TDR Targets

Basic information

Technical information

TDR Targets ID: 328978
Name: 3-[(4-bromophenyl)methyl]-1-(3,5-dichlorophen yl)-3,5-dimethylimidazo[1,2-a]imidazol-2-one
MW: 465.171 | Formula: C20H16BrCl2N3O
H donors: 0 H acceptors: 2 LogP: 5.7 Rotable bonds: 3
Rule of 5 violations (Lipinski): 1
SMILES: Brc1ccc(cc1)CC1(C)C(=O)N(c2n1c(C)cn2)c1cc(Cl)cc(c1)Cl
InChi: 1S/C20H16BrCl2N3O/c1-12-11-24-19-25(17-8-15(22)7-16(23)9-17)18(27)20(2,26(12)19)10-13-3-5-14(21)6-4-13/h3-9,11H,10H2,1-2H3
InChiKey: JCZHZSQAEMZHAT-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

3-[(4-bromophenyl)methyl]-1-(3,5-dichlorophenyl)-3,5-dimethyl-imidazo[1,2-a]imidazol-2-one
3-[(4-bromophenyl)methyl]-1-(3,5-dichlorophenyl)-3,5-dimethyl-2-imidazo[1,2-a]imidazolone
3-(4-bromobenzyl)-1-(3,5-dichlorophenyl)-3,5-dimethyl-imidazo[1,2-a]imidazol-2-one

Targets

Known targets for this compound

Species	Target name	Source	Bibliographic reference
Homo sapiens	integrin, beta 2 (complement component 3 receptor 3 and 4 subunit)	Starlite/ChEMBL	References

Predicted pathogen targets for this compound

By orthology

Species	Potential target	Known druggable target/s	Ortholog Group
Echinococcus multilocularis	integrin beta 2	Get druggable targets OG5_127959	All targets in OG5_127959
Schistosoma mansoni	integrin beta subunit	Get druggable targets OG5_127959	All targets in OG5_127959
Echinococcus granulosus	integrin beta 2	Get druggable targets OG5_127959	All targets in OG5_127959
Loa Loa (eye worm)	integrin beta-2	Get druggable targets OG5_127959	All targets in OG5_127959
Schistosoma japonicum	ko:K06464 integrin beta 2, putative	Get druggable targets OG5_127959	All targets in OG5_127959
Schistosoma japonicum	Integrin beta-PS precursor, putative	Get druggable targets OG5_127959	All targets in OG5_127959
Brugia malayi	Integrin beta pat-3 precursor	Get druggable targets OG5_127959	All targets in OG5_127959
Schistosoma japonicum	Integrin beta-3 precursor, putative	Get druggable targets OG5_127959	All targets in OG5_127959

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
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0385	0.8367	0.833
Entamoeba histolytica	phosphatidylinositol3-kinaseTor2, putative	0.045	1	1
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0151	0.2577	0.2407
Loa Loa (eye worm)	phosphatidylinositol 3	0.045	1	1
Toxoplasma gondii	non-specific serine/threonine protein kinase	0.0095	0.1185	0.039
Trypanosoma cruzi	peptidyl-prolyl cis-trans isomerase, putative	0.0062	0.0356	0.0136
Entamoeba histolytica	FKBP-rapamycin associated protein (FRAP), putative	0.045	1	1
Brugia malayi	Phosphatidylinositol 3- and 4-kinase family protein	0.0151	0.2577	0.2302
Loa Loa (eye worm)	hypothetical protein	0.0056	0.0223	0.0078
Trichomonas vaginalis	peptidylprolyl isomerase, putative	0.0062	0.0356	0.0136
Loa Loa (eye worm)	hypothetical protein	0.0092	0.1107	0.0975
Brugia malayi	FAT domain containing protein	0.0066	0.0464	0.0112
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0151	0.2577	0.2407
Trypanosoma brucei	phosphatidylinositol 4-kinase, putative	0.045	1	1
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0243	0.4862	0.4745
Loa Loa (eye worm)	FKBP-type peptidyl-prolyl cis-trans isomerase-12	0.0062	0.0356	0.0213
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0358	0.7715	0.7663
Trypanosoma cruzi	phosphatidylinositol kinase related protein, putative	0.0085	0.0944	0.0737
Schistosoma mansoni	hypothetical protein	0.0066	0.0464	0.0464
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0151	0.2577	0.2407
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0335	0.7138	0.7073
Brugia malayi	hypothetical protein	0.0069	0.0541	0.0192
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0335	0.7138	0.7073
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0335	0.7138	0.7073
Echinococcus multilocularis	integrin beta 2	0.0322	0.6807	0.676
Echinococcus granulosus	phosphatidylinositol 3 and 4 kinase	0.0151	0.2577	0.2466
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0292	0.6082	0.5992
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0243	0.4853	0.4735
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0335	0.7138	0.7073
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0335	0.7138	0.7073
Entamoeba histolytica	hypothetical protein	0.0085	0.0944	0.0609
Trypanosoma brucei	target of rapamycin kinase 3, putative	0.0359	0.7724	0.764
Trypanosoma cruzi	phosphatidylinositol 3-kinase, putative	0.0085	0.0944	0.0737
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0266	0.5439	0.5335
Brugia malayi	Integrin beta pat-3 precursor	0.0439	0.9725	0.9715
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0085	0.0944	0.0737
Echinococcus multilocularis	phosphatidylinositol 3 and 4 kinase	0.0151	0.2577	0.2466
Echinococcus granulosus	serine protein kinase ATM	0.0085	0.0944	0.0809
Trichomonas vaginalis	conserved hypothetical protein	0.0066	0.0464	0.0247
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0358	0.7715	0.7663
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0269	0.5505	0.5402
Giardia lamblia	GTOR	0.045	1	1
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0335	0.7138	0.7073
Echinococcus multilocularis	serine:threonine protein kinase SMG1	0.0085	0.0944	0.0809
Loa Loa (eye worm)	hypothetical protein	0.0095	0.1185	0.1054
Leishmania major	target of rapamycin (TOR) kinase 2, putative	0.045	1	1
Trypanosoma cruzi	FK506-binding protein (FKBP)-type peptidyl-prolyl isomerase, putative	0.0062	0.0356	0.0136
Echinococcus multilocularis	FKBP12 rapamycin complex associated protein	0.045	1	1
Schistosoma mansoni	immunophilin	0.0062	0.0356	0.0356
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0243	0.4853	0.4735
Schistosoma mansoni	immunophilin FK506 binding protein FKBP12	0.0062	0.0356	0.0356
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0358	0.7715	0.7663
Echinococcus granulosus	peptidyl prolyl cis trans isomerase FKBP4	0.0062	0.0356	0.0213
Loa Loa (eye worm)	integrin beta-2	0.0439	0.9725	0.9721
Echinococcus multilocularis	peptidyl prolyl cis trans isomerase FKBP4	0.0062	0.0356	0.0213
Trichomonas vaginalis	conserved hypothetical protein	0.0095	0.1185	0.0984
Trichomonas vaginalis	PIKK family atypical protein kinase	0.045	1	1
Trypanosoma cruzi	Phosphatidylinositol 3-kinase tor2	0.045	1	1
Trypanosoma brucei	phosphatidylinositol 3-kinase, putative	0.0151	0.2577	0.2302
Schistosoma mansoni	fkbp-rapamycin associated protein	0.0085	0.0944	0.0944
Schistosoma mansoni	phosphatidylinositol 3-and 4-kinase	0.0151	0.2577	0.2577
Echinococcus multilocularis	PIK kinase, FAT and Armadillo domain containing protein	0.0066	0.0464	0.0323
Leishmania major	target of rapamycin kinase (TOR) kinase 3	0.0359	0.7724	0.764
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0266	0.5439	0.5335
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0358	0.7715	0.7663
Trichomonas vaginalis	immunophilin, putative	0.0062	0.0356	0.0136
Echinococcus granulosus	serine:threonine protein kinase SMG1	0.0085	0.0944	0.0809
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0243	0.4862	0.4745
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0302	0.6323	0.6239
Trichomonas vaginalis	PIKK family atypical protein kinase	0.045	1	1
Brugia malayi	Kelch motif family protein	0.0069	0.0541	0.0192
Echinococcus multilocularis	serine protein kinase ATM	0.0085	0.0944	0.0809
Schistosoma mansoni	integrin beta subunit	0.0253	0.5097	0.5097
Trypanosoma cruzi	phosphatidylinositol 3-related kinase, putative	0.0151	0.2577	0.2407
Echinococcus granulosus	PIK kinase FAT and Armadillo domain containing protein	0.0066	0.0464	0.0323
Echinococcus multilocularis	fk506 binding protein	0.0062	0.0356	0.0213
Schistosoma mansoni	ataxia telangiectasia mutated (atm)	0.0085	0.0944	0.0944
Leishmania major	phosphatidylinositol 3-kinase, putative	0.0151	0.2577	0.2302
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0269	0.5505	0.5402
Trichomonas vaginalis	fk506-binding protein, putative	0.0062	0.0356	0.0136
Trichomonas vaginalis	PIKK family atypical protein kinase	0.045	1	1
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0335	0.7138	0.7073
Trypanosoma cruzi	FK506-binding protein (FKBP)-type peptidyl-prolyl isomerase, putative	0.0062	0.0356	0.0136
Trypanosoma brucei	phosphatidylinositol kinase related protein, putative	0.0085	0.0944	0.0609
Entamoeba histolytica	Phosphatidylinositol 3- and 4-kinase family	0.0085	0.0944	0.0609
Toxoplasma gondii	target of rapamycin (TOR), putative	0.0335	0.7138	1
Treponema pallidum	peptidyl-prolyl cis-trans isomerase, FKBP-type, 22 kDa (fklB)	0.0062	0.0356	0.5
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0269	0.5505	0.5402
Trypanosoma cruzi	peptidyl-prolyl cis-trans isomerase, putative	0.0062	0.0356	0.0136
Schistosoma mansoni	immunophilin	0.0053	0.0146	0.0146
Entamoeba histolytica	protein kinase rad3, putative	0.0085	0.0944	0.0609
Loa Loa (eye worm)	FKBP5 protein	0.0062	0.0356	0.0213
Mycobacterium ulcerans	FK-506 binding protein, peptidyl-prolyl cis-trans isomerase	0.0062	0.0356	0.5
Trypanosoma cruzi	target of rapamycin kinase 3	0.0359	0.7724	0.7672
Echinococcus granulosus	peptidyl prolyl cis trans isomerase FKBP1A	0.0062	0.0356	0.0213
Brugia malayi	Phosphatidylinositol 3- and 4-kinase family protein	0.0085	0.0944	0.0609
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0085	0.0944	0.0737
Loa Loa (eye worm)	kelch domain-containing protein family protein	0.0069	0.0541	0.0401
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0243	0.4862	0.4745
Trypanosoma brucei	phosphatidylinositol 3-kinase tor, putative	0.0213	0.4113	0.3896
Plasmodium vivax	70 kDa peptidylprolyl isomerase, putative	0.0062	0.0356	0.5
Echinococcus granulosus	FKBP12 rapamycin complex associated protein	0.045	1	1
Trypanosoma brucei	FAT domain/Rapamycin binding domain/Phosphatidylinositol 3- and 4-kinase, putative	0.0187	0.347	0.3229
Leishmania major	phosphatidylinositol 3-related kinase, putative	0.0151	0.2577	0.2302
Brugia malayi	Phosphatidylinositol 3- and 4-kinase family protein	0.0085	0.0944	0.0609
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0151	0.2577	0.2407
Schistosoma mansoni	ataxia telangiectasia mutated (atm)-related	0.045	1	1
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0358	0.7715	0.7663
Loa Loa (eye worm)	hypothetical protein	0.0085	0.0944	0.0809
Loa Loa (eye worm)	hypothetical protein	0.0066	0.0464	0.0323
Trypanosoma cruzi	Phosphatidylinositol 3-kinase tor1	0.045	1	1
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0085	0.0944	0.0737
Trypanosoma brucei	Phosphatidylinositol 3-kinase tor1	0.045	1	1
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0243	0.4853	0.4735
Trypanosoma cruzi	phosphatidylinositol 3-related kinase, putative	0.0151	0.2577	0.2407
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0151	0.2577	0.2407
Echinococcus granulosus	integrin beta 2	0.0322	0.6807	0.676
Loa Loa (eye worm)	hypothetical protein	0.0069	0.0541	0.0401
Loa Loa (eye worm)	phosphatidylinositol 3	0.0151	0.2577	0.2466
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0121	0.1828	0.1641
Leishmania major	target of rapamycin (TOR) kinase 1, putative	0.045	1	1
Trypanosoma brucei	phosphatidylinositol 3-related kinase, putative	0.0151	0.2577	0.2302
Plasmodium falciparum	peptidyl-prolyl cis-trans isomerase FKBP35	0.0062	0.0356	0.5
Schistosoma mansoni	immunophilin	0.0062	0.0356	0.0356
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0243	0.4862	0.4745
Trichomonas vaginalis	peptidylprolyl isomerase, putative	0.0062	0.0356	0.0136

Activities

Activity type	Activity value	Assay description	Source	Reference
Kd (binding)	= 0.34 uM	Dissociation constant for human Lymphocyte function associated antigen 1 in LFA-1/ICAM-1 binding assay	ChEMBL.	15481974
Kd (binding)	= 0.34 uM	Dissociation constant for human Lymphocyte function associated antigen 1 in LFA-1/ICAM-1 binding assay	ChEMBL.	15481974

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

PubChem: 11351766

Bibliographic References

1 literature reference was collected for this gene.

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

Detailed information for compound 328978