TDR Targets

Basic information

Technical information

TDR Targets ID: 622651
Name: [2-[(3-methylphenyl)methylsulfanyl]-4,5-dihyd roimidazol-1-yl]-(4-propan-2-yloxyphenyl)meth anone
MW: 368.492 | Formula: C21H24N2O2S
H donors: 0 H acceptors: 1 LogP: 4.42 Rotable bonds: 7
Rule of 5 violations (Lipinski): 1
SMILES: CC(Oc1ccc(cc1)C(=O)N1CCN=C1SCc1cccc(c1)C)C
InChi: 1S/C21H24N2O2S/c1-15(2)25-19-9-7-18(8-10-19)20(24)23-12-11-22-21(23)26-14-17-6-4-5-16(3)13-17/h4-10,13,15H,11-12,14H2,1-3H3
InChiKey: VVNYSWOCFDCMDK-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

(4-isopropoxyphenyl)-[2-[(3-methylphenyl)methylsulfanyl]-4,5-dihydroimidazol-1-yl]methanone
(4-isopropoxyphenyl)-[2-[(3-methylphenyl)methylthio]-4,5-dihydroimidazol-1-yl]methanone
(4-isopropoxyphenyl)-[2-[(3-methylbenzyl)thio]-4,5-dihydroimidazol-1-yl]methanone
ZINC04120188

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	0.0416	0.0837
Onchocerca volvulus		0.0025	0.0596	0.1303
Loa Loa (eye worm)	WD40 repeat protein	0.0143	0.3942	1
Trichomonas vaginalis	antibiotic synthetase, putative	0.0007	0.0094	0.0073
Schistosoma mansoni	mixed-lineage leukemia protein mll	0.0007	0.0083	0.0182
Entamoeba histolytica	acyl-coA synthetase, putative	0.0025	0.0596	1
Toxoplasma gondii	histone lysine methyltransferase SET1	0.0053	0.1391	1
Mycobacterium tuberculosis	Peptide synthetase MbtE (peptide synthase)	0.0007	0.0094	0.0546
Loa Loa (eye worm)	hypothetical protein	0.0025	0.0596	0.1303
Mycobacterium tuberculosis	Possible fatty-acid-CoA ligase FadD1 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase)	0.0007	0.0094	0.0546
Chlamydia trachomatis	acylglycerophosphoethanolamine acyltransferase	0.0019	0.0416	0.5
Mycobacterium tuberculosis	Probable peptide synthetase Nrp (peptide synthase)	0.0007	0.0094	0.0546
Mycobacterium tuberculosis	Probable fatty-acid-CoA ligase FadD8 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase)	0.0007	0.0094	0.0546
Brugia malayi	AMP-binding enzyme family protein	0.0025	0.0596	0.1303
Trypanosoma cruzi	long-chain-fatty-acid-CoA ligase, putative	0.0007	0.0094	0.5
Loa Loa (eye worm)	hypothetical protein	0.0025	0.0596	0.1303
Onchocerca volvulus		0.0028	0.068	0.1523
Schistosoma mansoni	cpg binding protein	0.003	0.0726	0.1587
Echinococcus granulosus	acetyl coenzyme A synthetase cytoplasmic	0.0007	0.0094	0.0011
Entamoeba histolytica	acyl-CoA synthetase, putative	0.0025	0.0596	1
Mycobacterium ulcerans	acyl-CoA synthetase	0.0025	0.0596	1
Mycobacterium tuberculosis	Fatty-acid-CoA synthetase FadD17 (fatty-acid-CoA synthase) (fatty-acid-CoA ligase)	0.0007	0.0094	0.0546
Mycobacterium ulcerans	fatty-acid-CoA ligase	0.0019	0.0416	0.6421
Brugia malayi	F/Y-rich N-terminus family protein	0.0009	0.0129	0.0089
Mycobacterium ulcerans	acyl-CoA synthetase	0.0025	0.0596	1
Mycobacterium ulcerans	hypothetical protein	0.0025	0.0596	1
Echinococcus multilocularis	tumor protein p63	0.0357	1	1
Loa Loa (eye worm)	hypothetical protein	0.0019	0.0416	0.0837
Echinococcus multilocularis	cpg binding protein	0.003	0.0726	0.0648
Leishmania major	4-coumarate:coa ligase-like protein	0.0025	0.0596	1
Echinococcus multilocularis	protein will die slowly	0.0143	0.3942	0.3891
Brugia malayi	AMP-binding enzyme family protein	0.0025	0.0596	0.1303
Schistosoma mansoni	cpg binding protein	0.0028	0.068	0.1488
Echinococcus granulosus	histone lysine N methyltransferase MLL3	0.0009	0.0132	0.0049
Loa Loa (eye worm)	histone methyltransferase	0.0009	0.0132	0.0097
Mycobacterium ulcerans	long-chain fatty-acid CoA ligase	0.0025	0.0596	1
Plasmodium falciparum	acyl-CoA synthetase	0.0019	0.0416	1
Mycobacterium tuberculosis	Probable fatty-acid-CoA ligase FadD35 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase)	0.0018	0.0387	0.6071
Mycobacterium tuberculosis	Probable fatty-acid-CoA ligase FadD3 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase)	0.0018	0.0387	0.6071
Schistosoma mansoni	mixed-lineage leukemia protein mll	0.0059	0.1571	0.3435
Echinococcus multilocularis	histone lysine N methyltransferase MLL3	0.0009	0.0132	0.0049
Mycobacterium tuberculosis	Probable medium chain fatty-acid-CoA ligase FadD14 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase)	0.0007	0.0094	0.0546
Onchocerca volvulus		0.0143	0.3942	1
Brugia malayi	AMP-binding enzyme family protein	0.0025	0.0596	0.1303
Mycobacterium tuberculosis	Peptide synthetase MbtF (peptide synthase)	0.0007	0.0094	0.0546
Loa Loa (eye worm)	hypothetical protein	0.0019	0.0416	0.0837
Trypanosoma cruzi	acetyl-CoA synthetase, putative	0.0007	0.0094	0.5
Mycobacterium ulcerans	long-chain-fatty-acid--CoA ligase	0.0025	0.0596	1
Loa Loa (eye worm)	hypothetical protein	0.0019	0.0416	0.0837
Schistosoma mansoni	hypothetical protein	0.0143	0.3942	0.8621
Brugia malayi	CXXC zinc finger family protein	0.0028	0.068	0.1523
Loa Loa (eye worm)	hypothetical protein	0.0019	0.0416	0.0837
Onchocerca volvulus		0.0052	0.1366	0.3306
Mycobacterium tuberculosis	P-hydroxybenzoyl-AMP ligase FadD22	0.0007	0.0094	0.0546
Schistosoma mansoni	cpg binding protein	0.003	0.0726	0.1587
Trichomonas vaginalis	WD repeat domain, putative	0.0143	0.3942	1
Mycobacterium tuberculosis	Probable fatty-acid-CoA ligase FadD2 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase)	0.0025	0.0596	1
Trypanosoma brucei	acetyl-CoA synthetase, putative	0.0007	0.0094	0.5
Leishmania major	4-coumarate:coa ligase-like protein	0.0025	0.0596	1
Mycobacterium ulcerans	fatty-acid-CoA ligase	0.0025	0.0596	1
Echinococcus granulosus	cpg binding protein	0.003	0.0726	0.0648
Echinococcus multilocularis	acetyl coenzyme A synthetase, cytoplasmic	0.0007	0.0094	0.0011
Trypanosoma brucei	long-chain-fatty-acid-CoA ligase, putative	0.0007	0.0094	0.5
Leishmania major	4-coumarate:coa ligase-like protein	0.0025	0.0596	1
Trypanosoma cruzi	long-chain-fatty-acid-CoA ligase, putative	0.0007	0.0094	0.5
Trichomonas vaginalis	antibiotic synthetase, putative	0.0007	0.0094	0.0073
Mycobacterium tuberculosis	Probable chain -fatty-acid-CoA ligase FadD13 (fatty-acyl-CoA synthetase)	0.0025	0.0596	1
Loa Loa (eye worm)	CXXC zinc finger family protein	0.0028	0.068	0.1523
Echinococcus multilocularis	geminin	0.0165	0.4572	0.4526
Trypanosoma cruzi	acetyl-CoA synthetase, putative	0.0007	0.0094	0.5
Loa Loa (eye worm)	hypothetical protein	0.0025	0.0596	0.1303
Mycobacterium tuberculosis	Fatty-acid-AMP ligase FadD30 (fatty-acid-AMP synthetase) (fatty-acid-AMP synthase)	0.0019	0.0416	0.6617
Mycobacterium tuberculosis	Phenyloxazoline synthase MbtB (phenyloxazoline synthetase)	0.0007	0.0094	0.0546
Mycobacterium tuberculosis	Probable fatty-acid-CoA ligase FadD5 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase)	0.0018	0.0387	0.6071
Mycobacterium ulcerans	acyl-CoA synthetase	0.0025	0.0596	1
Mycobacterium tuberculosis	Bifunctional enzyme MbtA: salicyl-AMP ligase (SAL-AMP ligase) + salicyl-S-ArCP synthetase	0.0007	0.0094	0.0546
Mycobacterium ulcerans	long-chain-fatty-acid-CoA ligase	0.0025	0.0596	1
Mycobacterium leprae	PROBABLE FATTY-ACID-CoA LIGASE FADD7 (FATTY-ACID-CoA SYNTHETASE) (FATTY-ACID-CoA SYNTHASE)	0.0025	0.0596	1
Mycobacterium tuberculosis	Possible fatty-acid-CoA ligase FadD10 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase)	0.0007	0.0094	0.0546
Schistosoma mansoni	hypothetical protein	0.0165	0.4572	1
Entamoeba histolytica	acyl-CoA synthetase, putative	0.0025	0.0596	1
Schistosoma mansoni	cellular tumor antigen P53	0.0052	0.1366	0.2989
Brugia malayi	Will die slowly protein	0.0143	0.3942	1
Loa Loa (eye worm)	hypothetical protein	0.0052	0.1366	0.3306
Mycobacterium leprae	PROBABLE FATTY-ACID-CoA LIGASE FADD2 (FATTY-ACID-CoA SYNTHETASE) (FATTY-ACID-CoA SYNTHASE)	0.0025	0.0596	1
Schistosoma mansoni	acetyl-CoA synthetase	0.0007	0.0094	0.0207
Schistosoma mansoni	hypothetical protein	0.0165	0.4572	1
Mycobacterium tuberculosis	Probable fatty-acid-CoA ligase FadD7 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase)	0.0018	0.0387	0.6071
Echinococcus granulosus	geminin	0.0165	0.4572	0.4526
Plasmodium vivax	acyl-CoA synthetase, putative	0.0019	0.0416	1
Echinococcus granulosus	protein will die slowly	0.0143	0.3942	0.3891

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 622651