Detailed information for compound 1437587

Basic information

Technical information
  • TDR Targets ID: 1437587
  • Name: methyl 2-[[2-[3-[5-(1,3-benzodioxol-5-ylmethy lamino)-5-oxopentyl]-2,4-dioxoquinazolin-1-yl ]acetyl]amino]benzoate
  • MW: 586.592 | Formula: C31H30N4O8
  • H donors: 2 H acceptors: 5 LogP: 3.39 Rotable bonds: 14
    Rule of 5 violations (Lipinski): 2
  • SMILES: COC(=O)c1ccccc1NC(=O)Cn1c2ccccc2c(=O)n(c1=O)CCCCC(=O)NCc1ccc2c(c1)OCO2
  • InChi: 1S/C31H30N4O8/c1-41-30(39)21-8-2-4-10-23(21)33-28(37)18-35-24-11-5-3-9-22(24)29(38)34(31(35)40)15-7-6-12-27(36)32-17-20-13-14-25-26(16-20)43-19-42-25/h2-5,8-11,13-14,16H,6-7,12,15,17-19H2,1H3,(H,32,36)(H,33,37)
  • InChiKey: ORMOVFXAVOMLHT-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

  • methyl 2-[[2-[3-[5-(1,3-benzodioxol-5-ylmethylamino)-5-oxo-pentyl]-2,4-dioxo-quinazolin-1-yl]acetyl]amino]benzoate
  • 2-[[2-[3-[5-(1,3-benzodioxol-5-ylmethylamino)-5-oxopentyl]-2,4-dioxo-1-quinazolinyl]-1-oxoethyl]amino]benzoic acid methyl ester
  • 2-[[2-[3-[5-(1,3-benzodioxol-5-ylmethylamino)-5-keto-pentyl]-2,4-diketo-quinazolin-1-yl]acetyl]amino]benzoic acid methyl ester
  • methyl 2-[2-[3-[5-(1,3-benzodioxol-5-ylmethylamino)-5-oxo-pentyl]-2,4-dioxo-quinazolin-1-yl]ethanoylamino]benzoate
  • C260-1029
  • NCGC00106387-01

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 0.0241 0.0177 0.0045
Trypanosoma cruzi glycerol uptake protein, putative 0.0348 0.0453 0.5
Loa Loa (eye worm) hypothetical protein 0.0348 0.0453 0.0325
Toxoplasma gondii acyl-CoA:cholesterol acyltransferase alpha ACAT1-alpha 0.0348 0.0453 0.5
Entamoeba histolytica membrane-bound O-acyltransferase (MBOAT ) family protein 0.0348 0.0453 0.5
Loa Loa (eye worm) hypothetical protein 0.0241 0.0177 0.0045
Entamoeba histolytica hypothetical protein 0.0348 0.0453 0.5
Echinococcus multilocularis membrane bound acyltransferase:hhat 0.0348 0.0453 0.0453
Trichomonas vaginalis conserved hypothetical protein 0.0348 0.0453 0.5
Trypanosoma cruzi GUP1, putative 0.0348 0.0453 0.5
Echinococcus multilocularis diacylglycerol O acyltransferase 1 0.0348 0.0453 0.0453
Echinococcus multilocularis atpase aaa+ type core atpase aaa type core 0.0821 0.1675 0.1675
Entamoeba histolytica hypothetical protein, conserved 0.0348 0.0453 0.5
Trypanosoma cruzi GUP1, putative 0.0348 0.0453 0.5
Leishmania major hypothetical protein, conserved 0.0348 0.0453 0.5
Schistosoma mansoni membrane-bound acyltransferase/hhat 0.0348 0.0453 0.0453
Brugia malayi MBOAT family protein 0.0348 0.0453 0.0325
Echinococcus multilocularis o acyltransferase (membrane bound) domain 0.0348 0.0453 0.0453
Mycobacterium tuberculosis Possible penicillin-binding protein 0.023 0.0148 0.5
Schistosoma mansoni sterol O-acyltransferase 1 0.0348 0.0453 0.0453
Schistosoma mansoni o-acyltransferase (membrane bound) domain containing protein 0.0348 0.0453 0.0453
Echinococcus granulosus protein cysteine N palmitoyltransferase 0.4041 1 1
Leishmania major glycerol uptake protein, putative 0.0348 0.0453 0.5
Entamoeba histolytica vacuolar protein sorting 26 0.0348 0.0453 0.5
Loa Loa (eye worm) MBOAT family protein 0.4041 1 1
Echinococcus multilocularis Membrane bound O acyl transferase, MBOAT 0.0348 0.0453 0.0453
Trichomonas vaginalis conserved hypothetical protein 0.0348 0.0453 0.5
Trypanosoma cruzi glycerol uptake protein, putative 0.0348 0.0453 0.5
Trypanosoma brucei glycerol uptake protein, putative 0.0348 0.0453 0.5
Trichomonas vaginalis conserved hypothetical protein 0.0348 0.0453 0.5
Loa Loa (eye worm) MBOAT family protein 0.0348 0.0453 0.0325
Schistosoma mansoni hypothetical protein 0.0348 0.0453 0.0453
Loa Loa (eye worm) diacylglycerol acyltransferase 0.0348 0.0453 0.0325
Echinococcus multilocularis zinc finger protein 0.3693 0.91 0.91
Brugia malayi MBOAT family protein 0.0348 0.0453 0.0325
Schistosoma mansoni o-acyltransferase (membrane bound) domain containing protein 0.0348 0.0453 0.0453
Brugia malayi Hhat protein 0.0348 0.0453 0.0325
Schistosoma mansoni zinc finger protein 0.4041 1 1
Loa Loa (eye worm) hypothetical protein 0.0348 0.0453 0.0325
Loa Loa (eye worm) hhat protein 0.0348 0.0453 0.0325
Trypanosoma cruzi glycerol uptake protein, putative 0.0348 0.0453 0.5
Trypanosoma brucei glycerol uptake protein, putative 0.0348 0.0453 0.5
Schistosoma mansoni diacylglycerol O-acyltransferase 1 0.0348 0.0453 0.0453
Echinococcus multilocularis o acyltransferase (membrane bound) domain 0.0348 0.0453 0.0453
Plasmodium vivax diacylglycerol O-acyltransferase, putative 0.0348 0.0453 0.5
Leishmania major glycerol uptake protein, putative 0.0348 0.0453 0.5
Toxoplasma gondii hypothetical protein 0.0348 0.0453 0.5
Echinococcus granulosus Membrane bound O acyl transferase MBOAT 0.0348 0.0453 0.0453
Trichomonas vaginalis transmembrane protein nessy, putative 0.0348 0.0453 0.5
Echinococcus multilocularis sterol O acyltransferase 1 0.0348 0.0453 0.0453
Onchocerca volvulus 0.0348 0.0453 1
Schistosoma mansoni o-acyltransferase (membrane bound) domain containing protein 0.0348 0.0453 0.0453
Echinococcus granulosus sterol O acyltransferase 1 0.0348 0.0453 0.0453
Brugia malayi MBOAT family protein 0.0348 0.0453 0.0325
Loa Loa (eye worm) hypothetical protein 0.0348 0.0453 0.0325
Treponema pallidum alginate O-acetylation protein (algI) 0.0348 0.0453 0.5
Brugia malayi hypothetical protein 0.0241 0.0177 0.0045
Echinococcus granulosus zinc finger protein 0.3693 0.91 0.91
Leishmania major glycerol uptake protein, putative 0.0348 0.0453 0.5
Echinococcus multilocularis o acyltransferase (membrane bound) domain 0.0348 0.0453 0.0453
Toxoplasma gondii acyl-CoA:diacylglycerol acyltransferase 1-related enzyme 0.0348 0.0453 0.5
Schistosoma mansoni leukocyte receptor cluster (lrc) member 4 protein 0.0348 0.0453 0.0453
Echinococcus granulosus membrane bound acyltransferase:hhat 0.0348 0.0453 0.0453
Trichomonas vaginalis porcupine, putative 0.0348 0.0453 0.5
Brugia malayi diacylglycerol acyltransferase 0.0348 0.0453 0.0325
Entamoeba histolytica membrane-bound O-acyltransferase (MBOAT ) family protein 0.0348 0.0453 0.5
Loa Loa (eye worm) hhat protein 0.0348 0.0453 0.0325
Echinococcus granulosus o acyltransferase membrane bound domain 0.0348 0.0453 0.0453
Brugia malayi MBOAT family protein 0.0348 0.0453 0.0325
Echinococcus granulosus o acyltransferase membrane bound domain 0.0348 0.0453 0.0453
Echinococcus granulosus o acyltransferase membrane bound domain 0.0348 0.0453 0.0453
Entamoeba histolytica membrane-bound O-acyltransferase (MBOAT ) family protein 0.0348 0.0453 0.5
Loa Loa (eye worm) membrane bound O-acyltransferase domain containing 1 0.0348 0.0453 0.0325
Echinococcus granulosus diacylglycerol O acyltransferase 1 0.0348 0.0453 0.0453
Plasmodium falciparum diacylglycerol O-acyltransferase 0.0348 0.0453 0.5
Echinococcus multilocularis lysophospholipid acyltransferase 7 0.0348 0.0453 0.0453
Loa Loa (eye worm) hypothetical protein 0.0348 0.0453 0.0325
Echinococcus granulosus lysophospholipid acyltransferase 7 0.0348 0.0453 0.0453
Leishmania major glycerol uptake protein, putative 0.0348 0.0453 0.5
Loa Loa (eye worm) MBOAT family protein 0.0348 0.0453 0.0325
Echinococcus multilocularis protein cysteine N palmitoyltransferase 0.4041 1 1
Leishmania major glycerol uptake protein, putative 0.0348 0.0453 0.5

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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