Detailed information for compound 666540

Basic information

Technical information
  • TDR Targets ID: 666540
  • Name: 5-[(3-prop-2-ynoxyphenyl)methylidene]-1,3-dia zinane-2,4,6-trione
  • MW: 270.24 | Formula: C14H10N2O4
  • H donors: 2 H acceptors: 3 LogP: 1.05 Rotable bonds: 3
    Rule of 5 violations (Lipinski): 1
  • SMILES: C#CCOc1cccc(c1)C=C1C(=O)NC(=O)NC1=O
  • InChi: 1S/C14H10N2O4/c1-2-6-20-10-5-3-4-9(7-10)8-11-12(17)15-14(19)16-13(11)18/h1,3-5,7-8H,6H2,(H2,15,16,17,18,19)
  • InChiKey: BZZHWQUNGVUTNX-UHFFFAOYSA-N  

Network

Hover on a compound node to display the structore

Synonyms

  • 5-[(3-prop-2-ynoxyphenyl)methylene]hexahydropyrimidine-2,4,6-trione
  • 5-(3-propargyloxybenzylidene)barbituric acid
  • ZINC02993174

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
Onchocerca volvulus 0.0048 0.0692 0.0042
Mycobacterium leprae PROBABLE FATTY ACID SYNTHASE FAS (FATTY ACID SYNTHETASE) 0.0057 0.0975 0.1198
Giardia lamblia Methyltransferase like 2 0.0054 0.0901 0.5
Wolbachia endosymbiont of Brugia malayi 3-oxoacyl-ACP synthase 0.0045 0.0615 0.5
Mycobacterium ulcerans phenolpthiocerol synthesis type-I polyketide synthase PpsD 0.0181 0.4889 0.63
Mycobacterium tuberculosis Probable polyketide synthase Pks15 0.0073 0.149 0.1871
Mycobacterium tuberculosis Probable polyketide synthase Pks8 0.0148 0.3849 0.4954
Brugia malayi hypothetical protein 0.0228 0.6402 0.6372
Mycobacterium tuberculosis Polyketide synthase Pks2 0.0175 0.4714 0.6084
Entamoeba histolytica acyl-CoA synthetase, putative 0.0041 0.0482 1
Mycobacterium leprae Probable polyketide synthase Pks1 0.0192 0.5244 0.6776
Mycobacterium ulcerans Type I modular polyketide synthase 0.0181 0.4889 0.63
Mycobacterium ulcerans thioesterase TesA 0.015 0.3938 0.5053
Mycobacterium tuberculosis Probable polyketide synthase Pks9 0.0103 0.2427 0.3095
Mycobacterium tuberculosis Probable polyketide synthase Pks7 0.0192 0.5244 0.6776
Mycobacterium tuberculosis Phenolpthiocerol synthesis type-I polyketide synthase PpsC 0.0181 0.4889 0.6312
Echinococcus granulosus survival motor neuron protein 1 0.0228 0.6402 0.6641
Mycobacterium ulcerans phenolpthiocerol synthesis type-I polyketide synthase PpsA 0.0145 0.3774 0.4839
Mycobacterium leprae Probable multifunctional mycocerosic acid synthase membrane associated enzyme Mas 0.0192 0.5244 0.6776
Mycobacterium ulcerans thioesterase 0.015 0.3938 0.5053
Mycobacterium ulcerans polyketide synthase 0.0181 0.4889 0.63
Schistosoma mansoni methyltransferase-related 0.0054 0.0901 1
Trypanosoma brucei beta-ketoacyl-ACP synthase 0.0045 0.0615 1
Mycobacterium tuberculosis Probable fatty acid synthase Fas (fatty acid synthetase) 0.0057 0.0975 0.1198
Echinococcus multilocularis tumor protein p63 0.0326 0.9498 1
Echinococcus granulosus tumor protein p63 0.0326 0.9498 1
Mycobacterium tuberculosis Phenolpthiocerol synthesis type-I polyketide synthase PpsD 0.0181 0.4889 0.6312
Loa Loa (eye worm) beta-ketoacyl synthase domain-containing protein 0.0045 0.0615 0.0637
Mycobacterium tuberculosis Polyketide synthase Pks13 0.027 0.7712 1
Chlamydia trachomatis 3-oxoacyl-ACP synthase 0.0045 0.0615 0.5
Toxoplasma gondii type I fatty acid synthase, putative 0.0193 0.5274 1
Mycobacterium leprae PHENOLPTHIOCEROL SYNTHESIS TYPE-I POLYKETIDE SYNTHASE PPSB 0.0145 0.3774 0.4856
Onchocerca volvulus 0.0321 0.9329 0.9839
Brugia malayi hypothetical protein 0.0035 0.028 0.0199
Mycobacterium ulcerans fatty acid synthase Fas 0.0057 0.0975 0.1169
Brugia malayi Methyltransferase-like protein 4 0.0054 0.0901 0.0825
Brugia malayi AMP-binding enzyme family protein 0.0175 0.4727 0.4683
Mycobacterium tuberculosis Polyketide synthetase MbtD (polyketide synthase) 0.0056 0.0937 0.1149
Onchocerca volvulus Fatty acid synthase homolog 0.0326 0.9471 1
Loa Loa (eye worm) hypothetical protein 0.0048 0.0692 0.0726
Schistosoma mansoni survival motor neuron protein 0.0047 0.0655 0.6026
Loa Loa (eye worm) hypothetical protein 0.0304 0.88 1
Mycobacterium ulcerans phenolpthiocerol synthesis type-I polyketide synthase PpsC 0.0192 0.5244 0.6765
Mycobacterium ulcerans polyketide synthase MbtC 0.0045 0.0615 0.0697
Mycobacterium leprae PHENOLPTHIOCEROL SYNTHESIS TYPE-I POLYKETIDE SYNTHASE PPSD 0.0181 0.4889 0.6312
Brugia malayi Iron-sulfur cluster assembly accessory protein 0.0047 0.0655 0.0577
Trypanosoma cruzi beta-ketoacyl synthase family protein, putative 0.0045 0.0615 1
Trichomonas vaginalis conserved hypothetical protein 0.0054 0.0901 0.5
Loa Loa (eye worm) cytochrome P450 family protein 0.0029 0.0083 0.0029
Mycobacterium tuberculosis Phenolpthiocerol synthesis type-I polyketide synthase PpsA 0.0181 0.4889 0.6312
Plasmodium vivax 3-oxoacyl-[acyl-carrier-protein] synthase i/ii, putative 0.0045 0.0615 1
Trypanosoma cruzi beta-ketoacyl synthase family protein, putative 0.0045 0.0615 1
Loa Loa (eye worm) hypothetical protein 0.0101 0.238 0.2656
Echinococcus multilocularis survival motor neuron protein 1 0.0228 0.6402 0.6641
Leishmania major beta-ketoacyl synthase family protein, putative,3-oxoacyl-acyl carrier protein synthase ii, putative 0.0045 0.0615 0.6497
Schistosoma mansoni hypothetical protein 0.0047 0.0655 0.6026
Mycobacterium leprae PHENOLPTHIOCEROL SYNTHESIS TYPE-I POLYKETIDE SYNTHASE PPSE 0.0119 0.2956 0.3787
Mycobacterium tuberculosis Conserved protein 0.0054 0.0901 0.1102
Onchocerca volvulus 0.0175 0.4727 0.4619
Mycobacterium ulcerans polyketide synthase Pks9 0.0119 0.2956 0.3766
Mycobacterium tuberculosis Probable thioesterase TesA 0.015 0.3938 0.5069
Loa Loa (eye worm) acyl carrier protein 0.0083 0.1806 0.2001
Brugia malayi AMP-binding enzyme family protein 0.0056 0.0966 0.0891
Toxoplasma gondii beta-ketoacyl synthase, N-terminal domain-containing protein 0.0117 0.2884 0.542
Loa Loa (eye worm) cytochrome P450 family protein 0.0029 0.0083 0.0029
Schistosoma mansoni 3-oxoacyl-[ACP] synthase 0.0045 0.0615 0.5381
Loa Loa (eye worm) fatty acid synthase 0.0178 0.4813 0.544
Brugia malayi Cytochrome P450 family protein 0.006 0.1084 0.1009
Mycobacterium leprae Polyketide synthase Pks13 0.027 0.7712 1
Mycobacterium ulcerans Type I modular polyketide synthase 0.0181 0.4889 0.63
Mycobacterium ulcerans Type I modular polyketide synthase 0.0181 0.4889 0.63
Schistosoma mansoni cellular tumor antigen P53 0.0048 0.0692 0.6628
Echinococcus granulosus 3 oxoacyl acyl carrier protein synthase 0.0045 0.0615 0.0362
Loa Loa (eye worm) hypothetical protein 0.0228 0.6402 0.7257
Toxoplasma gondii type I fatty acid synthase, putative 0.0129 0.3245 0.6111
Mycobacterium tuberculosis Probable polyketide synthase Pks1 0.013 0.3282 0.4212
Mycobacterium leprae PHENOLPTHIOCEROL SYNTHESIS TYPE-I POLYKETIDE SYNTHASE PPSA 0.0181 0.4889 0.6312
Echinococcus multilocularis 3 oxoacyl (acyl carrier protein) synthase 0.0045 0.0615 0.0362
Mycobacterium ulcerans phenolpthiocerol synthesis type-I polyketide synthase PpsE 0.0119 0.2956 0.3766
Mycobacterium ulcerans polyketide synthase Pks13 0.027 0.7712 1
Toxoplasma gondii 3-oxoacyl-acyl-carrier protein synthase I/II, putative 0.0045 0.0615 0.1068
Mycobacterium ulcerans 3-oxoacyl-(acyl carrier protein) synthase II 0.0045 0.0615 0.0697
Mycobacterium tuberculosis Polyketide synthetase MbtC (polyketide synthase) 0.0062 0.1144 0.1419
Mycobacterium ulcerans multifunctional mycocerosic acid synthase membrane-associated Mas 0.0192 0.5244 0.6765
Mycobacterium leprae PHENOLPTHIOCEROL SYNTHESIS TYPE-I POLYKETIDE SYNTHASE PPSC 0.0192 0.5244 0.6776
Brugia malayi Beta-ketoacyl synthase, N-terminal domain containing protein 0.0181 0.4889 0.4847
Loa Loa (eye worm) cytochrome P450 family protein 0.006 0.1084 0.1174
Plasmodium falciparum 3-oxoacyl-acyl-carrier protein synthase I/II 0.0045 0.0615 1
Mycobacterium ulcerans phenolpthiocerol synthesis type-I polyketide synthase PpsB 0.0145 0.3774 0.4839
Mycobacterium tuberculosis Polyketide synthase Pks12 0.0192 0.5244 0.6776
Mycobacterium tuberculosis Probable multifunctional mycocerosic acid synthase membrane-associated Mas 0.0192 0.5244 0.6776
Loa Loa (eye worm) AMP-binding enzyme family protein 0.0175 0.4727 0.5341
Toxoplasma gondii AMP-binding enzyme domain-containing protein 0.0092 0.2096 0.3908
Brugia malayi Beta-ketoacyl synthase, N-terminal domain containing protein 0.0045 0.0615 0.0536
Mycobacterium ulcerans polyketide synthase MbtD 0.0056 0.0937 0.1119
Mycobacterium ulcerans 3-oxoacyl-(acyl carrier protein) synthase II 0.0045 0.0615 0.0697
Mycobacterium tuberculosis Probable polyketide synthase Pks5 0.0175 0.4714 0.6084
Mycobacterium ulcerans polyketide synthase 0.0192 0.5244 0.6765
Mycobacterium tuberculosis Probable polyketide synthase Pks17 0.0044 0.0576 0.0678
Leishmania major hypothetical protein, conserved 0.0054 0.0901 1
Loa Loa (eye worm) CYP4Cod1 0.0029 0.0083 0.0029
Mycobacterium tuberculosis Probable membrane bound polyketide synthase Pks6 0.027 0.7712 1
Mycobacterium tuberculosis Phenyloxazoline synthase MbtB (phenyloxazoline synthetase) 0.0175 0.4727 0.61
Mycobacterium leprae PROBABLE THIOESTERASE TESA 0.015 0.3938 0.5069
Mycobacterium tuberculosis Hypothetical protein 0.0054 0.0901 0.1102

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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