TDR Targets

Basic information

Technical information

TDR Targets ID: 311343
Name: 1-(4-chlorophenyl)-2-(2,4-dichlorophenyl)-N,N -diethyl-5-methylimidazole-4-carboxamide
MW: 436.762 | Formula: C21H20Cl3N3O
H donors: 0 H acceptors: 2 LogP: 6.14 Rotable bonds: 6
Rule of 5 violations (Lipinski): 1
SMILES: CCN(C(=O)c1nc(n(c1C)c1ccc(cc1)Cl)c1ccc(cc1Cl)Cl)CC
InChi: 1S/C21H20Cl3N3O/c1-4-26(5-2)21(28)19-13(3)27(16-9-6-14(22)7-10-16)20(25-19)17-11-8-15(23)12-18(17)24/h6-12H,4-5H2,1-3H3
InChiKey: MVVWQUKKYBOCHH-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-chlorophenyl)-2-(2,4-dichlorophenyl)-N,N-diethyl-5-methyl-imidazole-4-carboxamide
1-(4-chlorophenyl)-2-(2,4-dichlorophenyl)-N,N-diethyl-5-methyl-4-imidazolecarboxamide

Targets

Known targets for this compound

Species	Target name	Source	Bibliographic reference
Homo sapiens	cannabinoid receptor 2 (macrophage)	Starlite/ChEMBL	References
Homo sapiens	cannabinoid receptor 1 (brain)	Starlite/ChEMBL	References

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
Trypanosoma cruzi	cruzipain precursor, putative	0.0285	0.415	0.415
Entamoeba histolytica	cysteine proteinase, putative	0.0285	0.415	1
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0285	0.415	1
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0285	0.415	1
Loa Loa (eye worm)	hypothetical protein	0.0195	0.132	0.0205
Loa Loa (eye worm)	fibroinase	0.0285	0.415	0.3398
Leishmania major	cathepsin L-like protease	0.0285	0.415	1
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0285	0.415	1
Leishmania major	cathepsin L-like protease	0.0285	0.415	1
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0285	0.415	1
Leishmania major	cathepsin L-like protease	0.0285	0.415	1
Trichomonas vaginalis	Clan CA, family C1, cathepsin B-like cysteine peptidase	0.0189	0.1138	0.2743
Loa Loa (eye worm)	Papain cysteine protease/cathepsin propeptide inhibitor-containing protein	0.0285	0.415	0.3398
Brugia malayi	Cathepsin L-like precursor	0.0285	0.415	0.415
Loa Loa (eye worm)	hypothetical protein	0.0471	1	1
Giardia lamblia	Cathepsin B precursor	0.0189	0.1138	0.5
Schistosoma mansoni	cathepsin B-like peptidase (C01 family)	0.0471	1	1
Entamoeba histolytica	cysteine protease, putative	0.0285	0.415	1
Loa Loa (eye worm)	hypothetical protein	0.0285	0.415	0.3398
Plasmodium falciparum	cysteine proteinase falcipain 2a	0.0285	0.415	1
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0285	0.415	1
Onchocerca volvulus		0.0285	0.415	1
Echinococcus granulosus	cathepsin l1	0.0285	0.415	0.415
Loa Loa (eye worm)	papain family cysteine protease containing protein	0.0285	0.415	0.3398
Leishmania major	cathepsin L-like protease	0.0285	0.415	1
Brugia malayi	Cathepsin L-like precursor	0.0285	0.415	0.415
Onchocerca volvulus		0.0285	0.415	1
Brugia malayi	Cathepsin L-like precursor	0.0195	0.132	0.132
Echinococcus multilocularis	cathepsin l cysteine peptidase	0.0285	0.415	0.415
Brugia malayi	Cathepsin L-like precursor	0.0195	0.132	0.132
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0285	0.415	1
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0285	0.415	1
Onchocerca volvulus	Cathepsin L homolog	0.0285	0.415	1
Trypanosoma cruzi	cysteine peptidase, putative	0.0285	0.415	0.415
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0285	0.415	1
Echinococcus granulosus	cathepsin b	0.0471	1	1
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0285	0.415	1
Onchocerca volvulus		0.0285	0.415	1
Echinococcus multilocularis	cathepsin l cysteine peptidase	0.0285	0.415	0.415
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0285	0.415	1
Trypanosoma cruzi	cysteine peptidase, clan CA, family C1, cathepsin L-like, putative	0.0195	0.132	0.132
Giardia lamblia	Cathepsin B precursor	0.0189	0.1138	0.5
Leishmania major	cathepsin L-like protease	0.0285	0.415	1
Brugia malayi	Cathepsin L-like precursor	0.0285	0.415	0.415
Echinococcus multilocularis	cysteine protease	0.0285	0.415	0.415
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.0285	0.415	1
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0285	0.415	1
Giardia lamblia	Cathepsin B precursor	0.0189	0.1138	0.5
Echinococcus multilocularis	cathepsin b	0.0471	1	1
Entamoeba histolytica	cysteine proteinase, putative	0.0285	0.415	1
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0285	0.415	1
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0285	0.415	1
Leishmania major	cysteine peptidase A (CPA)	0.0285	0.415	1
Trypanosoma cruzi	cysteine peptidase, putative	0.0285	0.415	0.415
Brugia malayi	Cathepsin L-like precursor	0.0285	0.415	0.415
Echinococcus granulosus	cathepsin b	0.0471	1	1
Trypanosoma cruzi	cysteine peptidase, putative	0.0285	0.415	0.415
Onchocerca volvulus	Cathepsin L homolog	0.0285	0.415	1
Schistosoma mansoni	cathepsin B-like peptidase (C01 family)	0.0189	0.1138	0.1138
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.0285	0.415	1
Echinococcus multilocularis	cathepsin L cysteine protease	0.0285	0.415	0.415
Schistosoma mansoni	cathepsin F (C01 family)	0.0285	0.415	0.415
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0285	0.415	1
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0285	0.415	1
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0285	0.415	1
Brugia malayi	Papain family cysteine protease containing protein	0.0285	0.415	0.415
Onchocerca volvulus		0.0285	0.415	1
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0285	0.415	1
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.0285	0.415	1
Schistosoma mansoni	cathepsin F (C01 family)	0.0195	0.132	0.132
Echinococcus granulosus	cathepsin l cysteine peptidase	0.0285	0.415	0.415
Leishmania major	cathepsin L-like protease	0.0285	0.415	1
Brugia malayi	Cathepsin L-like cysteine proteinase	0.0195	0.132	0.132
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0285	0.415	1
Trichomonas vaginalis	Clan CA, family C1, cathepsin L or K-like cysteine peptidase	0.0285	0.415	1
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0285	0.415	1
Echinococcus multilocularis	cathepsin b	0.0471	1	1
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0285	0.415	1
Echinococcus granulosus	cathepsin l1	0.0195	0.132	0.132
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.0285	0.415	1
Loa Loa (eye worm)	ctsf protein	0.0285	0.415	0.3398
Entamoeba histolytica	cysteine proteinase, putative	0.0195	0.132	0.3182
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0285	0.415	1
Trypanosoma brucei	cysteine peptidase C (CPC)	0.0189	0.1138	0.2743
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.0285	0.415	1
Leishmania major	cathepsin L-like protease	0.0285	0.415	1
Leishmania major	cathepsin L-like protease	0.0285	0.415	1
Plasmodium vivax	vivapain-2	0.0285	0.415	1
Onchocerca volvulus		0.0285	0.415	1
Plasmodium falciparum	cysteine proteinase falcipain 3	0.0285	0.415	1
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0285	0.415	1
Schistosoma mansoni	cathepsin F (C01 family)	0.0285	0.415	0.415
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.0285	0.415	1
Schistosoma mansoni	cathepsin B-like peptidase (C01 family)	0.0471	1	1
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0195	0.132	0.3182
Brugia malayi	Cathepsin L-like precursor	0.0285	0.415	0.415
Plasmodium vivax	vivapain-2	0.0285	0.415	1
Echinococcus multilocularis	cysteine protease	0.0285	0.415	0.415
Echinococcus multilocularis	cathepsin L cysteine protease	0.0285	0.415	0.415
Brugia malayi	cathepsin L-like precursor	0.0195	0.132	0.132
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0285	0.415	1
Loa Loa (eye worm)	hypothetical protein	0.0195	0.132	0.0205
Toxoplasma gondii	cathepsin CPL	0.0285	0.415	1
Trypanosoma cruzi	cysteine peptidase C (CPC), putative	0.0189	0.1138	0.1138
Schistosoma mansoni	cathepsin B-like peptidase (C01 family)	0.0471	1	1
Trichomonas vaginalis	Clan CA, family C1, cathepsin L or K-like cysteine peptidase	0.0285	0.415	1
Plasmodium falciparum	cysteine proteinase falcipain 2b	0.0285	0.415	1
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.0285	0.415	1
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.0285	0.415	1
Schistosoma mansoni	SmCB2 peptidase (C01 family)	0.0471	1	1
Echinococcus granulosus	cathepsin L cysteine proteinase	0.0285	0.415	0.415
Onchocerca volvulus		0.0285	0.415	1
Trypanosoma cruzi	cysteine peptidase, putative	0.0285	0.415	0.415
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0285	0.415	1
Trypanosoma cruzi	cysteine peptidase C (CPC), putative	0.0471	1	1
Onchocerca volvulus		0.0285	0.415	1
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0195	0.132	0.3182
Loa Loa (eye worm)	hypothetical protein	0.0195	0.132	0.0205
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.0285	0.415	1
Onchocerca volvulus	Cathepsin F homolog	0.0285	0.415	1
Brugia malayi	Cathepsin L-like precursor	0.0285	0.415	0.415
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0285	0.415	1
Loa Loa (eye worm)	cysteine protease	0.0285	0.415	0.3398

Activities

Activity type	Activity value	Assay description	Source	Reference
Kd (functional)	= 7.4	In vitro cannabinoid receptor 1 antagonism of [3H]-arachidonic acid release by CHO cells	ChEMBL.	15771428
Ki (binding)	= 828 nM	In vitro displacement of CP-55,940 binding to human CB1 receptor expressed in CHO cells	ChEMBL.	15771428
Ki (binding)	= 828 nM	In vitro displacement of CP-55,940 binding to human CB1 receptor expressed in CHO cells	ChEMBL.	15771428
Ki (binding)	= 2520 nM	In vitro displacement of CP-55,940 binding to human CB2 receptor expressed in CHO cells	ChEMBL.	15771428
Ki (binding)	= 2520 nM	In vitro displacement of CP-55,940 binding to human CB2 receptor expressed in CHO cells	ChEMBL.	15771428
pA2 (functional)	= 7.4	In vitro cannabinoid receptor 1 antagonism of [3H]-arachidonic acid release by CHO cells	ChEMBL.	15771428

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

ChEMBL: CHEMBL369314
PubChem: 11189799

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 311343