TDR Targets

Basic information

Technical information

TDR Targets ID: 909246
Name: 5-[[5-methyl-1,2-di(phenyl)pyrrol-3-yl]methyl idene]-1,3-diazinane-2,4,6-trione
MW: 371.389 | Formula: C22H17N3O3
H donors: 2 H acceptors: 3 LogP: 3.42 Rotable bonds: 3
Rule of 5 violations (Lipinski): 1
SMILES: O=C1NC(=O)C(=Cc2cc(n(c2c2ccccc2)c2ccccc2)C)C(=O)N1
InChi: 1S/C22H17N3O3/c1-14-12-16(13-18-20(26)23-22(28)24-21(18)27)19(15-8-4-2-5-9-15)25(14)17-10-6-3-7-11-17/h2-13H,1H3,(H2,23,24,26,27,28)
InChiKey: LQDVJQWCEYWUMV-UHFFFAOYSA-N

Network

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Target Layer

Model Organisms

Species	Viewmode
Arabidopsis thaliana
Caenorhabditis elegans
Dictyostelium discoideum
Drosophila melanogaster
Escherichia coli
Homo sapiens
Mus musculus
Oryza sativa
Saccharomyces cerevisiae
Schmidtea mediterranea
Other organisms

TDR Pathogens:

Species	Viewmode
Brugia malayi
Chlamydia trachomatis
Echinococcus granulosus
Entamoeba histolytica
Echinococcus multilocularis
Giardia lamblia
Leishmania major
Loa Loa (eye worm)
Mycobacterium leprae
Mycobacterium tuberculosis
Mycobacterium ulcerans
Onchocerca volvulus
Plasmodium falciparum
Plasmodium vivax
Schistosoma mansoni
Trypanosoma brucei
Trypanosoma cruzi
Toxoplasma gondii
Treponema pallidum
Trichomonas vaginalis
Wolbachia endosymbiont of Brugia malayi

Other Pathogens:

Species	Viewmode
Babesia bovis
Candida albicans
Cryptosporidium hominis
Cryptosporidium parvum
Leishmania braziliensis
Leishmania donovani
Leishmania infantum
Leishmania mexicana
Neospora caninum
Plasmodium berghei
Plasmodium knowlesi
Plasmodium yoelii
Schistosoma japonicum
Trypanosoma brucei gambiense
Trypanosoma congolense
Theileria parva

Compound Layer

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Clustering layers

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Synonyms

5-[[5-methyl-1,2-di(phenyl)pyrrol-3-yl]methylene]hexahydropyrimidine-2,4,6-trione
5-[[5-methyl-1,2-di(phenyl)-3-pyrrolyl]methylene]hexahydropyrimidine-2,4,6-trione
5-[[5-methyl-1,2-di(phenyl)pyrrol-3-yl]methylene]barbituric acid
6204-85-9
BIM-0007491.P001
CBMicro_007494

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

Ranking Plot

Putative Targets List

Species	Potential target	Raw	Global	Species
Loa Loa (eye worm)	hypothetical protein	0.0019	0.0503	0.0764
Echinococcus granulosus	Niemann Pick C1 protein	0.0065	0.2519	0.3826
Entamoeba histolytica	acyl-coA synthetase, putative	0.0025	0.0784	1
Brugia malayi	Hydroxymethylglutaryl-coenzyme A reductase family protein	0.0158	0.6583	1
Leishmania major	hypothetical protein, conserved	0.0037	0.129	0.196
Mycobacterium tuberculosis	Probable esterase/lipase LipP	0.0037	0.129	0.129
Echinococcus granulosus	beta LACTamase domain containing family member	0.0037	0.129	0.196
Mycobacterium tuberculosis	Probable fatty-acid-CoA ligase FadD2 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase)	0.0025	0.0784	0.0784
Mycobacterium leprae	PROBABLE FATTY-ACID-CoA LIGASE FADD2 (FATTY-ACID-CoA SYNTHETASE) (FATTY-ACID-CoA SYNTHASE)	0.0025	0.0784	0.6072
Mycobacterium tuberculosis	Probable hydrolase	0.0037	0.129	0.129
Echinococcus granulosus	hydroxymethylglutaryl coenzyme A reductase	0.0158	0.6583	1
Schistosoma mansoni	patched 1	0.0065	0.2519	0.3826
Loa Loa (eye worm)	hypothetical protein	0.0037	0.129	0.196
Echinococcus multilocularis	protein dispatched 1	0.0065	0.2519	0.3826
Loa Loa (eye worm)	hypothetical protein	0.0019	0.0503	0.0764
Echinococcus multilocularis	sterol regulatory element binding protein	0.0065	0.2519	0.3826
Mycobacterium ulcerans	fatty-acid-CoA ligase	0.0019	0.0503	0.0764
Mycobacterium ulcerans	long-chain-fatty-acid--CoA ligase	0.0025	0.0784	0.119
Onchocerca volvulus		0.0037	0.129	1
Echinococcus granulosus	sterol regulatory element binding protein	0.0065	0.2519	0.3826
Mycobacterium tuberculosis	Probable conserved lipoprotein	0.0037	0.129	0.129
Loa Loa (eye worm)	hypothetical protein	0.0019	0.0503	0.0764
Brugia malayi	AMP-binding enzyme family protein	0.0025	0.0784	0.119
Onchocerca volvulus		0.0037	0.129	1
Mycobacterium ulcerans	acyl-CoA synthetase	0.0025	0.0784	0.119
Echinococcus multilocularis	beta LACTamase domain containing family member	0.0037	0.129	0.196
Chlamydia trachomatis	acylglycerophosphoethanolamine acyltransferase	0.0019	0.0503	0.5
Trichomonas vaginalis	3-hydroxy-3-methylglutaryl-coenzyme A reductase, putative	0.0074	0.2915	1
Echinococcus multilocularis	Niemann Pick C1 protein	0.0065	0.2519	0.3826
Trichomonas vaginalis	penicillin-binding protein, putative	0.0037	0.129	0.4426
Trichomonas vaginalis	esterase, putative	0.0037	0.129	0.4426
Trichomonas vaginalis	conserved hypothetical protein	0.0065	0.2519	0.8639
Mycobacterium ulcerans	hypothetical protein	0.0037	0.129	0.196
Mycobacterium tuberculosis	Probable fatty-acid-CoA ligase FadD5 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase)	0.0018	0.0458	0.0458
Mycobacterium ulcerans	acyl-CoA synthetase	0.0025	0.0784	0.119
Mycobacterium tuberculosis	Probable esterase LipL	0.0037	0.129	0.129
Loa Loa (eye worm)	hypothetical protein	0.0025	0.0784	0.119
Loa Loa (eye worm)	abnormal chemotaxis protein 14	0.0065	0.2519	0.3826
Loa Loa (eye worm)	hypothetical protein	0.0158	0.6583	1
Loa Loa (eye worm)	hypothetical protein	0.0019	0.0503	0.0764
Mycobacterium ulcerans	fatty-acid-CoA ligase	0.0025	0.0784	0.119
Brugia malayi	beta-lactamase family protein	0.0037	0.129	0.196
Mycobacterium ulcerans	beta-lactamase	0.0037	0.129	0.196
Mycobacterium tuberculosis	Conserved protein	0.0037	0.129	0.129
Mycobacterium tuberculosis	Conserved protein	0.0037	0.129	0.129
Loa Loa (eye worm)	hypothetical protein	0.0019	0.0503	0.0764
Echinococcus multilocularis	protein patched	0.0065	0.2519	0.3826
Entamoeba histolytica	acyl-CoA synthetase, putative	0.0025	0.0784	1
Entamoeba histolytica	acyl-CoA synthetase, putative	0.0025	0.0784	1
Schistosoma mansoni	hydroxymethylglutaryl-CoA reductase (NADPH)	0.0158	0.6583	1
Trypanosoma cruzi	3-hydroxy-3-methylglutaryl-CoA reductase	0.0158	0.6583	1
Mycobacterium leprae	conserved hypothetical protein	0.0037	0.129	1
Trypanosoma cruzi	3-hydroxy-3-methylglutaryl-CoA reductase, putative	0.0158	0.6583	1
Leishmania major	4-coumarate:coa ligase-like protein	0.0025	0.0784	0.119
Loa Loa (eye worm)	hypothetical protein	0.0025	0.0784	0.119
Loa Loa (eye worm)	hypothetical protein	0.0037	0.129	0.196
Mycobacterium tuberculosis	Probable fatty-acid-CoA ligase FadD7 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase)	0.0018	0.0458	0.0458
Onchocerca volvulus		0.0025	0.0784	0.6072
Brugia malayi	Hypothetical 52.5 kDa protein ZK945.1 in chromosome II, putative	0.0037	0.129	0.196
Loa Loa (eye worm)	beta-lactamase	0.0037	0.129	0.196
Trichomonas vaginalis	3-hydroxy-3-methylglutaryl-coenzyme A reductase, putative	0.0074	0.2915	1
Brugia malayi	AMP-binding enzyme family protein	0.0025	0.0784	0.119
Trichomonas vaginalis	D-aminoacylase, putative	0.0037	0.129	0.4426
Mycobacterium ulcerans	hydroxymethylglutaryl-coenzyme a (HMG-CoA) reductase	0.0158	0.6583	1
Loa Loa (eye worm)	beta-LACTamase domain containing family member	0.0037	0.129	0.196
Mycobacterium tuberculosis	Probable lipase LipD	0.0037	0.129	0.129
Leishmania major	4-coumarate:coa ligase-like protein	0.0025	0.0784	0.119
Trypanosoma cruzi	hypothetical protein, conserved	0.0037	0.129	0.196
Mycobacterium ulcerans	hypothetical protein	0.0025	0.0784	0.119
Mycobacterium tuberculosis	Fatty-acid-AMP ligase FadD30 (fatty-acid-AMP synthetase) (fatty-acid-AMP synthase)	0.0019	0.0503	0.0503
Trichomonas vaginalis	D-aminoacylase, putative	0.0037	0.129	0.4426
Mycobacterium leprae	PROBABLE FATTY-ACID-CoA LIGASE FADD7 (FATTY-ACID-CoA SYNTHETASE) (FATTY-ACID-CoA SYNTHASE)	0.0025	0.0784	0.6072
Mycobacterium tuberculosis	Probable fatty-acid-CoA ligase FadD35 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase)	0.0018	0.0458	0.0458
Mycobacterium ulcerans	long-chain-fatty-acid-CoA ligase	0.0025	0.0784	0.119
Loa Loa (eye worm)	hypothetical protein	0.0037	0.129	0.196
Trichomonas vaginalis	3-hydroxy-3-methylglutaryl-coenzyme A reductase, putative	0.0074	0.2915	1
Schistosoma mansoni	niemann-pick C1 (NPC1)	0.0065	0.2519	0.3826
Plasmodium vivax	acyl-CoA synthetase, putative	0.0019	0.0503	0.3899
Brugia malayi	beta-lactamase	0.0037	0.129	0.196
Mycobacterium ulcerans	long-chain fatty-acid CoA ligase	0.0025	0.0784	0.119
Loa Loa (eye worm)	hypothetical protein	0.0037	0.129	0.196
Mycobacterium ulcerans	lipase LipD	0.0037	0.129	0.196
Mycobacterium tuberculosis	Probable fatty-acid-CoA ligase FadD3 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase)	0.0018	0.0458	0.0458
Giardia lamblia	3-hydroxy-3-methylglutaryl-coenzyme A reductase	0.0074	0.2915	0.5
Mycobacterium leprae	Probable lipase LipE	0.0037	0.129	1
Loa Loa (eye worm)	hypothetical protein	0.0037	0.129	0.196
Brugia malayi	AMP-binding enzyme family protein	0.0025	0.0784	0.119
Mycobacterium ulcerans	acyl-CoA synthetase	0.0025	0.0784	0.119
Trichomonas vaginalis	penicillin-binding protein, putative	0.0037	0.129	0.4426
Brugia malayi	beta-lactamase family protein	0.0037	0.129	0.196
Trypanosoma cruzi	hypothetical protein, conserved	0.0037	0.129	0.196
Mycobacterium ulcerans	esterase/lipase LipP	0.0037	0.129	0.196
Mycobacterium tuberculosis	Conserved protein	0.0037	0.129	0.129
Loa Loa (eye worm)	hypothetical protein	0.0037	0.129	0.196
Echinococcus multilocularis	hydroxymethylglutaryl coenzyme A reductase	0.0158	0.6583	1
Loa Loa (eye worm)	hypothetical protein	0.0065	0.2519	0.3826
Mycobacterium ulcerans	fusion of enoyl-CoA hydratase, EchA21 and lipase, LipE	0.0037	0.129	0.196
Mycobacterium tuberculosis	Possible conserved lipoprotein LpqK	0.0037	0.129	0.129
Schistosoma mansoni	family S12 unassigned peptidase (S12 family)	0.0037	0.129	0.196
Schistosoma mansoni	family S12 unassigned peptidase (S12 family)	0.0037	0.129	0.196
Toxoplasma gondii	ABC1 family protein	0.0037	0.129	1
Brugia malayi	CHE-14 protein	0.0065	0.2519	0.3826
Leishmania major	3-hydroxy-3-methylglutaryl-CoA reductase	0.0158	0.6583	1
Trypanosoma brucei	hypothetical protein, conserved	0.0037	0.129	0.196
Loa Loa (eye worm)	hypothetical protein	0.0025	0.0784	0.119
Trypanosoma brucei	3-hydroxy-3-methylglutaryl-CoA reductase, putative	0.0158	0.6583	1
Mycobacterium tuberculosis	Probable lipase LipE	0.0037	0.129	0.129
Plasmodium falciparum	acyl-CoA synthetase	0.0019	0.0503	1
Onchocerca volvulus		0.0037	0.129	1
Leishmania major	4-coumarate:coa ligase-like protein	0.0025	0.0784	0.119
Echinococcus granulosus	Protein patched homolog 1	0.0065	0.2519	0.3826
Mycobacterium tuberculosis	Probable chain -fatty-acid-CoA ligase FadD13 (fatty-acyl-CoA synthetase)	0.0025	0.0784	0.0784
Trichomonas vaginalis	D-aminoacylase, putative	0.0037	0.129	0.4426
Plasmodium vivax	hypothetical protein, conserved	0.0037	0.129	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

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Bibliographic References

No literature references available for this target.

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Detailed information for compound 909246