family protein 0.0028 0.0009 0.0013
Echinococcus granulosus Transcription factor JmjC domain containing protein 0.0155 0.0731 0.1296
Schistosoma mansoni hypothetical protein 0.0088 0.0347 0.0504
Echinococcus granulosus ectonucleotide pyrophosphatase:phosphodiesterase 0.0557 0.3036 0.543
Schistosoma mansoni hypothetical protein 0.0035 0.0047 0.0057
Echinococcus granulosus ectonucleotide pyrophosphatase:phosphodiesterase 0.0088 0.0347 0.0608
Brugia malayi hypothetical protein 0.0148 0.0692 0.1028
Loa Loa (eye worm) hypothetical protein 0.0088 0.0347 0.0516
Echinococcus granulosus gpi ethanolamine phosphate transferase 3 0.0088 0.0347 0.0608
Echinococcus multilocularis ectonucleotide pyrophosphatase:phosphodiesterase 0.0557 0.3036 0.303
Brugia malayi hypothetical protein 0.0166 0.0794 0.118
Echinococcus multilocularis Transcription factor, JmjC domain containing protein 0.0155 0.0731 0.0723
Schistosoma mansoni aldehyde dehydrogenase 0.0063 0.0209 0.0298
Onchocerca volvulus GPI ethanolamine phosphate transferase 3 homolog 0.0088 0.0347 0.0504
Trypanosoma brucei GPI ethanolamine phosphate transferase 3, putative 0.0088 0.0347 0.1971
Onchocerca volvulus Ectonucleotide pyrophosphatase\/phosphodiesterase family member 6 homolog 0.0088 0.0347 0.0504
Schistosoma mansoni hypothetical protein 0.0202 0.1 0.1475
Echinococcus granulosus geminin 0.0202 0.1 0.1779
Mycobacterium tuberculosis Probable fructose-bisphosphate aldolase Fba 0.0319 0.1673 1
Brugia malayi endonuclease G, mitochondrial precursor 0.0335 0.1762 0.2617
Leishmania major ethanolamine phosphotransferase, putative 0.0088 0.0347 0.1971
Loa Loa (eye worm) ICD-1 protein 0.0075 0.0274 0.0407
Echinococcus multilocularis neuropeptide receptor A26 0.1003 0.5584 0.558
Brugia malayi Melibiase family protein 0.0073 0.0264 0.0392
Trypanosoma brucei transcription factor BTF3, putative 0.0075 0.0274 0.1555
Echinococcus granulosus peregrin 0.0032 0.0031 0.004
Echinococcus multilocularis Endonuclease G 0.0335 0.1762 0.1755
Onchocerca volvulus 0.1203 0.6732 1
Loa Loa (eye worm) hypothetical protein 0.0065 0.0219 0.0325
Schistosoma mansoni hypothetical protein 0.0202 0.1 0.1475
Onchocerca volvulus 0.0557 0.3036 0.4502
Echinococcus granulosus ectonucleotide pyrophosphatase:phosphodiesterase 0.0557 0.3036 0.543
Echinococcus multilocularis ectonucleotide pyrophosphatase:phosphodiesterase 0.047 0.2534 0.2528
Loa Loa (eye worm) hypothetical protein 0.0557 0.3036 0.4509
Leishmania major basic transcription factor 3a, putative 0.0075 0.0274 0.1555
Echinococcus multilocularis geminin 0.0202 0.1 0.0992
Loa Loa (eye worm) hypothetical protein 0.0557 0.3036 0.4509
Trypanosoma cruzi endonuclease G, putative 0.0335 0.1762 1
Onchocerca volvulus 0.0166 0.0794 0.1169
Loa Loa (eye worm) hypothetical protein 0.0073 0.0264 0.0392
Treponema pallidum fructose-bisphosphate aldolase 0.0654 0.3586 0.5
Giardia lamblia Histone acetyltransferase GCN5 0.0043 0.009 0.0226
Loa Loa (eye worm) hypothetical protein 0.047 0.2534 0.3764
Plasmodium falciparum basic transcription factor 3b, putative 0.0075 0.0274 0.7889
Schistosoma mansoni ectonucleotide pyrophosphatase/phosphodiesterase 0.0557 0.3036 0.4502
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.0654 0.3586 1
Giardia lamblia Fructose-bisphosphate aldolase 0.0654 0.3586 1
Toxoplasma gondii histone lysine acetyltransferase GCN5-B 0.0046 0.0112 0.0634
Entamoeba histolytica fructose-1,6-bisphosphate aldolase, putative 0.0654 0.3586 1
Echinococcus multilocularis aldehyde dehydrogenase, mitochondrial 0.0063 0.0209 0.0201
Echinococcus multilocularis Glycoside hydrolase, family 27 0.011 0.0473 0.0465
Schistosoma mansoni hypothetical protein 0.0088 0.0347 0.0504
Schistosoma mansoni endonuclease related 0.0335 0.1762 0.2608
Onchocerca volvulus Huntingtin homolog 0.0148 0.0692 0.1017
Entamoeba histolytica phosphatidylinositol-glycan biosynthesis class O protein, putative 0.0088 0.0347 0.0849
Echinococcus granulosus jumonji domain containing protein 0.004 0.0072 0.0115
Echinococcus granulosus transferase 0.0088 0.0347 0.0608
Brugia malayi PHD-finger family protein 0.0028 0.0009 0.0013
Schistosoma mansoni aldehyde dehydrogenase 0.0063 0.0209 0.0298
Toxoplasma gondii aldehyde dehydrogenase 0.0063 0.0209 0.1186
Trypanosoma brucei endonuclease G, putative 0.0335 0.1762 1
Echinococcus granulosus ectonucleotide pyrophosphatase:phosphodiesterase 0.0557 0.3036 0.543
Echinococcus multilocularis lysine specific demethylase 5A 0.0096 0.0395 0.0387
Onchocerca volvulus Ectonucleotide pyrophosphatase\/phosphodiesterase family member 7 homolog 0.0088 0.0347 0.0504
Schistosoma mansoni hypothetical protein 0.0088 0.0347 0.0504
Echinococcus multilocularis ectonucleotide pyrophosphatase:phosphodiesterase 0.0088 0.0347 0.0339
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.0654 0.3586 1
Entamoeba histolytica fructose-1,6-bisphosphate aldolase, putative 0.0654 0.3586 1
Echinococcus granulosus histone acetyltransferase KAT2B 0.0046 0.0112 0.0185
Loa Loa (eye worm) thrombospondin type 1 domain-containing protein 0.1203 0.6732 1
Echinococcus multilocularis neuropeptide s receptor 0.1003 0.5584 0.558
Brugia malayi Thrombospondin type 1 domain containing protein 0.1203 0.6732 1
Plasmodium vivax histone acetyltransferase GCN5, putative 0.0046 0.0112 0.4077
Mycobacterium ulcerans fructose-bisphosphate aldolase 0.0319 0.1673 1
Schistosoma mansoni alpha-galactosidase/alpha-n-acetylgalactosaminidase 0.0073 0.0264 0.038
Onchocerca volvulus GPI ethanolamine phosphate transferase 1 homolog 0.0088 0.0347 0.0504
Toxoplasma gondii DNA/RNA non-specific endonuclease 0.0335 0.1762 1
Leishmania major aldehyde dehydrogenase, mitochondrial precursor 0.0063 0.0209 0.1186
Schistosoma mansoni alpha-galactosidase/alpha-n-acetylgalactosaminidase 0.011 0.0473 0.0691
Schistosoma mansoni ectonucleotide pyrophosphatase/phosphodiesterase 0.0557 0.3036 0.4502
Plasmodium falciparum histone acetyltransferase GCN5 0.0043 0.009 0.2578
Echinococcus granulosus Alpha N acetylgalactosaminidase 0.011 0.0473 0.0833
Echinococcus multilocularis ectonucleotide pyrophosphatase:phosphodiesterase 0.0557 0.3036 0.303
Loa Loa (eye worm) hypothetical protein 0.0557 0.3036 0.4509
Schistosoma mansoni hypothetical protein 0.1203 0.6732 1
Echinococcus granulosus ectonucleotide pyrophosphatase:phosphodiesterase 0.047 0.2534 0.453
Echinococcus granulosus ectonucleotide 0.047 0.2534 0.453
Echinococcus multilocularis ectonucleotide pyrophosphatase:phosphodiesterase 0.0557 0.3036 0.303
Echinococcus granulosus neuropeptide s receptor 0.1003 0.5584 1
Schistosoma mansoni alpha-galactosidase/alpha-n-acetylgalactosaminidase 0.011 0.0473 0.0691
Toxoplasma gondii PHD-finger domain-containing protein 0.0028 0.0009 0.0049
Mycobacterium leprae Probable fructose bisphosphate aldolase Fba 0.0319 0.1673 1
Loa Loa (eye worm) type I phosphodiesterase/nucleotide pyrophosphatase 0.0088 0.0347 0.0516
Brugia malayi acetyltransferase, GNAT family protein 0.0158 0.075 0.1115
Echinococcus granulosus transcription factor btf3 0.0075 0.0274 0.0476
Brugia malayi Bromodomain containing protein 0.0032 0.0031 0.0046
Plasmodium falciparum phd finger protein, putative 0.0028 0.0009 0.0248
Leishmania major endonuclease G, putative 0.0335 0.1762 1
Trichomonas vaginalis conserved hypothetical protein 0.0075 0.0274 0.0467
Echinococcus multilocularis Alkaline phosphatase, core domain 0.0088 0.0347 0.0339
Plasmodium vivax hypothetical protein, conserved 0.0028 0.0009 0.0315
Onchocerca volvulus Huntingtin homolog 0.0148 0.0692 0.1017
Brugia malayi hypothetical protein 0.0035 0.0047 0.0069
Brugia malayi jmjC domain containing protein 0.0096 0.0395 0.0587
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.0654 0.3586 1
Echinococcus multilocularis Alpha N acetylgalactosaminidase 0.011 0.0473 0.0465
Trypanosoma brucei endonuclease G, putative 0.0335 0.1762 1
Echinococcus multilocularis gpi ethanolamine phosphate transferase 3 0.0088 0.0347 0.0339
Echinococcus granulosus ectonucleotide pyrophosphatase:phosphodiesterase 0.0557 0.3036 0.543
Echinococcus granulosus ectonucleotide pyrophosphatase:phosphodiesterase 0.0557 0.3036 0.543
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.0654 0.3586 1
Schistosoma mansoni jumonji/arid domain-containing protein 0.0096 0.0395 0.0574
Echinococcus granulosus lysine specific demethylase 5A 0.0096 0.0395 0.0693
Schistosoma mansoni hypothetical protein 0.0088 0.0347 0.0504
Schistosoma mansoni transcription factor LCR-F1 0.0035 0.0047 0.0057
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.0654 0.3586 1
Giardia lamblia Phosphatidylinositol-glycan biosynthesis, class O protein 0.0088 0.0347 0.0947
Entamoeba histolytica acetyltransferase, GNAT family 0.0043 0.009 0.0121
Onchocerca volvulus 0.0557 0.3036 0.4502
Schistosoma mansoni jumonji/arid domain-containing protein 0.0096 0.0395 0.0574
Brugia malayi Type I phosphodiesterase / nucleotide pyrophosphatase family protein 0.0088 0.0347 0.0516
Schistosoma mansoni jumonji domain containing protein 0.0136 0.0622 0.0912
Trichomonas vaginalis alpha-galactosidase/alpha-N-acetylgalactosaminidase, putative 0.0073 0.0264 0.0438
Entamoeba histolytica transcription factor BTF3, putative 0.0075 0.0274 0.0642
Mycobacterium ulcerans hypothetical protein 0.0088 0.0347 0.0946
Brugia malayi Type I phosphodiesterase / nucleotide pyrophosphatase family protein 0.0557 0.3036 0.4509
Onchocerca volvulus GPI ethanolamine phosphate transferase 2 homolog 0.0088 0.0347 0.0504
Toxoplasma gondii melibiase subfamily protein 0.011 0.0473 0.2684
Trypanosoma brucei endonuclease G, putative 0.0335 0.1762 1
Toxoplasma gondii histone lysine acetyltransferase GCN5-A 0.0046 0.0112 0.0634
Echinococcus granulosus histone acetyltransferase KAT2B 0.0154 0.0725 0.1285
Toxoplasma gondii NAC domain-containing protein 0.0075 0.0274 0.1555
Schistosoma mansoni ectonucleotide pyrophosphatase/phosphodiesterase 0.0557 0.3036 0.4502
Echinococcus multilocularis ectonucleotide pyrophosphatase:phosphodiesterase 0.0088 0.0347 0.0339
Toxoplasma gondii PHD-finger domain-containing protein 0.0028 0.0009 0.0049
Brugia malayi hypothetical protein 0.0088 0.0347 0.0516
Plasmodium falciparum GPI ethanolamine phosphate transferase 3, putative 0.0088 0.0347 1
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.0654 0.3586 1
Schistosoma mansoni alpha-galactosidase/alpha-n-acetylgalactosaminidase 0.0073 0.0264 0.038
Schistosoma mansoni ectonucleotide pyrophosphatase/phosphodiesterase 0.0088 0.0347 0.0504
Loa Loa (eye worm) hypothetical protein 0.0088 0.0347 0.0516
Loa Loa (eye worm) hypothetical protein 0.0148 0.0692 0.1028
Trichomonas vaginalis conserved hypothetical protein 0.0075 0.0274 0.0467
Schistosoma mansoni alpha-galactosidase/alpha-n-acetylgalactosaminidase 0.011 0.0473 0.0691
Loa Loa (eye worm) jmjC domain-containing protein 0.0059 0.0182 0.0271
Loa Loa (eye worm) acetyltransferase 0.0158 0.075 0.1115
Echinococcus multilocularis ectonucleotide pyrophosphatase:phosphodiesterase 0.0557 0.3036 0.303
Brugia malayi beta-NAC-like protein 0.0075 0.0274 0.0407
Loa Loa (eye worm) hypothetical protein 0.0148 0.0692 0.1028
Trichomonas vaginalis conserved hypothetical protein 0.0075 0.0274 0.0467
Echinococcus multilocularis ectonucleotide pyrophosphatase:phosphodiesterase 0.0557 0.3036 0.303
Loa Loa (eye worm) hypothetical protein 0.0088 0.0347 0.0516
Trypanosoma cruzi transcription factor btf3, putative 0.0075 0.0274 0.1555
Trypanosoma cruzi DNA/RNA non-specific endonuclease protein-like, putative 0.0335 0.1762 1
Schistosoma mansoni gcn5proteinral control of amino-acid synthesis 5-like 2 gcnl2 0.0158 0.075 0.1103
Echinococcus granulosus Endonuclease G 0.0335 0.1762 0.3145
Echinococcus multilocularis gpi ethanolamine phosphate transferase 1 0.0088 0.0347 0.0339
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.0654 0.3586 1
Echinococcus granulosus neuropeptide receptor A26 0.1003 0.5584 1
Echinococcus multilocularis transferase 0.0088 0.0347 0.0339
Schistosoma mansoni transcription factor btf3 0.0075 0.0274 0.0395
Leishmania major DNA/RNA non-specific endonuclease-like protein 0.0335 0.1762 1
Echinococcus multilocularis peregrin 0.0032 0.0031 0.0022
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.0654 0.3586 1
Plasmodium vivax basic transcription factor 3b, putative 0.0075 0.0274 1
Trypanosoma cruzi DNA/RNA non-specific endonuclease protein-like, putative 0.0335 0.1762 1
Loa Loa (eye worm) hypothetical protein 0.0088 0.0347 0.0516
Brugia malayi AEL166Cp 0.0088 0.0347 0.0516
Schistosoma mansoni ectonucleotide pyrophosphatase/phosphodiesterase 0.0557 0.3036 0.4502
Echinococcus multilocularis jumonji domain containing protein 0.004 0.0072 0.0064
Entamoeba histolytica hypothetical protein 0.0075 0.0274 0.0642
Trypanosoma cruzi endonuclease G, putative 0.0335 0.1762 1
Echinococcus granulosus Basic leucine zipper bZIP transcription 0.0035 0.0047 0.0068
Echinococcus multilocularis gcn5proteinral control of amino acid synthesis 0.0158 0.075 0.0742
Loa Loa (eye worm) hypothetical protein 0.0166 0.0794 0.118
Entamoeba histolytica phosphatidylinositol-glycan biosynthesis class O protein, putative 0.0088 0.0347 0.0849
Trypanosoma cruzi transcription factor btf3, putative 0.0075 0.0274 0.1555
Brugia malayi hypothetical protein 0.0088 0.0347 0.0516
Loa Loa (eye worm) hypothetical protein 0.0028 0.0009 0.0013
Echinococcus multilocularis transcription factor btf3 0.0075 0.0274 0.0266
Brugia malayi jmjC domain containing protein 0.0155 0.0731 0.1086
Schistosoma mansoni alpha-galactosidase/alpha-n-acetylgalactosaminidase 0.011 0.0473 0.0691
Echinococcus granulosus aldehyde dehydrogenase mitochondrial 0.0063 0.0209 0.0359
Echinococcus multilocularis Basic leucine zipper (bZIP) transcription 0.0035 0.0047 0.0038
Echinococcus multilocularis ectonucleotide pyrophosphatase:phosphodiesterase 0.0557 0.3036 0.303

Activities

Activity type Activity value Assay description Source Reference
IC50 (binding) > 15.8 uM Inhibition of Huntingtin protein aggregation by cell based assay ChEMBL. 19243939

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

1 literature reference was collected for this gene.

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