TDR Targets

Basic information

Technical information

TDR Targets ID: 1424120
Name: 3-(3,4-dimethoxyphenyl)-2-[(2,3-dimethylpheny l)amino]-5H-imidazol-4-one
MW: 339.388 | Formula: C19H21N3O3
H donors: 1 H acceptors: 1 LogP: 3 Rotable bonds: 5
Rule of 5 violations (Lipinski): 1
SMILES: COc1cc(ccc1OC)N1C(=O)CN=C1Nc1cccc(c1C)C
InChi: 1S/C19H21N3O3/c1-12-6-5-7-15(13(12)2)21-19-20-11-18(23)22(19)14-8-9-16(24-3)17(10-14)25-4/h5-10H,11H2,1-4H3,(H,20,21)
InChiKey: NLXANMVOJCDBRR-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

ASN 05816996
MLS000074779
SMR000005626
3-(3,4-Dimethoxy-phenyl)-2-(2,3-dimethyl-phenylamino)-3,5-dihydro-imidazol-4-one
ZINC01360537

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
Mycobacterium leprae	PROBABLE ATP-DEPENDENT CLP PROTEASE PROTEOLYTIC SUBUNIT 1 CLPP1 (ENDOPEPTIDASE CLP)	0.0057	0.1346	0.4744
Plasmodium falciparum	ATP-dependent Clp protease proteolytic subunit	0.0087	0.2189	1
Plasmodium vivax	isocitrate dehydrogenase [NADP], mitochondrial, putative	0.0033	0.0662	0.0473
Echinococcus granulosus	nibrin	0.0041	0.0879	0.2539
Trichomonas vaginalis	conserved hypothetical protein	0.0041	0.0879	0.5
Schistosoma mansoni	chromosome transmission fidelity factor	0.0041	0.0879	0.1301
Schistosoma mansoni	tar DNA-binding protein	0.0133	0.3461	0.5124
Schistosoma mansoni	hypothetical protein	0.0116	0.2988	0.4424
Toxoplasma gondii	ATP-dependent Clp endopeptidase, proteolytic subunit ClpP domain-containing protein	0.0087	0.2189	1
Trypanosoma cruzi	BRCA1 C Terminus (BRCT) domain containing protein, putative	0.0041	0.0879	1
Schistosoma mansoni	topbp1	0.0041	0.0879	0.1301
Plasmodium falciparum	isocitrate dehydrogenase [NADP], mitochondrial	0.0033	0.0662	0.0473
Toxoplasma gondii	isocitrate dehydrogenase	0.0033	0.0662	0.3023
Echinococcus multilocularis	cadherin EGF LAG seven pass G type receptor	0.0116	0.2988	0.8634
Brugia malayi	Pax transcription activation domain interacting protein	0.0041	0.0879	0.0879
Loa Loa (eye worm)	hypothetical protein	0.0041	0.0879	0.0879
Mycobacterium ulcerans	ATP-dependent Clp protease proteolytic subunit	0.0087	0.2189	1
Mycobacterium leprae	PROBABLE ATP-DEPENDENT CLP PROTEASE PROTEOLYTIC SUBUNIT 2 CLPP2 (ENDOPEPTIDASE CLP 2)	0.0087	0.2189	1
Trypanosoma cruzi	hypothetical protein, conserved	0.0041	0.0879	1
Loa Loa (eye worm)	hypothetical protein	0.025	0.6755	0.6755
Trichomonas vaginalis	conserved hypothetical protein	0.0041	0.0879	0.5
Brugia malayi	Latrophilin receptor protein 2	0.0116	0.2988	0.2988
Brugia malayi	TAR-binding protein	0.0133	0.3461	0.3461
Echinococcus multilocularis	diuretic hormone 44 receptor GPRdih2	0.0116	0.2988	0.8634
Trichomonas vaginalis	RNA polymerase II ctd phosphatase, putative	0.0041	0.0879	0.5
Toxoplasma gondii	ATPase, AAA family protein	0.0041	0.0879	0.4015
Brugia malayi	isocitrate dehydrogenase	0.0033	0.0662	0.0662
Toxoplasma gondii	ATP-dependent Clp endopeptidase, proteolytic subunit ClpP domain-containing protein	0.0087	0.2189	1
Trichomonas vaginalis	conserved hypothetical protein	0.0041	0.0879	0.5
Echinococcus granulosus	cadherin EGF LAG seven pass G type receptor	0.0116	0.2988	0.8634
Brugia malayi	DKFZp564C0469 protein	0.0041	0.0879	0.0879
Schistosoma mansoni	hypothetical protein	0.0116	0.2988	0.4424
Echinococcus multilocularis	NADP dependent isocitrate dehydrogenase	0.0033	0.0662	0.1911
Toxoplasma gondii	poly(ADP-ribose) polymerase catalytic domain-containing protein	0.0041	0.0879	0.4015
Chlamydia trachomatis	ATP-dependent Clp protease proteolytic subunit	0.0087	0.2189	1
Onchocerca volvulus		0.0041	0.0879	0.177
Echinococcus multilocularis	isocitrate dehydrogenase	0.0033	0.0662	0.1911
Onchocerca volvulus	Rap guanine nucleotide exchange factor 1 homolog	0.0186	0.4963	1
Plasmodium vivax	replication factor C subunit 1, putative	0.0041	0.0879	0.1828
Trichomonas vaginalis	replication factor C large subunit, putative	0.0041	0.0879	0.5
Brugia malayi	RNA binding protein	0.0133	0.3461	0.3461
Schistosoma mansoni	hypothetical protein	0.025	0.6755	1
Brugia malayi	hypothetical protein	0.0041	0.0879	0.0879
Mycobacterium leprae	PROBABLE DNA LIGASE [NAD DEPENDENT] LIGA (POLYDEOXYRIBONUCLEOTIDE SYNTHASE [NAD+])	0.0041	0.0879	0.1828
Echinococcus multilocularis	nibrin	0.0041	0.0879	0.2539
Loa Loa (eye worm)	hypothetical protein	0.0041	0.0879	0.0879
Wolbachia endosymbiont of Brugia malayi	ATP-dependent Clp protease proteolytic subunit	0.0087	0.2189	1
Schistosoma mansoni	tar DNA-binding protein	0.0133	0.3461	0.5124
Brugia malayi	RNA recognition motif domain containing protein	0.0133	0.3461	0.3461
Mycobacterium ulcerans	ATP-dependent Clp protease proteolytic subunit	0.0087	0.2189	1
Loa Loa (eye worm)	hypothetical protein	0.0041	0.0879	0.0879
Brugia malayi	Probable ClpP-like protease	0.0087	0.2189	0.2189
Loa Loa (eye worm)	hypothetical protein	0.0041	0.0879	0.0879
Mycobacterium tuberculosis	Probable ATP-dependent CLP protease proteolytic subunit 2 ClpP2 (endopeptidase CLP 2)	0.0057	0.1346	1
Echinococcus granulosus	GPCR family 2	0.0116	0.2988	0.8634
Schistosoma mansoni	DNA ligase IV	0.0041	0.0879	0.1301
Giardia lamblia	Replication factor C, subunit 1	0.0041	0.0879	0.5
Echinococcus granulosus	diuretic hormone 44 receptor GPRdih2	0.0116	0.2988	0.8634
Loa Loa (eye worm)	hypothetical protein	0.0041	0.0879	0.0879
Echinococcus multilocularis	NADP dependent isocitrate dehydrogenase	0.0033	0.0662	0.1911
Schistosoma mansoni	tar DNA-binding protein	0.0133	0.3461	0.5124
Echinococcus granulosus	NADP dependent isocitrate dehydrogenase	0.0033	0.0662	0.1911
Schistosoma mansoni	tar DNA-binding protein	0.0133	0.3461	0.5124
Loa Loa (eye worm)	latrophilin receptor protein 2	0.0116	0.2988	0.2988
Loa Loa (eye worm)	hypothetical protein	0.0116	0.2988	0.2988
Brugia malayi	calcium-independent alpha-latrotoxin receptor 2, putative	0.0116	0.2988	0.2988
Loa Loa (eye worm)	isocitrate dehydrogenase	0.0033	0.0662	0.0662
Loa Loa (eye worm)	TAR-binding protein	0.0133	0.3461	0.3461
Chlamydia trachomatis	ATP-dependent Clp protease proteolytic subunit	0.0087	0.2189	1
Brugia malayi	hypothetical protein	0.0041	0.0879	0.0879
Echinococcus multilocularis	peptidase Clp (S14 family)	0.0057	0.1346	0.3889
Brugia malayi	ATP dependent DNA ligase C terminal region family protein	0.0041	0.0879	0.0879
Echinococcus granulosus	replication factor c subunit 1	0.0041	0.0879	0.2539
Mycobacterium tuberculosis	Probable ATP-dependent CLP protease proteolytic subunit 1 ClpP1 (endopeptidase CLP)	0.0057	0.1346	1
Echinococcus granulosus	tar DNA binding protein	0.0133	0.3461	1
Echinococcus multilocularis	replication factor c subunit 1	0.0041	0.0879	0.2539
Trichomonas vaginalis	chromosome transmission fidelity factor, putative	0.0041	0.0879	0.5
Brugia malayi	Isocitrate dehydrogenase	0.0033	0.0662	0.0662
Schistosoma mansoni	hypothetical protein	0.0116	0.2988	0.4424
Echinococcus multilocularis	isocitrate dehydrogenase 2 (NADP+)	0.0033	0.0662	0.1911
Schistosoma mansoni	tar DNA-binding protein	0.0133	0.3461	0.5124
Plasmodium vivax	ATP-dependent Clp protease proteolytic subunit, putative	0.0087	0.2189	1
Loa Loa (eye worm)	RNA binding protein	0.0133	0.3461	0.3461
Schistosoma mansoni	topbp1	0.0041	0.0879	0.1301
Brugia malayi	N-terminal motif family protein	0.0186	0.4963	0.4963
Loa Loa (eye worm)	hypothetical protein	0.0087	0.2189	0.2189
Trypanosoma cruzi	hypothetical protein, conserved	0.0041	0.0879	1
Echinococcus multilocularis	GPCR, family 2	0.0116	0.2988	0.8634
Trichomonas vaginalis	conserved hypothetical protein	0.0041	0.0879	0.5
Brugia malayi	topoisomerase	0.0041	0.0879	0.0879
Loa Loa (eye worm)	hypothetical protein	0.0366	1	1
Leishmania major	isocitrate dehydrogenase [NADP], mitochondrial precursor, putative	0.0033	0.0662	0.5
Schistosoma mansoni	hypothetical protein	0.0116	0.2988	0.4424
Trichomonas vaginalis	RNA polymerase II ctd phosphatase, putative	0.0041	0.0879	0.5
Entamoeba histolytica	hypothetical protein	0.0041	0.0879	0.5
Brugia malayi	Calcitonin receptor-like protein seb-1	0.0366	1	1
Trypanosoma brucei	BRCA1 C Terminus (BRCT) domain containing protein, putative	0.0041	0.0879	1
Echinococcus granulosus	peptidase Clp S14 family	0.0057	0.1346	0.3889
Loa Loa (eye worm)	pigment dispersing factor receptor c	0.0366	1	1
Toxoplasma gondii	hypothetical protein	0.003	0.0586	0.2676
Brugia malayi	latrophilin 2 splice variant baaae	0.025	0.6755	0.6755
Trichomonas vaginalis	conserved hypothetical protein	0.0041	0.0879	0.5
Echinococcus multilocularis	tar DNA binding protein	0.0133	0.3461	1
Entamoeba histolytica	Activator 1 140 kDa subunit, putative	0.0041	0.0879	0.5
Schistosoma mansoni	NADP-specific isocitrate dehydrogenase	0.0033	0.0662	0.0979
Loa Loa (eye worm)	hypothetical protein	0.0041	0.0879	0.0879
Echinococcus granulosus	ATP dependent Clp protease proteolytic subunit	0.0087	0.2189	0.6324
Echinococcus multilocularis	ATP dependent Clp protease proteolytic subunit	0.0087	0.2189	0.6324
Trichomonas vaginalis	chromosome transmission fidelity factor, putative	0.0041	0.0879	0.5
Trypanosoma cruzi	FHA domain containing protein, putative	0.0041	0.0879	1
Toxoplasma gondii	isocitrate dehydrogenase	0.0033	0.0662	0.3023
Loa Loa (eye worm)	RNA recognition domain-containing protein domain-containing protein	0.0133	0.3461	0.3461
Loa Loa (eye worm)	hypothetical protein	0.0186	0.4963	0.4963
Treponema pallidum	DNA ligase (lig)	0.0041	0.0879	0.1828
Echinococcus multilocularis	NADP dependent isocitrate dehydrogenase	0.0033	0.0662	0.1911
Plasmodium falciparum	replication factor C subunit 1, putative	0.0041	0.0879	0.1828
Treponema pallidum	ATP-dependent Clp protease proteolytic subunit	0.0087	0.2189	1
Schistosoma mansoni	peptidase Clp (S14 family)	0.0087	0.2189	0.324

Activities

Activity type	Activity value	Assay description	Source	Reference
Potency (functional)	13.1154 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

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: CHEMBL1560205

Bibliographic References

No literature references available for this target.

If you have references for this compound, please enter them in a user comment (below) or Contact us.

Detailed information for compound 1424120