Detailed information for compound 699631

Basic information

Technical information
  • TDR Targets ID: 699631
  • Name: ethyl 3-[4,7-dimethyl-6-(3-methylphenyl)-1,3- dioxopurino[7,8-a]imidazol-2-yl]propanoate
  • MW: 409.438 | Formula: C21H23N5O4
  • H donors: 0 H acceptors: 4 LogP: 3.09 Rotable bonds: 6
    Rule of 5 violations (Lipinski): 1
  • SMILES: CCOC(=O)CCn1c(=O)n(C)c2c(c1=O)n1cc(n(c1n2)c1cccc(c1)C)C
  • InChi: 1S/C21H23N5O4/c1-5-30-16(27)9-10-24-19(28)17-18(23(4)21(24)29)22-20-25(17)12-14(3)26(20)15-8-6-7-13(2)11-15/h6-8,11-12H,5,9-10H2,1-4H3
  • InChiKey: NYEGMWFDKXATRH-UHFFFAOYSA-N  

Network

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Synonyms

  • ethyl 3-[4,7-dimethyl-6-(3-methylphenyl)-1,3-dioxo-purino[7,8-a]imidazol-2-yl]propanoate
  • 3-[4,7-dimethyl-6-(3-methylphenyl)-1,3-dioxo-2-purino[7,8-a]imidazolyl]propanoic acid ethyl ester
  • 3-[1,3-diketo-4,7-dimethyl-6-(3-methylphenyl)purino[7,8-a]imidazol-2-yl]propionic acid ethyl ester

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 Basic leucine zipper bZIP transcription 0.0038 0.3228 0.3584
Echinococcus multilocularis chromobox protein 1 0.0073 0.9006 1
Brugia malayi Heterochromatin protein 1 0.0073 0.9006 0.8877
Mycobacterium ulcerans acyl-CoA synthetase 0.0025 0.1149 1
Mycobacterium ulcerans acyl-CoA synthetase 0.0025 0.1149 1
Entamoeba histolytica hypothetical protein 0.0038 0.3228 1
Echinococcus granulosus zinc finger protein 0.0021 0.0435 0.0483
Loa Loa (eye worm) hypothetical protein 0.0019 0.0114 0.0123
Loa Loa (eye worm) hypothetical protein 0.0019 0.0114 0.0123
Mycobacterium ulcerans fatty-acid-CoA ligase 0.0025 0.1149 1
Echinococcus granulosus fetal alzheimer antigen falz 0.0024 0.0947 0.1052
Loa Loa (eye worm) hypothetical protein 0.0019 0.0114 0.0123
Echinococcus multilocularis zinc finger protein 0.0021 0.0435 0.0483
Leishmania major 4-coumarate:coa ligase-like protein 0.0025 0.1149 0.5
Schistosoma mansoni transcription factor LCR-F1 0.0038 0.3228 0.3584
Schistosoma mansoni chromobox protein 0.0073 0.9006 1
Loa Loa (eye worm) PHD-finger family protein 0.0022 0.0618 0.0667
Trichomonas vaginalis conserved hypothetical protein 0.0041 0.3755 0.2714
Entamoeba histolytica hypothetical protein 0.0038 0.3228 1
Onchocerca volvulus 0.0032 0.2308 0.3722
Loa Loa (eye worm) hypothetical protein 0.0025 0.1149 0.124
Schistosoma mansoni hypothetical protein 0.0038 0.3228 0.3584
Loa Loa (eye worm) hypothetical protein 0.0043 0.4087 0.4413
Mycobacterium tuberculosis Probable fatty-acid-CoA ligase FadD2 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase) 0.0025 0.1149 1
Loa Loa (eye worm) hypothetical protein 0.0074 0.9262 1
Echinococcus granulosus bromodomain adjacent to zinc finger domain 0.0038 0.3258 0.3617
Brugia malayi PHD-finger family protein 0.0026 0.1356 0.0234
Mycobacterium ulcerans long-chain-fatty-acid-CoA ligase 0.0025 0.1149 1
Leishmania major 4-coumarate:coa ligase-like protein 0.0025 0.1149 0.5
Mycobacterium leprae PROBABLE FATTY-ACID-CoA LIGASE FADD7 (FATTY-ACID-CoA SYNTHETASE) (FATTY-ACID-CoA SYNTHASE) 0.0025 0.1149 0.5
Mycobacterium ulcerans long-chain fatty-acid CoA ligase 0.0025 0.1149 1
Echinococcus granulosus chromobox protein 1 0.0073 0.9006 1
Loa Loa (eye worm) bromodomain containing protein 0.0019 0.0106 0.0114
Echinococcus granulosus bromodomain adjacent to zinc finger domain 0.0063 0.736 0.8172
Leishmania major 4-coumarate:coa ligase-like protein 0.0025 0.1149 0.5
Schistosoma mansoni chromobox protein 0.0073 0.9006 1
Brugia malayi hypothetical protein 0.0038 0.3228 0.2349
Trichomonas vaginalis chromobox protein, putative 0.0073 0.9006 1
Trichomonas vaginalis conserved hypothetical protein 0.0041 0.3755 0.2714
Loa Loa (eye worm) heterochromatin protein 1 0.0073 0.9006 0.9724
Plasmodium falciparum acyl-CoA synthetase 0.0019 0.0114 0.5
Loa Loa (eye worm) hypothetical protein 0.004 0.3679 0.3972
Mycobacterium leprae PROBABLE FATTY-ACID-CoA LIGASE FADD2 (FATTY-ACID-CoA SYNTHETASE) (FATTY-ACID-CoA SYNTHASE) 0.0025 0.1149 0.5
Onchocerca volvulus Heterochromatin protein 1 homolog 0.0041 0.3755 0.8367
Entamoeba histolytica hypothetical protein 0.0038 0.3228 1
Trichomonas vaginalis chromobox protein, putative 0.0044 0.4264 0.3419
Loa Loa (eye worm) hypothetical protein 0.0045 0.4417 0.4769
Mycobacterium ulcerans acyl-CoA synthetase 0.0025 0.1149 1
Schistosoma mansoni zinc finger protein 0.0021 0.0435 0.0483
Echinococcus multilocularis Basic leucine zipper (bZIP) transcription 0.0038 0.3228 0.3584
Loa Loa (eye worm) hypothetical protein 0.0025 0.1149 0.124
Schistosoma mansoni hypothetical protein 0.0022 0.0618 0.0686
Echinococcus multilocularis fetal alzheimer antigen, falz 0.0024 0.0947 0.1052
Mycobacterium ulcerans hypothetical protein 0.0025 0.1149 1
Brugia malayi chromobox protein homolog 3 0.0041 0.3755 0.2945
Brugia malayi Bromodomain containing protein 0.004 0.3667 0.2845
Echinococcus multilocularis bromodomain adjacent to zinc finger domain 0.0038 0.3258 0.3617
Trichomonas vaginalis chromobox protein, putative 0.0073 0.9006 1
Onchocerca volvulus Heterochromatin protein 1 homolog 0.0044 0.4264 1
Loa Loa (eye worm) hypothetical protein 0.0025 0.1149 0.124
Schistosoma mansoni bromodomain containing protein 0.0067 0.7978 0.8858
Entamoeba histolytica hypothetical protein 0.0038 0.3228 1
Chlamydia trachomatis acylglycerophosphoethanolamine acyltransferase 0.0019 0.0114 0.5
Loa Loa (eye worm) hypothetical protein 0.0019 0.0114 0.0123
Echinococcus multilocularis chromobox protein 1 0.0073 0.9006 1
Echinococcus granulosus chromobox protein 1 0.0073 0.9006 1
Plasmodium vivax acyl-CoA synthetase, putative 0.0019 0.0114 0.5
Loa Loa (eye worm) hypothetical protein 0.0019 0.0114 0.0123
Mycobacterium tuberculosis Probable chain -fatty-acid-CoA ligase FadD13 (fatty-acyl-CoA synthetase) 0.0025 0.1149 1
Loa Loa (eye worm) hypothetical protein 0.0032 0.2308 0.2492
Schistosoma mansoni acetyl-CoA C-acetyltransferase 0.0024 0.0947 0.1052
Trichomonas vaginalis chromobox protein, putative 0.0044 0.4264 0.3419
Echinococcus multilocularis bromodomain adjacent to zinc finger domain 0.0063 0.736 0.8172
Mycobacterium ulcerans long-chain-fatty-acid--CoA ligase 0.0025 0.1149 1
Loa Loa (eye worm) hypothetical protein 0.0041 0.3755 0.4055

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.
 
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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