Detailed information for compound 44667

Basic information

Technical information
  • TDR Targets ID: 44667
  • Name: 2-[4-(diethoxyphosphorylmethyl)phenyl]-5-fluo ro-4-methoxyquinazoline
  • MW: 404.372 | Formula: C20H22FN2O4P
  • H donors: 0 H acceptors: 3 LogP: 3.39 Rotable bonds: 8
    Rule of 5 violations (Lipinski): 1
  • SMILES: CCOP(=O)(Cc1ccc(cc1)c1nc(OC)c2c(n1)cccc2F)OCC
  • InChi: 1S/C20H22FN2O4P/c1-4-26-28(24,27-5-2)13-14-9-11-15(12-10-14)19-22-17-8-6-7-16(21)18(17)20(23-19)25-3/h6-12H,4-5,13H2,1-3H3
  • InChiKey: OLTGMGRQIGYUJX-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

  • 2-[4-(diethoxyphosphorylmethyl)phenyl]-5-fluoro-4-methoxy-quinazoline

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
Plasmodium falciparum conserved Plasmodium protein, unknown function 0.017 0.1078 1
Trypanosoma cruzi arginine N-methyltransferase, putative 0.006 0.0276 0.3926
Echinococcus multilocularis histone lysine methyltransferase setb histone lysine methyltransferase eggless 0.0189 0.1217 0.2409
Echinococcus multilocularis survival motor neuron protein 1 0.0267 0.1789 0.3568
Schistosoma mansoni jumonji domain containing protein 0.0077 0.0397 0.075
Echinococcus multilocularis disco interacting protein 2 0.0077 0.0402 0.0759
Echinococcus granulosus jumonji domain containing protein 0.0041 0.0136 0.0222
Echinococcus multilocularis protein arginine N methyltransferase 7 0.0029 0.0049 0.0046
Schistosoma mansoni cpg binding protein 0.0098 0.0554 0.1067
Trichomonas vaginalis protein arginine N-methyltransferase, putative 0.0031 0.0063 0.0014
Loa Loa (eye worm) hypothetical protein 0.0077 0.0402 0.0411
Brugia malayi hypothetical protein 0.0267 0.1789 0.1956
Brugia malayi jmjC domain containing protein 0.0097 0.0542 0.0592
Schistosoma mansoni histone J3 methyltransferase 0.0131 0.079 0.1546
Entamoeba histolytica hypothetical protein 0.0038 0.0112 0.0673
Entamoeba histolytica hypothetical protein 0.006 0.0276 0.2424
Schistosoma mansoni bromodomain-containing nuclear protein 1 brd1 0.003 0.0052 0.0051
Loa Loa (eye worm) PHD-finger family protein 0.003 0.0052 0.0028
Trypanosoma brucei S-adenosylmethionine decarboxylase 0.0108 0.0627 0.6174
Schistosoma mansoni phd finger protein 0.0038 0.0112 0.0173
Toxoplasma gondii PHD-finger domain-containing protein 0.003 0.0052 0.0025
Brugia malayi PHD-finger family protein 0.003 0.0052 0.0057
Brugia malayi Histone-lysine N-methyltransferase, H3 lysine-79 specific 0.0131 0.079 0.0864
Onchocerca volvulus 0.0055 0.0235 0.0184
Echinococcus multilocularis bromodomain adjacent to zinc finger domain 0.0028 0.0039 0.0025
Giardia lamblia PHD finger protein 15 0.003 0.0052 0.5
Echinococcus multilocularis peregrin 0.0067 0.0328 0.0609
Trypanosoma brucei transcription elongation factor s-II, putative 0.0038 0.0112 0.0673
Loa Loa (eye worm) hypothetical protein 0.0267 0.1789 0.1932
Schistosoma mansoni hypothetical protein 0.0053 0.0221 0.0393
Schistosoma mansoni hepatoma derived growth factor 0.0038 0.0112 0.0173
Schistosoma mansoni hypothetical protein 0.0038 0.0112 0.0173
Trypanosoma cruzi arginine N-methyltransferase, putative 0.006 0.0276 0.3926
Leishmania major modification methylase-like protein 0.0157 0.0985 1
Trypanosoma cruzi transcription elongation factor s-II, putative 0.0038 0.0112 0.109
Echinococcus multilocularis histone lysine N methyltransferase, H3 lysine 36 0.005 0.0198 0.0348
Brugia malayi SET domain containing protein 0.0137 0.0833 0.0911
Echinococcus multilocularis Transcription factor, JmjC domain containing protein 0.0097 0.0542 0.1043
Schistosoma mansoni protein arginine N-methyltransferase 1 0.0031 0.0063 0.0074
Trypanosoma cruzi S-adenosylmethionine decarboxylase proenzyme, putative 0.0108 0.0627 1
Schistosoma mansoni hypothetical protein 0.0172 0.1088 0.215
Schistosoma mansoni hepatoma derived growth factor 0.0038 0.0112 0.0173
Loa Loa (eye worm) hypothetical protein 0.006 0.0276 0.0274
Echinococcus granulosus Transcription factor JmjC domain containing protein 0.0097 0.0542 0.1043
Echinococcus multilocularis PHD finger protein rhinoceros 0.003 0.0052 0.0051
Plasmodium vivax protein arginine N-methyltransferase 1, putative 0.0031 0.0063 0.0121
Loa Loa (eye worm) PWWP domain-containing protein 0.0038 0.0112 0.0094
Echinococcus granulosus survival motor neuron protein 1 0.0267 0.1789 0.3568
Schistosoma mansoni protein arginine N-methyltransferase 1 0.0031 0.0063 0.0074
Schistosoma mansoni disco-interacting protein 2 (dip2) 0.0077 0.0402 0.0759
Toxoplasma gondii C-5 cytosine-specific DNA methylase superfamily protein 0.0157 0.0985 0.9093
Schistosoma mansoni mixed-lineage leukemia protein mll 0.0073 0.0371 0.0697
Echinococcus granulosus histone lysine N methyltransferase Ez 0.0201 0.1304 0.2587
Brugia malayi NNMT/PNMT/TEMT family protein 0.091 0.6479 0.7084
Echinococcus granulosus SET and MYND domain containing protein 3 0.0072 0.0358 0.0672
Toxoplasma gondii hypothetical protein 0.0038 0.0112 0.0612
Loa Loa (eye worm) SET domain-containing protein 0.0137 0.0833 0.0885
Loa Loa (eye worm) hypothetical protein 0.003 0.0052 0.0028
Schistosoma mansoni cpg binding protein 0.0098 0.0554 0.1067
Brugia malayi Pre-SET motif family protein 0.0163 0.1026 0.1122
Echinococcus granulosus hepatoma derived growth factor protein 0.0038 0.0112 0.0173
Entamoeba histolytica arginine N-methyltransferase protein, putative 0.006 0.0276 0.2424
Echinococcus granulosus PWWP domain containing protein 2A 0.0038 0.0112 0.0173
Brugia malayi Bromodomain containing protein 0.0028 0.0039 0.0042
Toxoplasma gondii histone arginine methyltransferase PRMT4/CARM1 0.0147 0.0911 0.8378
Echinococcus multilocularis S adenosylmethionine decarboxylase proenzyme 0.0108 0.0627 0.1215
Echinococcus granulosus histone lysine n methyltransferase suv420h1 0.0137 0.0833 0.1633
Loa Loa (eye worm) protein arginine N-methyltransferase 0.0029 0.0049 0.0025
Trypanosoma brucei S-adenosylmethionine decarboxylase proenzyme, putative 0.0108 0.0627 0.6174
Echinococcus granulosus DNA methyltransferase 2, putative 0.0157 0.0985 0.194
Trypanosoma cruzi MIZ/SP-RING zinc finger, putative 0.0038 0.0112 0.109
Echinococcus multilocularis cpg binding protein 0.0098 0.0554 0.1067
Echinococcus granulosus peregrin 0.0067 0.0328 0.0609
Echinococcus granulosus PWWP domain containing protein 2A 0.0038 0.0112 0.0173
Loa Loa (eye worm) hypothetical protein 0.0034 0.0087 0.0066
Brugia malayi Disco-interacting protein 2 homolog 0.0077 0.0402 0.0439
Plasmodium falciparum histone-lysine N-methyltransferase, putative 0.0083 0.0445 0.3828
Echinococcus multilocularis lysine specific demethylase 5A 0.0036 0.0097 0.0143
Trichomonas vaginalis protein arginine N-methyltransferase, putative 0.0031 0.0063 0.0014
Plasmodium falciparum DNA (cytosine-5)-methyltransferase 0.0157 0.0985 0.9091
Brugia malayi S-adenosylmethionine decarboxylase proenzyme 0.0108 0.0627 0.0685
Brugia malayi hypothetical protein 0.0038 0.0112 0.0123
Echinococcus multilocularis PWWP domain containing protein 2A 0.0038 0.0112 0.0173
Loa Loa (eye worm) jmjC domain-containing protein 0.0061 0.0281 0.0279
Toxoplasma gondii PHD-finger domain-containing protein 0.003 0.0052 0.0025
Trypanosoma cruzi hypothetical protein, conserved 0.0038 0.0112 0.109
Trypanosoma brucei S-adenosylmethionine decarboxylase 0.0108 0.0627 0.6174
Schistosoma mansoni hypothetical protein 0.0038 0.0112 0.0173
Echinococcus multilocularis histone lysine n methyltransferase suv420h1 0.0137 0.0833 0.1633
Trichomonas vaginalis protein arginine N-methyltransferase, putative 0.0031 0.0063 0.0014
Loa Loa (eye worm) S-adenosylmethionine decarboxylase proenzyme 0.0108 0.0627 0.0658
Echinococcus multilocularis PWWP domain containing protein 2A 0.0038 0.0112 0.0173
Schistosoma mansoni histone-lysine n-methyltransferase suv9 0.0238 0.1573 0.313
Loa Loa (eye worm) Carm1-pending protein 0.0147 0.0911 0.097
Trypanosoma brucei Protein arginine N-methyltransferase 1 catalytic subunit 0.006 0.0276 0.2424
Brugia malayi hypothetical protein 0.006 0.0276 0.0302
Schistosoma mansoni hypothetical protein 0.0029 0.0049 0.0046
Echinococcus granulosus geminin 0.0172 0.1088 0.215
Plasmodium falciparum protein arginine N-methyltransferase 1 0.0031 0.0063 0.011
Trypanosoma cruzi S-adenosylmethionine decarboxylase proenzyme, putative 0.0108 0.0627 1
Leishmania major S-adenosylmethionine decarboxylase 0.0108 0.0627 0.6174
Echinococcus granulosus lysine specific demethylase 5A 0.0037 0.0109 0.0168
Schistosoma mansoni SET domain protein 0.0051 0.0211 0.0373
Brugia malayi hypothetical protein 0.0038 0.0112 0.0123
Toxoplasma gondii histone lysine methyltransferase SET1 0.0067 0.0322 0.2655
Loa Loa (eye worm) hypothetical protein 0.0051 0.0206 0.0196
Schistosoma mansoni DNA (cytosine-5)-methyltransferase 0.0157 0.0985 0.194
Schistosoma mansoni survival motor neuron protein 0.0055 0.0235 0.0421
Brugia malayi Iron-sulfur cluster assembly accessory protein 0.0055 0.0235 0.0256
Leishmania major arginine N-methyltransferase-like protein 0.0031 0.0063 0.0148
Echinococcus multilocularis geminin 0.0172 0.1088 0.215
Onchocerca volvulus 0.0097 0.0541 0.0492
Entamoeba histolytica DNA (cytosine-5)-methyltransferase, putative 0.0157 0.0985 1
Onchocerca volvulus 0.0077 0.0402 0.0352
Echinococcus granulosus methyltransferase protein 5 0.0029 0.0049 0.0046
Echinococcus granulosus PHD finger protein rhinoceros 0.003 0.0052 0.0051
Echinococcus granulosus S adenosylmethionine decarboxylase proenzyme 0.0108 0.0627 0.1215
Brugia malayi SET domain containing protein 0.0121 0.0719 0.0786
Loa Loa (eye worm) hypothetical protein 0.0109 0.0633 0.0665
Echinococcus multilocularis histone arginine methyltransferase CARMER 0.0147 0.0911 0.1791
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0189 0.1217 0.2409
Schistosoma mansoni hypothetical protein 0.0038 0.0112 0.0173
Schistosoma mansoni enhancer of zeste ezh 0.0201 0.1304 0.2587
Echinococcus granulosus protein arginine methyltransferase 0.0031 0.0063 0.0074
Echinococcus granulosus histone arginine methyltransferase CARMER 0.0147 0.0911 0.1791
Loa Loa (eye worm) hypothetical protein 0.0131 0.079 0.0837
Trichomonas vaginalis set domain proteins, putative 0.1393 1 1
Schistosoma mansoni jumonji/arid domain-containing protein 0.0037 0.0109 0.0168
Loa Loa (eye worm) hypothetical protein 0.0112 0.0655 0.069
Echinococcus multilocularis DNA methyltransferase 2, putative 0.0157 0.0985 0.194
Loa Loa (eye worm) hypothetical protein 0.0189 0.1217 0.1305
Onchocerca volvulus 0.0038 0.0112 0.0061
Trypanosoma brucei cytosine-specific DNA methylase, putative 0.0157 0.0985 1
Loa Loa (eye worm) SET domain-containing protein 0.0201 0.1304 0.1401
Brugia malayi PWWP domain containing protein 0.0038 0.0112 0.0123
Echinococcus multilocularis hepatoma derived growth factor protein 0.0038 0.0112 0.0173
Loa Loa (eye worm) NNMT/PNMT/TEMT family protein 0.091 0.6479 0.7075
Schistosoma mansoni jumonji/arid domain-containing protein 0.0037 0.0109 0.0168
Schistosoma mansoni hypothetical protein 0.003 0.0052 0.0051
Trypanosoma cruzi hypothetical protein, conserved 0.0038 0.0112 0.109
Echinococcus granulosus histone lysine N methyltransferase H3 lysine 36 0.005 0.0198 0.0348
Onchocerca volvulus 0.0118 0.0698 0.065
Echinococcus multilocularis histone lysine N methyltransferase SETMAR 0.0129 0.0776 0.1518
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0129 0.0776 0.1518
Echinococcus granulosus histone h3 methyltransferase 0.0131 0.079 0.1546
Echinococcus granulosus histone lysine n methyltransferase setb1 0.0034 0.0087 0.0121
Echinococcus multilocularis histone lysine n methyltransferase setb1 0.0034 0.0087 0.0121
Schistosoma mansoni suppressor of variegation 4-20-related 0.0137 0.0833 0.1633
Echinococcus granulosus protein arginine N methyltransferase 7 0.0029 0.0049 0.0046
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0189 0.1217 0.2409
Echinococcus granulosus disco interacting protein 2 0.0077 0.0402 0.0759
Brugia malayi Protein arginine N-methyltransferase 0.0029 0.0049 0.0054
Echinococcus granulosus bromodomain adjacent to zinc finger domain 0.0028 0.0039 0.0025
Schistosoma mansoni mixed-lineage leukemia protein mll 0.0028 0.0041 0.003
Echinococcus multilocularis jumonji domain containing protein 0.0041 0.0136 0.0222
Plasmodium vivax S-adenosylmethionine decarboxylase-ornithine decarboxylase, putative 0.0053 0.0221 0.1817
Schistosoma mansoni protein arginine N-methyltransferase 1 0.0031 0.0063 0.0074
Brugia malayi Bromodomain containing protein 0.003 0.0052 0.0057
Brugia malayi SET domain containing protein 0.0201 0.1304 0.1426
Brugia malayi jmjC domain containing protein 0.0037 0.0109 0.0119
Plasmodium vivax histone-lysine N-methyltransferase, putative 0.0083 0.0445 0.4211
Onchocerca volvulus 0.0038 0.0112 0.0061
Brugia malayi Carm1-pending protein 0.0147 0.0911 0.0996
Echinococcus granulosus cpg binding protein 0.0098 0.0554 0.1067
Trypanosoma cruzi transcription elongation factor-like protein, putative 0.0038 0.0112 0.109
Schistosoma mansoni hypothetical protein 0.0172 0.1088 0.215
Schistosoma mansoni microtubule-associated protein tau 0.0703 0.4966 1
Echinococcus multilocularis histone lysine N methyltransferase E(z) 0.0201 0.1304 0.2587
Echinococcus multilocularis protein arginine N methyltransferase 8 0.0031 0.0063 0.0074
Loa Loa (eye worm) hypothetical protein 0.091 0.6479 0.7075
Toxoplasma gondii DNA methyltransferase 2, putative 0.0157 0.0985 0.9093
Schistosoma mansoni protein arginine n-methyltransferase 0.0147 0.0911 0.1791
Schistosoma mansoni cpg binding protein 0.0097 0.0541 0.1043
Brugia malayi F/Y-rich N-terminus family protein 0.003 0.0054 0.0059
Toxoplasma gondii histone lysine methyltransferase SET/SUV39 0.0129 0.0776 0.7067
Echinococcus multilocularis SET and MYND domain containing protein 3 0.0072 0.0358 0.0672
Echinococcus multilocularis histone h3 methyltransferase 0.0131 0.079 0.1546
Loa Loa (eye worm) jmjC domain-containing protein 0.0037 0.0109 0.0091
Loa Loa (eye worm) CXXC zinc finger family protein 0.0097 0.0541 0.0565
Toxoplasma gondii histone arginine methyltransferase PRMT1 0.0031 0.0063 0.0135
Toxoplasma gondii hypothetical protein 0.017 0.1078 1
Brugia malayi CXXC zinc finger family protein 0.0097 0.0541 0.0592
Plasmodium vivax DNA (cytosine-5)-methyltransferase, putative 0.0157 0.0985 1
Echinococcus granulosus histone lysine methyltransferase setb 0.0189 0.1217 0.2409
Loa Loa (eye worm) pre-SET domain-containing protein family protein 0.1276 0.9146 1
Echinococcus granulosus 5'partial|histone lysine N methyltransferase SETDB2 0.0151 0.094 0.185
Brugia malayi Pre-SET motif family protein 0.1276 0.9146 1
Echinococcus multilocularis microtubule associated protein 2 0.0703 0.4966 1
Plasmodium vivax SET domain protein, putative 0.0129 0.0776 0.7766
Echinococcus granulosus protein arginine N methyltransferase 8 0.0031 0.0063 0.0074
Loa Loa (eye worm) hypothetical protein 0.091 0.6479 0.7075
Schistosoma mansoni hypothetical protein 0.0055 0.0235 0.0421
Loa Loa (eye worm) hypothetical protein 0.0038 0.0112 0.0094
Plasmodium falciparum S-adenosylmethionine decarboxylase/ornithine decarboxylase 0.0053 0.0221 0.1652
Leishmania major hypothetical protein, conserved 0.0038 0.0112 0.0673
Echinococcus granulosus microtubule associated protein 2 0.0703 0.4966 1
Loa Loa (eye worm) hypothetical protein 0.007 0.0345 0.0349
Onchocerca volvulus 0.0238 0.1573 0.1529
Echinococcus multilocularis protein arginine methyltransferase 0.0031 0.0063 0.0074

Activities

Activity type Activity value Assay description Source Reference
Change (functional) = -28 % Effect on change in plasma triglycerides (TG) in triton-induced hyperlipedimic rats after peroral administration of 100 mg/kg. ChEMBL. 8691473
Change (functional) = -25 % Effect on change in total cholesterol (TC) in triton-induced hyperlipedimic rats after peroral administration of 100 mg/kg. ChEMBL. 8691473
logP (ADMET) = 5.13 Partition coefficient (logP) (HPLC) ChEMBL. 8691473

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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