Detailed information for compound 910966

Basic information

Technical information
  • TDR Targets ID: 910966
  • Name: cycloheptyl 4-(4-dimethylaminophenyl)-6-methy l-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxyla te
  • MW: 371.473 | Formula: C21H29N3O3
  • H donors: 2 H acceptors: 2 LogP: 3.49 Rotable bonds: 5
    Rule of 5 violations (Lipinski): 1
  • SMILES: CN(c1ccc(cc1)C1NC(=O)NC(=C1C(=O)OC1CCCCCC1)C)C
  • InChi: 1S/C21H29N3O3/c1-14-18(20(25)27-17-8-6-4-5-7-9-17)19(23-21(26)22-14)15-10-12-16(13-11-15)24(2)3/h10-13,17,19H,4-9H2,1-3H3,(H2,22,23,26)
  • InChiKey: AOVMIKOXHYKNHB-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

  • 4-(4-dimethylaminophenyl)-6-methyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylic acid cycloheptyl ester
  • 4-(4-dimethylaminophenyl)-2-keto-6-methyl-3,4-dihydro-1H-pyrimidine-5-carboxylic acid cycloheptyl ester
  • BAS 00381173
  • Oprea1_644471
  • Oprea1_806618

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 0.0109 0.1836 0.1836
Treponema pallidum isoleucyl-tRNA synthetase 0.0034 0.042 0.4409
Schistosoma mansoni elongation of fatty acids protein 1 0.0109 0.1836 1
Leishmania major leucyl-tRNA synthetase, putative 0.0022 0.0188 0.0188
Loa Loa (eye worm) ELO-9 protein 0.0109 0.1836 0.1836
Plasmodium vivax long chain polyunsaturated fatty acid elongation enzyme, putative 0.0109 0.1836 0.1836
Mycobacterium tuberculosis Isoleucyl-tRNA synthetase IleS 0.0022 0.0189 0.0223
Trypanosoma cruzi fatty acid elongase, putative 0.0109 0.1836 0.1836
Trypanosoma brucei elongation of very long chain fatty acids protein, putative 0.0109 0.1836 0.1836
Echinococcus multilocularis isoleucyl tRNA synthetase, cytoplasmic 0.0034 0.042 0.2287
Echinococcus granulosus elongation of very long chain fatty acids 0.0109 0.1836 1
Chlamydia trachomatis methionine--tRNA ligase 0.007 0.109 1
Onchocerca volvulus Elongation of very long chain fatty acids protein homolog 0.0109 0.1836 1
Onchocerca volvulus 0.0027 0.0281 0.1533
Brugia malayi methionyl-tRNA synthetase 0.0062 0.0952 0.0952
Schistosoma mansoni isoleucine--tRNA ligase 0.0034 0.042 0.2287
Toxoplasma gondii integral membrane protein, GNS1/SUR4 family protein, putative 0.0539 1 1
Plasmodium falciparum isoleucine--tRNA ligase, putative 0.0034 0.042 0.042
Plasmodium vivax elongation of very long chain fatty acids protein 3, putative 0.0109 0.1836 0.1836
Mycobacterium ulcerans bifunctional enzyme MbtA: salicyl-AMP ligase (SAL-AMP ligase) + salicyl-S-ACP synthetase 0.046 0.8498 1
Mycobacterium tuberculosis Bifunctional enzyme MbtA: salicyl-AMP ligase (SAL-AMP ligase) + salicyl-S-ArCP synthetase 0.046 0.8498 1
Echinococcus multilocularis leucyl tRNA synthetase 0.0022 0.0188 0.1026
Plasmodium vivax hypothetical protein, conserved 0.0022 0.0188 0.0188
Brugia malayi GNS1/SUR4 family protein 0.0109 0.1836 0.1836
Brugia malayi fatty acid elongation protein 3 0.0109 0.1836 0.1836
Trypanosoma cruzi isoleucyl-tRNA synthetase, putative 0.0034 0.042 0.042
Brugia malayi isoleucyl-tRNA synthetase 0.0034 0.042 0.042
Echinococcus granulosus elongation of very long chain fatty acids 0.0109 0.1836 1
Echinococcus multilocularis isoleucyl tRNA synthetase, mitochondrial 0.0027 0.0281 0.1533
Treponema pallidum leucyl-tRNA synthetase 0.0017 0.0096 0.101
Trypanosoma brucei Fatty acid elongase 0.0109 0.1836 0.1836
Leishmania major isoleucyl-tRNA synthetase, putative 0.0034 0.042 0.042
Toxoplasma gondii isoleucyl-tRNA synthetase family protein 0.0034 0.042 0.042
Onchocerca volvulus Elongation of very long chain fatty acids protein homolog 0.0109 0.1836 1
Loa Loa (eye worm) multisynthetase complex auxiliary component p43 0.0052 0.0764 0.0764
Onchocerca volvulus Elongation of very long chain fatty acids protein 5 homolog 0.0109 0.1836 1
Loa Loa (eye worm) GNS1/SUR4 family protein 0.0539 1 1
Brugia malayi fatty acid elongation protein 3 0.0109 0.1836 0.1836
Giardia lamblia Leucyl-tRNA synthetase 0.0015 0.005 0.1188
Trypanosoma brucei Fatty acid elongase 0.0539 1 1
Schistosoma mansoni elongation of fatty acids protein 1 0.0109 0.1836 1
Giardia lamblia Isoleucyl-tRNA synthetase 0.0034 0.042 1
Leishmania major fatty acid elongase, putative 0.0109 0.1836 0.1836
Loa Loa (eye worm) hypothetical protein 0.0027 0.0281 0.0281
Leishmania major fatty acid elongase, putative 0.0539 1 1
Leishmania major fatty acid elongase, putative 0.0109 0.1836 0.1836
Leishmania major fatty acid elongase, putative 0.0109 0.1836 0.1836
Loa Loa (eye worm) fatty acid elongation protein 3 0.0109 0.1836 0.1836
Echinococcus multilocularis methionyl tRNA synthetase, cytoplasmic 0.007 0.109 0.594
Leishmania major fatty acid elongase, putative 0.0109 0.1836 0.1836
Echinococcus granulosus isoleucyl trna synthetase mitochondrial 0.0027 0.0281 0.1533
Leishmania major fatty acid elongase, putative 0.0109 0.1836 0.1836
Plasmodium vivax GNS1/SUR4 domain containing protein 0.0539 1 1
Loa Loa (eye worm) glycyl-tRNA synthetase 0.0048 0.0688 0.0688
Echinococcus granulosus glycyl tRNA synthetase 0.0048 0.0688 0.3748
Loa Loa (eye worm) bifunctional aminoacyl-tRNA synthetase 0.0048 0.0688 0.0688
Trypanosoma cruzi fatty acid elongase, putative 0.0109 0.1836 0.1836
Leishmania major fatty acid elongase, putative 0.0109 0.1836 0.1836
Plasmodium vivax isoleucine--tRNA ligase, putative 0.0034 0.042 0.042
Leishmania major fatty acid elongase, putative 0.0109 0.1836 0.1836
Echinococcus granulosus isoleucyl tRNA synthetase, cytoplasmic 0.0034 0.042 0.2287
Loa Loa (eye worm) GNS1/SUR4 family protein 0.0109 0.1836 0.1836
Trypanosoma brucei Fatty acid elongase 0.0109 0.1836 0.1836
Wolbachia endosymbiont of Brugia malayi leucyl-tRNA synthetase 0.0022 0.0188 0.4486
Leishmania major fatty acid elongase, putative 0.0109 0.1836 0.1836
Brugia malayi glycyl-tRNA synthetase 0.0048 0.0688 0.0688
Schistosoma mansoni elongation of fatty acids protein 1 0.0109 0.1836 1
Entamoeba histolytica isoleucyl-tRNA synthetase, putative 0.0034 0.042 0.4409
Trypanosoma cruzi fatty acid elongase, putative 0.0539 1 1
Brugia malayi Hypothetical 34.1 kDa protein C40H1.4 in chromosome III 0.0109 0.1836 0.1836
Loa Loa (eye worm) hypothetical protein 0.0034 0.042 0.042
Chlamydia trachomatis leucine--tRNA ligase 0.0017 0.0096 0.0882
Echinococcus multilocularis glycyl tRNA synthetase 0.0048 0.0688 0.3748
Treponema pallidum methionyl-tRNA synthetase 0.0062 0.0952 1
Trypanosoma cruzi fatty acid elongase, putative 0.0539 1 1
Wolbachia endosymbiont of Brugia malayi isoleucyl-tRNA synthetase 0.0034 0.042 1
Schistosoma mansoni methionine-tRNA synthetase 0.007 0.109 0.594
Mycobacterium ulcerans leucyl-tRNA synthetase 0.0017 0.0096 0.0113
Mycobacterium leprae isoleucyl-tRNA synthetase IleS 0.0034 0.042 1
Onchocerca volvulus 0.0109 0.1836 1
Leishmania major fatty acid elongase, putative 0.0539 1 1
Leishmania major fatty acid elongase, putative 0.0109 0.1836 0.1836
Schistosoma mansoni glycyl-tRNA synthetase 0.0048 0.0688 0.3748
Loa Loa (eye worm) hypothetical protein 0.0015 0.005 0.005
Mycobacterium ulcerans isoleucyl-tRNA synthetase 0.0034 0.042 0.0494
Brugia malayi GNS1/SUR4 family protein 0.0539 1 1
Echinococcus multilocularis elongation of very long chain fatty acids 0.0109 0.1836 1
Echinococcus granulosus methionyl tRNA synthetase cytoplasmic 0.007 0.109 0.594
Schistosoma mansoni leucyl-tRNA synthetase 0.0022 0.0188 0.1026
Loa Loa (eye worm) fatty acid elongation protein 3 0.0109 0.1836 0.1836
Trypanosoma brucei Long chain fatty acyl elongase 0.0109 0.1836 0.1836
Chlamydia trachomatis isoleucine--tRNA ligase 0.0034 0.042 0.385
Toxoplasma gondii GNS1/SUR4 family protein 0.0539 1 1
Trypanosoma cruzi fatty acid elongase, putative 0.0109 0.1836 0.1836
Brugia malayi protein ZK524.3 0.0015 0.005 0.005
Loa Loa (eye worm) hypothetical protein 0.0062 0.0952 0.0952
Echinococcus multilocularis elongation of very long chain fatty acids 0.0109 0.1836 1
Trypanosoma cruzi fatty acid elongase, putative 0.0539 1 1
Trypanosoma cruzi fatty acid elongase, putative 0.0539 1 1
Schistosoma mansoni elongation of fatty acids protein 1 0.0109 0.1836 1
Trypanosoma cruzi fatty acid elongase, putative 0.0109 0.1836 0.1836
Brugia malayi isoleucyl-tRNA synthetase family protein 0.0034 0.042 0.042
Plasmodium falciparum long chain polyunsaturated fatty acid elongation enzyme, putative 0.0109 0.1836 0.1836
Loa Loa (eye worm) isoleucyl-tRNA synthetase 0.0034 0.042 0.042
Leishmania major fatty acid elongase, putative 0.0539 1 1
Loa Loa (eye worm) fatty acid elongation protein 3 0.0539 1 1
Toxoplasma gondii fatty acid elongase 0.0109 0.1836 0.1836
Leishmania major fatty acid elongase, putative 0.0109 0.1836 0.1836
Brugia malayi bifunctional aminoacyl-tRNA synthetase 0.0048 0.0688 0.0688
Trypanosoma cruzi fatty acid elongase, putative 0.0109 0.1836 0.1836
Entamoeba histolytica methionyl-tRNA synthetase, putative 0.0062 0.0952 1
Trypanosoma brucei isoleucyl-tRNA synthetase, putative 0.0034 0.042 0.042
Schistosoma mansoni isoleucine--tRNA ligase 0.0034 0.042 0.2287
Brugia malayi fatty acid elongation protein 3 0.0109 0.1836 0.1836
Brugia malayi fatty acid elongation protein 3 0.0109 0.1836 0.1836
Loa Loa (eye worm) hypothetical protein 0.0017 0.0096 0.0096
Onchocerca volvulus 0.0109 0.1836 1
Leishmania major long chain polyunsaturated fatty acid elongation enzyme-like protein 0.0109 0.1836 0.1836
Schistosoma mansoni fatty acid acyl transferase-related 0.0109 0.1836 1
Trypanosoma cruzi fatty acid elongase, putative 0.0109 0.1836 0.1836
Plasmodium falciparum long chain fatty acid elongation enzyme, putative 0.0539 1 1
Plasmodium falciparum fatty acid elongation protein, GNS1/SUR4 family, putative 0.0539 1 1
Loa Loa (eye worm) fatty acid elongation protein 3 0.0109 0.1836 0.1836
Trichomonas vaginalis isoleucyl tRNA synthetase, putative 0.0034 0.042 1

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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