TDR Targets

Basic information

Technical information

TDR Targets ID: 420929
Name: 2-(4-iodophenyl)-4,5-diphenyl-1H-imidazole
MW: 422.262 | Formula: C21H15IN2
H donors: 1 H acceptors: 1 LogP: 5.7 Rotable bonds: 3
Rule of 5 violations (Lipinski): 1
SMILES: Ic1ccc(cc1)c1nc(c([nH]1)c1ccccc1)c1ccccc1
InChi: 1S/C21H15IN2/c22-18-13-11-17(12-14-18)21-23-19(15-7-3-1-4-8-15)20(24-21)16-9-5-2-6-10-16/h1-14H,(H,23,24)
InChiKey: GXWFZOVGPDNGFD-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

2-(4-iodophenyl)-4,5-di(phenyl)-1H-imidazole
Oprea1_083621
ZINC08424703
Oprea1_273481
AG-690/11629445
2-(4-Iodo-phenyl)-4,5-diphenyl-1H-imidazole
BAS 00427976

Targets

Known targets for this compound

Species	Target name	Source	Bibliographic reference
Homo sapiens	NADPH oxidase 1	Starlite/ChEMBL	No references

Predicted pathogen targets for this compound

By orthology

Species	Potential target	Known druggable target/s	Ortholog Group
Loa Loa (eye worm)	blistered cuticle protein 3	Get druggable targets OG5_127219	All targets in OG5_127219
Loa Loa (eye worm)	hypothetical protein	Get druggable targets OG5_127219	All targets in OG5_127219
Brugia malayi	Blistered cuticle protein 3	Get druggable targets OG5_127219	All targets in OG5_127219
Onchocerca volvulus	Dual oxidase homolog	Get druggable targets OG5_127219	All targets in OG5_127219

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
Echinococcus granulosus	retinoic acid receptor rxr beta a	0.0017	0.0988	0.2886
Trichomonas vaginalis	voltage and ligand gated potassium channel, putative	0.0033	0.3125	0.5
Schistosoma mansoni	thyroid hormone receptor	0.0017	0.0988	0.2573
Echinococcus granulosus	FTZ F1 alpha	0.0017	0.0988	0.2886
Echinococcus multilocularis	FTZ F1 alpha	0.0017	0.0988	0.2886
Echinococcus multilocularis	thyroid hormone receptor alpha	0.0017	0.0988	0.2886
Brugia malayi	Nuclear hormone receptor family member nhr-25	0.0017	0.0988	0.0988
Schistosoma mansoni	RAR-like nuclear receptor	0.0017	0.0988	0.2573
Echinococcus multilocularis	voltage gated potassium channel	0.001	0.0206	0.0601
Echinococcus multilocularis	potassium voltage gated channel subfamily H	0.0036	0.3424	1
Echinococcus granulosus	voltage gated potassium channel	0.001	0.0206	0.0601
Loa Loa (eye worm)	nuclear hormone receptor family member nhr-40	0.0017	0.0988	0.0988
Schistosoma mansoni	thyroid hormone receptor	0.0017	0.0988	0.2573
Brugia malayi	Nuclear hormone receptor family member nhr-49	0.0017	0.0988	0.0988
Schistosoma mansoni	nuclear receptor 2DBD-gamma	0.0017	0.0988	0.2573
Loa Loa (eye worm)	hypothetical protein	0.0017	0.0988	0.0988
Echinococcus granulosus	nuclear receptor 2DBD gamma	0.0017	0.0988	0.2886
Loa Loa (eye worm)	nuclear Hormone Receptor family member	0.0017	0.0988	0.0988
Loa Loa (eye worm)	voltage and ligand gated potassium channel	0.0036	0.3424	0.3424
Schistosoma mansoni	nuclear hormone receptor	0.0017	0.0988	0.2573
Echinococcus multilocularis	hepatocyte nuclear factor 4 alpha	0.0017	0.0988	0.2886
Loa Loa (eye worm)	hypothetical protein	0.0017	0.0988	0.0988
Loa Loa (eye worm)	nuclear hormone receptor family member nhr-49	0.0017	0.0988	0.0988
Brugia malayi	Nuclear hormone receptor family member nhr-31	0.0017	0.0988	0.0988
Brugia malayi	Nuclear hormone receptor-like 1	0.0017	0.0988	0.0988
Treponema pallidum	hypothetical protein	0.0012	0.0382	0.5
Brugia malayi	Nuclear hormone receptor family member nhr-25	0.0017	0.0988	0.0988
Brugia malayi	nuclear receptor NHR-88	0.0017	0.0988	0.0988
Loa Loa (eye worm)	hypothetical protein	0.0017	0.0988	0.0988
Echinococcus granulosus	Nuclear hormone receptor family member nhr 41	0.0017	0.0988	0.2886
Loa Loa (eye worm)	nuclear hormone receptor family member nhr-41	0.0017	0.0988	0.0988
Loa Loa (eye worm)	hypothetical protein	0.0017	0.0988	0.0988
Schistosoma mansoni	steroid hormone receptor ad4bp	0.0017	0.0988	0.2573
Brugia malayi	Nuclear hormone receptor family member nhr-14	0.0017	0.0988	0.0988
Loa Loa (eye worm)	blistered cuticle protein 3	0.0088	1	1
Echinococcus multilocularis	ecdysone induced protein 78C	0.0017	0.0988	0.2886
Trypanosoma cruzi	ferric reductase transmembrane protein, putative	0.0041	0.4106	0.5
Entamoeba histolytica	hypothetical protein	0.0012	0.0382	0.5
Brugia malayi	nuclear hormone receptor	0.0017	0.0988	0.0988
Brugia malayi	Ligand-binding domain of nuclear hormone receptor family protein	0.0017	0.0988	0.0988
Loa Loa (eye worm)	hypothetical protein	0.0017	0.0988	0.0988
Brugia malayi	Steroid receptor seven-up type 2	0.0017	0.0988	0.0988
Brugia malayi	Nuclear hormone receptor family member nhr-19	0.0017	0.0988	0.0988
Brugia malayi	Voltage-gated potassium channel, HERG (KCNH2)-related. C. elegans unc-103 ortholog	0.0036	0.3424	0.3424
Brugia malayi	steroid hormone receptor	0.0017	0.0988	0.0988
Brugia malayi	Nuclear hormone receptor family member nhr-1	0.0017	0.0988	0.0988
Loa Loa (eye worm)	steroid hormone receptor	0.0017	0.0988	0.0988
Trypanosoma cruzi	ferric reductase transmembrane protein, putative	0.0041	0.4106	0.5
Echinococcus granulosus	nuclear receptor 2DBD gamma	0.0017	0.0988	0.2886
Echinococcus granulosus	FTZ F1 nuclear receptor protein	0.0017	0.0988	0.2886
Schistosoma mansoni	photoreceptor-specific nuclear receptor related	0.0017	0.0988	0.2573
Brugia malayi	Nuclear hormone receptor family member nhr-19	0.0017	0.0988	0.0988
Schistosoma mansoni	nuclear hormone receptor nor-1/nor-2	0.0017	0.0988	0.2573
Echinococcus multilocularis	COUP TF:Svp nuclear hormone receptor	0.0017	0.0988	0.2886
Brugia malayi	Nuclear hormone receptor family member nhr-41	0.0017	0.0988	0.0988
Schistosoma mansoni	retinoid-x-receptor (RXR)	0.0017	0.0988	0.2573
Loa Loa (eye worm)	hypothetical protein	0.0017	0.0988	0.0988
Echinococcus granulosus	hepatocyte nuclear factor 4 alpha	0.0017	0.0988	0.2886
Schistosoma mansoni	voltage-gated potassium channel	0.001	0.0206	0.0536
Loa Loa (eye worm)	hypothetical protein	0.0017	0.0988	0.0988
Schistosoma mansoni	FTZ-F1 nuclear receptor-like protein	0.0017	0.0988	0.2573
Loa Loa (eye worm)	hypothetical protein	0.0017	0.0988	0.0988
Loa Loa (eye worm)	hypothetical protein	0.001	0.0206	0.0206
Echinococcus granulosus	ecdysone induced protein 78C	0.0017	0.0988	0.2886
Echinococcus granulosus	potassium voltage gated channel subfamily H	0.0036	0.3424	1
Echinococcus multilocularis	nuclear receptor 2DBD gamma	0.0017	0.0988	0.2886
Brugia malayi	photoreceptor-specific nuclear receptor	0.0017	0.0988	0.0988
Loa Loa (eye worm)	nuclear hormone receptor family member nhr-31	0.0017	0.0988	0.0988
Leishmania major	ferric reductase, putative	0.0041	0.4106	0.5
Brugia malayi	Voltage-gated potassium channel, EAG (KCNH1)-related. C. elegans egl-2 ortholog	0.001	0.0206	0.0206
Echinococcus multilocularis	FTZ F1 nuclear receptor protein	0.0017	0.0988	0.2886
Schistosoma mansoni	voltage-gated potassium channel	0.001	0.0206	0.0536
Echinococcus multilocularis	nuclear receptor 2DBD gamma	0.0017	0.0988	0.2886
Echinococcus multilocularis	potassium voltage gated channel subfamily H	0.001	0.0206	0.0601
Schistosoma mansoni	Tr4/Tr2 (homologue)	0.0017	0.0988	0.2573
Loa Loa (eye worm)	hypothetical protein	0.0047	0.4788	0.4788
Schistosoma mansoni	retinoic acid receptor RXR	0.0017	0.0988	0.2573
Loa Loa (eye worm)	nuclear hormone receptor family member nhr-1	0.0017	0.0988	0.0988
Schistosoma mansoni	coup transcription factor	0.0017	0.0988	0.2573
Brugia malayi	ecdysteroid receptor	0.0017	0.0988	0.0988
Echinococcus granulosus	potassium voltage gated channel subfamily H	0.001	0.0206	0.0601
Echinococcus multilocularis	Nuclear hormone receptor family member nhr 41	0.0017	0.0988	0.2886
Echinococcus granulosus	COUP TF:Svp nuclear hormone receptor	0.0017	0.0988	0.2886
Onchocerca volvulus	Dual oxidase homolog	0.0088	1	1
Brugia malayi	Nuclear hormone receptor family member nhr-40	0.0017	0.0988	0.0988
Schistosoma mansoni	voltage-gated potassium channel	0.0039	0.384	1
Brugia malayi	Nuclear hormone receptor family member nhr-3	0.0017	0.0988	0.0988
Trypanosoma brucei	ferric reductase transmembrane protein, putative	0.0041	0.4106	0.5
Loa Loa (eye worm)	hypothetical protein	0.0031	0.2825	0.2825
Loa Loa (eye worm)	nuclear hormone receptor family member nhr-14	0.0017	0.0988	0.0988
Schistosoma mansoni	voltage-gated potassium channel	0.0039	0.384	1
Trichomonas vaginalis	voltage and ligand gated potassium channel, putative	0.0033	0.3125	0.5
Brugia malayi	Ligand-binding domain of nuclear hormone receptor family protein	0.0017	0.0988	0.0988

Activities

Activity type	Activity value	Assay description	Source	Reference
Activity (functional)	= 27.91 %	Antiinflammatory activity assessed as reduction of carrageenan-induced paw volume in intraperitonially dosed Wistar rat after 3 hrs	ChEMBL.	17079151
Activity (functional)	= 4.16 s	Antinociceptive activity in ip dosed Swiss albino mouse assessed as latency time by tail flick method	ChEMBL.	17079151
Activity (functional)	= 4.16 s	Antinociceptive activity in ip dosed Swiss albino mouse assessed as latency time by tail flick method	ChEMBL.	17079151
Activity (functional)	= 4.26 s	Antinociceptive activity in ip dosed Swiss albino mouse assessed as latency time after 15 mins by tail flick method	ChEMBL.	17079151
Activity (functional)	= 4.26 s	Antinociceptive activity in ip dosed Swiss albino mouse assessed as latency time after 15 mins by tail flick method	ChEMBL.	17079151
Activity (functional)	= 4.45 s	Antinociceptive activity in ip dosed Swiss albino mouse assessed as latency time by hot plate method	ChEMBL.	17079151
Activity (functional)	= 4.45 s	Antinociceptive activity in ip dosed Swiss albino mouse assessed as latency time by hot plate method	ChEMBL.	17079151
Activity (functional)	= 4.64 s	Antinociceptive activity in ip dosed Swiss albino mouse assessed as latency time after 15 mins by hot plate method	ChEMBL.	17079151
Activity (functional)	= 4.64 s	Antinociceptive activity in ip dosed Swiss albino mouse assessed as latency time after 15 mins by hot plate method	ChEMBL.	17079151
Activity (functional)	= 5.21 s	Antinociceptive activity in ip dosed Swiss albino mouse assessed as latency time after 30 mins by tail flick method	ChEMBL.	17079151
Activity (functional)	= 5.21 s	Antinociceptive activity in ip dosed Swiss albino mouse assessed as latency time after 30 mins by tail flick method	ChEMBL.	17079151
Activity (functional)	= 5.33 s	Antinociceptive activity in ip dosed Swiss albino mouse assessed as latency time after 30 mins by hot plate method	ChEMBL.	17079151
Activity (functional)	= 5.33 s	Antinociceptive activity in ip dosed Swiss albino mouse assessed as latency time after 30 mins by hot plate method	ChEMBL.	17079151
Activity (functional)	= 5.89 s	Antinociceptive activity in ip dosed Swiss albino mouse assessed as latency time after 60 mins by tail flick method	ChEMBL.	17079151
Activity (functional)	= 5.89 s	Antinociceptive activity in ip dosed Swiss albino mouse assessed as latency time after 60 mins by tail flick method	ChEMBL.	17079151
Activity (functional)	= 6.18 s	Antinociceptive activity in ip dosed Swiss albino mouse assessed as latency time after 60 mins by hot plate method	ChEMBL.	17079151
Activity (functional)	= 6.18 s	Antinociceptive activity in ip dosed Swiss albino mouse assessed as latency time after 120 mins by hot plate method	ChEMBL.	17079151
Activity (functional)	= 6.18 s	Antinociceptive activity in ip dosed Swiss albino mouse assessed as latency time after 60 mins by hot plate method	ChEMBL.	17079151
Activity (functional)	= 6.18 s	Antinociceptive activity in ip dosed Swiss albino mouse assessed as latency time after 120 mins by hot plate method	ChEMBL.	17079151
Activity (functional)	= 6.5 s	Antinociceptive activity in ip dosed Swiss albino mouse assessed as latency time after 120 mins by tail flick method	ChEMBL.	17079151
Activity (functional)	= 6.5 s	Antinociceptive activity in ip dosed Swiss albino mouse assessed as latency time after 120 mins by tail flick method	ChEMBL.	17079151
IC50 (functional)	> 17 um	PUBCHEM_BIOASSAY: Late-stage luminescence-based cell-based dose response assay to identify inhibitors of NADPH oxidase 1 (NOX1): Purchased analogs. (Class of assay: confirmatory) [Related pubchem assays: 2752 (Primary screen (NOX1 inhibitors, synthesized analogs set 2)), 2532 (Dose response (NOX1 inhibitors, HEK/293 cells)), 2664 (Primary screen (NOX1 inhibitors, synthesized analogs)), 1792 (Primary Screen (NOX1 inhibitors)), 2556 (Counterscreen (Xanthine oxidase inhibitors)), 2538 (Dose response screen (NOX1 inhibitors)), 1796 (Summary AID (NOX1 inhibitors)), 2773 (Primary screen (NOX1 inhibitors, synthesized analogs set 3)), 2545 (Confirmation screen (NOX1 inhibitors, HEK/293 cells)), 2539 (Counterscreen (NOX2, NOX3, NOX4 inhibitors)), 2541 (Confirmation screen (NOX1 inhibitors)), 1823 (Counterscreen (luminal))]	ChEMBL.	No reference

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: CHEMBL224501
PubChem: 634561

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 420929