TDR Targets

Basic information

Technical information

TDR Targets ID: 822132
Name: 1-[4,6-bis(dimethylamino)-1,3,5-triazin-2-yl] -2-imino-3-phenylimidazolidin-4-one
MW: 340.383 | Formula: C16H20N8O
H donors: 0 H acceptors: 4 LogP: 1.82 Rotable bonds: 4
Rule of 5 violations (Lipinski): 1
SMILES: CN(c1nc(nc(n1)N(C)C)N1CC(=O)N(C1=N)c1ccccc1)C
InChi: 1S/C16H20N8O/c1-21(2)14-18-15(22(3)4)20-16(19-14)23-10-12(25)24(13(23)17)11-8-6-5-7-9-11/h5-9,17H,10H2,1-4H3
InChiKey: GNZMXKCHEUKJSZ-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

1-[4,6-bis(dimethylamino)-1,3,5-triazin-2-yl]-2-imino-3-phenyl-imidazolidin-4-one
1-[4,6-bis(dimethylamino)-1,3,5-triazin-2-yl]-2-imino-3-phenyl-4-imidazolidinone
1-[4,6-bis(dimethylamino)-s-triazin-2-yl]-2-imino-3-phenyl-imidazolidin-4-one
BIM-0016025.P001
BAS 00216381
AG-664/33726005
ZINC00340991
MLS000709340
SMR000290007
STOCK1S-10420
ChemDiv1_010458
CBMicro_016099

Targets

Known targets for this compound

Species	Target name	Source	Bibliographic reference
Homo sapiens	aldehyde dehydrogenase 1 family, member A1	Starlite/ChEMBL	No references
Homo sapiens	euchromatic histone-lysine N-methyltransferase 2	Starlite/ChEMBL	No references
Homo sapiens	nuclear factor, erythroid 2-like 2	Starlite/ChEMBL	No references

Predicted pathogen targets for this compound

By orthology

Species	Potential target	Known druggable target/s	Ortholog Group
Echinococcus granulosus	aldehyde dehydrogenase mitochondrial	Get druggable targets OG5_126638	All targets in OG5_126638
Leishmania donovani	aldehyde dehydrogenase, mitochondrial precursor	Get druggable targets OG5_126638	All targets in OG5_126638
Mycobacterium ulcerans	aldehyde dehydrogenase	Get druggable targets OG5_126638	All targets in OG5_126638
Schistosoma japonicum	Aldehyde dehydrogenase, mitochondrial precursor, putative	Get druggable targets OG5_126638	All targets in OG5_126638
Brugia malayi	Pre-SET motif family protein	Get druggable targets OG5_131470	All targets in OG5_131470
Schistosoma japonicum	Retinal dehydrogenase 1, putative	Get druggable targets OG5_126638	All targets in OG5_126638
Mycobacterium tuberculosis	Probable aldehyde dehydrogenase	Get druggable targets OG5_126638	All targets in OG5_126638
Candida albicans	aldehyde dehydrogenase	Get druggable targets OG5_126638	All targets in OG5_126638
Leishmania infantum	aldehyde dehydrogenase, mitochondrial precursor	Get druggable targets OG5_126638	All targets in OG5_126638
Toxoplasma gondii	aldehyde dehydrogenase	Get druggable targets OG5_126638	All targets in OG5_126638
Mycobacterium ulcerans	aldehyde dehydrogenase	Get druggable targets OG5_126638	All targets in OG5_126638
Loa Loa (eye worm)	pre-SET domain-containing protein family protein	Get druggable targets OG5_131470	All targets in OG5_131470
Mycobacterium ulcerans	aldehyde dehydrogenase	Get druggable targets OG5_126638	All targets in OG5_126638
Candida albicans	Mitochondrial aldehyde dehydrogenase	Get druggable targets OG5_126638	All targets in OG5_126638
Schistosoma mansoni	aldehyde dehydrogenase	Get druggable targets OG5_126638	All targets in OG5_126638
Echinococcus multilocularis	aldehyde dehydrogenase, mitochondrial	Get druggable targets OG5_126638	All targets in OG5_126638
Trichomonas vaginalis	set domain proteins, putative	Get druggable targets OG5_131470	All targets in OG5_131470
Leishmania mexicana	aldehyde dehydrogenase, mitochondrial precursor	Get druggable targets OG5_126638	All targets in OG5_126638
Candida albicans	aldehyde dehydrogenase	Get druggable targets OG5_126638	All targets in OG5_126638
Leishmania braziliensis	aldehyde dehydrogenase, mitochondrial precursor	Get druggable targets OG5_126638	All targets in OG5_126638
Candida albicans	Mitochondrial aldehyde dehydrogenase	Get druggable targets OG5_126638	All targets in OG5_126638
Neospora caninum	hypothetical protein	Get druggable targets OG5_126638	All targets in OG5_126638
Leishmania major	aldehyde dehydrogenase, mitochondrial precursor	Get druggable targets OG5_126638	All targets in OG5_126638
Onchocerca volvulus		Get druggable targets OG5_131470	All targets in OG5_131470
Schistosoma japonicum	Aldehyde dehydrogenase X, mitochondrial precursor, putative	Get druggable targets OG5_126638	All targets in OG5_126638
Schistosoma japonicum	ko:K00128 aldehyde dehydrogenase (NAD+) [EC1.2.1.3], putative	Get druggable targets OG5_126638	All targets in OG5_126638
Schistosoma mansoni	aldehyde dehydrogenase	Get druggable targets OG5_126638	All targets in OG5_126638

By sequence similarity to non orthologous known druggable targets

Species	Potential target	Known druggable target	Length	Alignment span	Identity
Mycobacterium tuberculosis	Succinate-semialdehyde dehydrogenase [NADP+] dependent (SSDH) GabD1	aldehyde dehydrogenase 1 family, member A1	501 aa	456 aa	33.3 %

Ranking Plot

Putative Targets List

Species	Potential target	Raw	Global	Species
Brugia malayi	Pre-SET motif family protein	0.0251	0.214	1
Onchocerca volvulus		0.0286	0.2483	1
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0073	0.0378	0.1298
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0073	0.0378	0.1298
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0073	0.0378	0.1298
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0073	0.0378	0.1298
Brugia malayi	Phosphatidylinositol 3- and 4-kinase family protein	0.0073	0.0378	0.1713
Echinococcus multilocularis	serine:threonine protein kinase SMG1	0.0041	0.0063	0.005
Schistosoma mansoni	ataxia telangiectasia mutated (atm)-related	0.0073	0.0378	0.1298
Schistosoma mansoni	thyroid hormone receptor	0.032	0.2822	1
Echinococcus granulosus	Mitotic checkpoint protein PRCC C terminal	0.0296	0.2586	0.2586
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0073	0.0378	0.1298
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0073	0.0378	0.1298
Brugia malayi	hypothetical protein	0.0043	0.0086	0.0344
Echinococcus granulosus	Basic leucine zipper bZIP transcription	0.0043	0.0086	0.0086
Loa Loa (eye worm)	phosphatidylinositol 3	0.0073	0.0378	0.1713
Mycobacterium ulcerans	aldehyde dehydrogenase	0.0073	0.0381	0.5
Trichomonas vaginalis	conserved hypothetical protein	0.0046	0.011	0.0192
Trypanosoma cruzi	phosphatidylinositol 3-related kinase, putative	0.0073	0.0378	0.0978
Giardia lamblia	GTOR	0.0073	0.0378	0.5
Echinococcus multilocularis	serine protein kinase ATM	0.0041	0.0063	0.005
Echinococcus multilocularis	thyroid hormone receptor alpha	0.032	0.2822	0.2812
Plasmodium vivax	SET domain protein, putative	0.0036	0.0013	0.5
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0073	0.0378	0.1298
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0073	0.0378	0.1298
Echinococcus granulosus	phosphatidylinositol 3 and 4 kinase	0.0073	0.0378	0.0378
Entamoeba histolytica	FKBP-rapamycin associated protein (FRAP), putative	0.0073	0.0378	1
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0073	0.0378	0.1298
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0073	0.0378	0.1298
Entamoeba histolytica	hypothetical protein	0.0043	0.0086	0.0728
Echinococcus multilocularis	aldehyde dehydrogenase, mitochondrial	0.0073	0.0381	0.0369
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0073	0.0378	0.1298
Trypanosoma cruzi	phosphatidylinositol 3-related kinase, putative	0.0073	0.0378	0.0978
Brugia malayi	Phosphatidylinositol 3- and 4-kinase family protein	0.0041	0.0063	0.0236
Mycobacterium ulcerans	aldehyde dehydrogenase	0.0073	0.0381	0.5
Echinococcus granulosus	FKBP12 rapamycin complex associated protein	0.0073	0.0378	0.0378
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0073	0.0378	0.1298
Echinococcus multilocularis	FKBP12 rapamycin complex associated protein	0.0073	0.0378	0.0365
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0073	0.0378	0.1298
Trypanosoma brucei	target of rapamycin kinase 3, putative	0.0073	0.0378	1
Mycobacterium ulcerans	aldehyde dehydrogenase	0.0073	0.0381	0.5
Loa Loa (eye worm)	phosphatidylinositol 3	0.0073	0.0378	0.1713
Trypanosoma brucei	phosphatidylinositol 3-related kinase, putative	0.0073	0.0378	1
Trichomonas vaginalis	set domain proteins, putative	0.0286	0.2483	1
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0073	0.0378	0.1298
Trypanosoma cruzi	hypothetical protein, conserved	0.0366	0.3274	1
Schistosoma mansoni	hypothetical protein	0.0296	0.2586	0.9163
Trypanosoma brucei	phosphatidylinositol 3-kinase, putative	0.0073	0.0378	1
Brugia malayi	Phosphatidylinositol 3- and 4-kinase family protein	0.0041	0.0063	0.0236
Schistosoma mansoni	phosphatidylinositol 3-and 4-kinase	0.0073	0.0378	0.1298
Brugia malayi	Phosphatidylinositol 3- and 4-kinase family protein	0.0073	0.0378	0.1713
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0073	0.0378	0.1298
Leishmania major	hypothetical protein, conserved	0.038	0.3413	1
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0046	0.011	0.0192
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0073	0.0378	0.1298
Trypanosoma cruzi	target of rapamycin kinase 3	0.0073	0.0378	0.0978
Toxoplasma gondii	aldehyde dehydrogenase	0.0073	0.0381	1
Mycobacterium tuberculosis	Probable aldehyde dehydrogenase	0.0073	0.0381	0.5
Echinococcus granulosus	aldehyde dehydrogenase mitochondrial	0.0073	0.0381	0.0381
Echinococcus multilocularis	DNA dependent protein kinase catalytic subunit	0.1047	1	1
Trypanosoma cruzi	Phosphatidylinositol 3-kinase tor2	0.0073	0.0378	0.0978
Entamoeba histolytica	phosphatidylinositol3-kinaseTor2, putative	0.0073	0.0378	1
Schistosoma mansoni	ataxia telangiectasia mutated (atm)	0.0041	0.0063	0.0179
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0073	0.0378	0.1298
Schistosoma mansoni	aldehyde dehydrogenase	0.0073	0.0381	0.1311
Toxoplasma gondii	FATC domain-containing protein	0.0041	0.0063	0.1364
Schistosoma mansoni	aldehyde dehydrogenase	0.0073	0.0381	0.1311
Entamoeba histolytica	hypothetical protein	0.0043	0.0086	0.0728
Leishmania major	aldehyde dehydrogenase, mitochondrial precursor	0.0073	0.0381	0.0013
Loa Loa (eye worm)	pre-SET domain-containing protein family protein	0.0251	0.214	1
Toxoplasma gondii	target of rapamycin (TOR), putative	0.0073	0.0378	0.9894
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0073	0.0378	0.1298
Schistosoma mansoni	fkbp-rapamycin associated protein	0.0041	0.0063	0.0179
Toxoplasma gondii	non-specific serine/threonine protein kinase	0.0046	0.011	0.2624
Schistosoma mansoni	thyroid hormone receptor	0.032	0.2822	1
Trypanosoma brucei	Phosphatidylinositol 3-kinase tor1	0.0073	0.0378	1
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0073	0.0378	0.1298
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0073	0.0378	0.1298
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0073	0.0378	0.1298
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0073	0.0378	0.1298
Entamoeba histolytica	hypothetical protein	0.0043	0.0086	0.0728
Echinococcus multilocularis	Basic leucine zipper (bZIP) transcription	0.0043	0.0086	0.0073
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0073	0.0378	0.1298
Entamoeba histolytica	hypothetical protein	0.0043	0.0086	0.0728
Loa Loa (eye worm)	hypothetical protein	0.0046	0.011	0.0454
Schistosoma mansoni	transcription factor LCR-F1	0.0043	0.0086	0.026
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0073	0.0378	0.1298
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0073	0.0378	0.1298
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0073	0.0378	0.1298
Loa Loa (eye worm)	hypothetical protein	0.0041	0.0063	0.0236
Echinococcus granulosus	serine:threonine protein kinase SMG1	0.0041	0.0063	0.0063
Echinococcus multilocularis	Mitotic checkpoint protein PRCC, C terminal	0.0296	0.2586	0.2577
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0073	0.0378	0.1298
Echinococcus multilocularis	phosphatidylinositol 3 and 4 kinase	0.0073	0.0378	0.0365
Echinococcus granulosus	serine protein kinase ATM	0.0041	0.0063	0.0063
Schistosoma mansoni	hypothetical protein	0.0043	0.0086	0.026
Echinococcus granulosus	histone lysine methyltransferase setb	0.0036	0.0013	0.0013
Trypanosoma cruzi	Phosphatidylinositol 3-kinase tor1	0.0073	0.0378	0.0978
Trypanosoma brucei	FAT domain/Rapamycin binding domain/Phosphatidylinositol 3- and 4-kinase, putative	0.0046	0.011	0.1478
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0073	0.0378	0.1298
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0073	0.0378	0.1298
Trypanosoma brucei	phosphatidylinositol 4-kinase, putative	0.0073	0.0378	1

Activities

Activity type	Activity value	Assay description	Source	Reference
Potency (functional)	= 1.4125 um	PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of Aldehyde Dehydrogenase 1 (ALDH1A1). (Class of assay: confirmatory) [Related pubchem assays: 1030 (qHTS Validation Assay for Inhibitors of aldehyde dehydrogenase 1 (ALDH1A1))]	ChEMBL.	No reference
Potency (functional)	2.9362 uM	PUBCHEM_BIOASSAY: Primary qHTS for delayed death inhibitors of the malarial parasite plastid, 48 hour incubation. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID488752, AID488774, AID504848, AID504850]	ChEMBL.	No reference
Potency (functional)	7.3753 uM	PUBCHEM_BIOASSAY: Primary qHTS for delayed death inhibitors of the malarial parasite plastid, 96 hour incubation. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID488745, AID488752, AID488774, AID504848, AID504850]	ChEMBL.	No reference
Potency (functional)	12.5893 uM	PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of Histone Lysine Methyltransferase G9a. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID504404]	ChEMBL.	No reference
Potency (functional)	18.3564 uM	PUBCHEM_BIOASSAY: Nrf2 qHTS screen for inhibitors. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID493153, AID493163, AID504648]	ChEMBL.	No reference
Potency (functional)	89.1251 uM	PUBCHEM_BIOASSAY: HTS for Inhibitors of HP1-beta Chromodomain Interactions with Methylated Histone Tails. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID488962]	ChEMBL.	No reference

Phenotypes

Whole-cell/tissue/organism interactions

Species name	Source	Reference	Is orphan
Plasmodium falciparum	ChEMBL23

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

ChEMBL: CHEMBL1529599
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Bibliographic References

No literature references available for this target.

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Detailed information for compound 822132