TDR Targets

Basic information

Technical information

TDR Targets ID: 1370593
Name: 1-[(4-bromophenyl)methoxy]imidazole
MW: 253.095 | Formula: C10H9BrN2O
H donors: 0 H acceptors: 1 LogP: 2.6 Rotable bonds: 3
Rule of 5 violations (Lipinski): 1
SMILES: Brc1ccc(cc1)COn1cncc1
InChi: 1S/C10H9BrN2O/c11-10-3-1-9(2-4-10)7-14-13-6-5-12-8-13/h1-6,8H,7H2
InChiKey: JVQLNCPIOPMEAI-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-bromobenzyl)oxyimidazole
1P-718
1-[(4-bromobenzyl)oxy]-1H-imidazole
MLS000721064
SMR000335256
ZINC01406251

Targets

Known targets for this compound

Species	Target name	Source	Bibliographic reference
Homo sapiens	GNAS complex locus	Starlite/ChEMBL	No references
Homo sapiens	geminin, DNA replication inhibitor	Starlite/ChEMBL	No references

Predicted pathogen targets for this compound

By orthology

Species	Potential target	Known druggable target/s	Ortholog Group
Brugia malayi	GTP-binding regulatory protein Gs alpha-S chain, putative	Get druggable targets OG5_131088	All targets in OG5_131088
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	Get druggable targets OG5_131088	All targets in OG5_131088
Echinococcus granulosus	guanine nucleotide binding protein Gs subunit	Get druggable targets OG5_131088	All targets in OG5_131088
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	Get druggable targets OG5_131088	All targets in OG5_131088
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	Get druggable targets OG5_131088	All targets in OG5_131088
Echinococcus multilocularis	guanine nucleotide binding protein G(s) subunit	Get druggable targets OG5_131088	All targets in OG5_131088
Echinococcus granulosus	guanine nucleotide binding protein Gs subunit	Get druggable targets OG5_131088	All targets in OG5_131088
Loa Loa (eye worm)	GTP-binding regulatory protein Gs alpha-S chain	Get druggable targets OG5_131088	All targets in OG5_131088
Schistosoma japonicum	ko:K04632 guanine nucleotide binding protein (G protein), alpha stimulating, putative	Get druggable targets OG5_131088	All targets in OG5_131088
Echinococcus multilocularis	guanine nucleotide binding protein G(s) subunit	Get druggable targets OG5_131088	All targets in OG5_131088

By sequence similarity to non orthologous known druggable targets

Species	Potential target	Known druggable target	Length	Alignment span	Identity
Brugia malayi	Hypothetical 65.5 kDa Trp-Asp repeats containing protein F02E8.5 inchromosome X	geminin, DNA replication inhibitor	209 aa	176 aa	27.8 %
Schistosoma mansoni	GTP-binding protein alpha subunit gna	GNAS complex locus	394 aa	450 aa	28.7 %

Ranking Plot

Putative Targets List

Species	Potential target	Raw	Global	Species
Entamoeba histolytica	phenylalanyl-tRNA synthetase alpha subunit, putative	0.0315	0.2069	1
Loa Loa (eye worm)	hypothetical protein	0.0043	0.0121	0.0092
Schistosoma mansoni	phenylalanyl-tRNA synthetase subunit alpha	0.0106	0.0574	0.211
Echinococcus granulosus	phenylalanyl tRNA synthetase	0.0156	0.0927	0.2587
Schistosoma mansoni	phenylalanyl-tRNA synthetase subunit alpha	0.0315	0.2069	1
Echinococcus granulosus	neuropeptide receptor A26	0.0492	0.3343	1
Giardia lamblia	Phenylalanyl-tRNA synthetase alpha chain	0.0315	0.2069	1
Toxoplasma gondii	phenylalanyl-tRNA synthetase alpha chain A, putative	0.0315	0.2069	1
Plasmodium vivax	phenylalanine--tRNA ligase, putative	0.0156	0.0927	0.439
Loa Loa (eye worm)	mbt repeat family protein	0.0051	0.0174	0.0363
Echinococcus granulosus	bromodomain adjacent to zinc finger domain	0.0064	0.0266	0.0557
Entamoeba histolytica	phosphofructokinase, putative	0.0116	0.064	0.2979
Echinococcus multilocularis	guanine nucleotide binding protein G(s) subunit	0.0055	0.0206	0.0374
Loa Loa (eye worm)	6-phosphofructokinase	0.0116	0.064	0.2734
Loa Loa (eye worm)	hypothetical protein	0.0315	0.2069	1
Plasmodium falciparum	phenylalanine--tRNA ligase alpha subunit	0.0315	0.2069	1
Echinococcus granulosus	suppression of tumorigenicity 18 protein	0.0058	0.0225	0.0431
Entamoeba histolytica	phosphofructokinase, putative	0.0116	0.064	0.2979
Echinococcus multilocularis	bromodomain adjacent to zinc finger domain	0.0064	0.0266	0.0557
Echinococcus granulosus	guanine nucleotide binding protein Gs subunit	0.0055	0.0206	0.0374
Echinococcus multilocularis	phenylalanyl tRNA synthetase alpha chain B	0.0315	0.2069	0.6089
Echinococcus granulosus	phenylalanyl tRNA synthetase alpha chain B	0.0315	0.2069	0.6089
Loa Loa (eye worm)	MBCTL1	0.0058	0.0225	0.0619
Brugia malayi	6-phosphofructokinase	0.0116	0.064	0.3095
Echinococcus granulosus	guanine nucleotide binding protein Gs subunit	0.0055	0.0206	0.0374
Mycobacterium ulcerans	phenylalanyl-tRNA synthetase subunit alpha	0.142	1	1
Brugia malayi	6-phosphofructokinase	0.0116	0.064	0.3095
Trichomonas vaginalis	phenylalanyl-tRNA synthetase alpha chain, putative	0.0106	0.0574	0.2654
Brugia malayi	Bromodomain containing protein	0.008	0.0383	0.185
Trypanosoma brucei	phenylalanyl-tRNA synthetase alpha chain, putative	0.0315	0.2069	1
Loa Loa (eye worm)	hypothetical protein	0.0045	0.0136	0.0166
Brugia malayi	phenylalanyl-tRNA synthetase, mitochondrial precursor, putative	0.0156	0.0927	0.4483
Schistosoma mansoni	hypothetical protein	0.0205	0.1279	0.5829
Trichomonas vaginalis	phenylalanyl-tRNA synthetase alpha chain, putative	0.0106	0.0574	0.2654
Echinococcus multilocularis	neuropeptide receptor A26	0.0492	0.3343	1
Schistosoma mansoni	phenylalanyl-tRNA synthetase mitochondrial	0.0156	0.0927	0.3975
Schistosoma mansoni	hypothetical protein	0.0309	0.2026	0.9772
Loa Loa (eye worm)	6-phosphofructokinase	0.0116	0.064	0.2734
Mycobacterium tuberculosis	Probable phenylalanyl-tRNA synthetase, alpha chain PheS	0.142	1	1
Echinococcus multilocularis	suppression of tumorigenicity 18 protein	0.0058	0.0225	0.0431
Treponema pallidum	phenylalanyl-tRNA synthetase subunit alpha	0.0315	0.2069	1
Brugia malayi	C2-HC type zinc finger protein C.e-MyT1	0.0058	0.0225	0.1086
Schistosoma mansoni	myelin transcription factor 1 myt1	0.0058	0.0225	0.0266
Echinococcus multilocularis	phenylalanyl tRNA synthetase	0.0156	0.0927	0.2587
Trichomonas vaginalis	phosphofructokinase, putative	0.0116	0.064	0.2979
Schistosoma mansoni	hypothetical protein	0.0205	0.1279	0.5829
Brugia malayi	Bromodomain containing protein	0.0041	0.0102	0.0495
Loa Loa (eye worm)	hypothetical protein	0.0075	0.035	0.1258
Entamoeba histolytica	phosphofructokinase, putative	0.0116	0.064	0.2979
Loa Loa (eye worm)	hypothetical protein	0.0058	0.0225	0.0619
Loa Loa (eye worm)	phosphofructokinase	0.0116	0.064	0.2734
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.0055	0.0206	0.0169
Leishmania major	phenylalanyl-tRNA synthetase alpha chain, putative	0.0315	0.2069	1
Echinococcus multilocularis	endonuclease exonuclease phosphatase	0.02	0.1246	0.3565
Brugia malayi	phosphofructokinase	0.0116	0.064	0.3095
Trichomonas vaginalis	phenylalanyl-tRNA synthetase alpha chain, putative	0.0315	0.2069	1
Trypanosoma cruzi	phenylalanyl-tRNA synthetase alpha chain, putative	0.0315	0.2069	1
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.0055	0.0206	0.0169
Brugia malayi	GTP-binding regulatory protein Gs alpha-S chain, putative	0.0055	0.0206	0.0996
Mycobacterium leprae	Probable phenylalanyl-tRNA synthetase, alpha chain PheS	0.0208	0.1304	1
Trichomonas vaginalis	phosphofructokinase, putative	0.0116	0.064	0.2979
Echinococcus multilocularis	neuropeptide s receptor	0.0492	0.3343	1
Schistosoma mansoni	6-phosphofructokinase	0.0116	0.064	0.246
Echinococcus granulosus	polycomb protein SCMH1	0.0051	0.0174	0.0276
Echinococcus granulosus	neuropeptide s receptor	0.0492	0.3343	1
Loa Loa (eye worm)	hypothetical protein	0.0051	0.0174	0.0363
Echinococcus multilocularis	histone acetyltransferase MYST2	0.0058	0.0225	0.0431
Schistosoma mansoni	6-phosphofructokinase	0.0116	0.064	0.246
Brugia malayi	phenylalanyl (f) trna synthetase protein 1	0.0315	0.2069	1
Plasmodium falciparum	phenylalanine--tRNA ligase	0.0156	0.0927	0.439
Onchocerca volvulus		0.0051	0.0174	0.5
Trichomonas vaginalis	phosphofructokinase, putative	0.0116	0.064	0.2979
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.0055	0.0206	0.0169
Trichomonas vaginalis	phosphofructokinase, putative	0.0116	0.064	0.2979
Plasmodium falciparum	phenylalanine--tRNA ligase	0.0125	0.0704	0.3291
Plasmodium vivax	phenylalanine--tRNA ligase, putative	0.0106	0.0574	0.2654
Onchocerca volvulus	Polycomb protein Sfmbt homolog	0.0051	0.0174	0.5
Loa Loa (eye worm)	GTP-binding regulatory protein Gs alpha-S chain	0.0055	0.0206	0.0525
Echinococcus granulosus	histone acetyltransferase MYST2	0.0058	0.0225	0.0431
Echinococcus granulosus	6 phosphofructokinase	0.0116	0.064	0.1706
Plasmodium vivax	phenylalanine--tRNA ligase alpha subunit, putative	0.0315	0.2069	1
Echinococcus granulosus	SAM and MBT domain containing protein	0.0051	0.0174	0.0276
Echinococcus multilocularis	geminin	0.0205	0.1279	0.3664
Echinococcus granulosus	geminin	0.0205	0.1279	0.3664
Echinococcus multilocularis	polycomb protein SCMH1	0.0051	0.0174	0.0276
Echinococcus multilocularis	SAM and MBT domain containing protein	0.0051	0.0174	0.0276
Toxoplasma gondii	Ferredoxin-fold anticodon binding domain-containing protein	0.0156	0.0927	0.439
Echinococcus granulosus	endonuclease exonuclease phosphatase	0.02	0.1246	0.3565
Echinococcus multilocularis	guanine nucleotide binding protein G(s) subunit	0.0055	0.0206	0.0374
Brugia malayi	mbt repeat family protein	0.0051	0.0174	0.0842
Brugia malayi	mbt repeat family protein	0.0051	0.0174	0.0842
Loa Loa (eye worm)	phenylalanyl-tRNA synthetase	0.0156	0.0927	0.4194
Treponema pallidum	diphosphate--fructose-6-phosphate 1-phosphotransferase	0.0116	0.064	0.2979
Schistosoma mansoni	bromodomain containing protein	0.0067	0.0293	0.0628
Echinococcus multilocularis	6 phosphofructokinase	0.0116	0.064	0.1706
Wolbachia endosymbiont of Brugia malayi	phenylalanyl-tRNA synthetase subunit alpha	0.142	1	0.5

Activities

Activity type	Activity value	Assay description	Source	Reference
Potency (functional)	0.8199 uM	PubChem BioAssay. A quantitative high throughput screen for small molecules that induce DNA re-replication in SW480 colon adenocarcinoma cells. (Class of assay: confirmatory)	ChEMBL.	No reference
Potency (functional)	1.4125 uM	PubChem BioAssay. qHTS for Agonist of gsp, the Etiologic Mutation Responsible for Fibrous Dysplasia/McCune-Albright Syndrome: qHTS. (Class of assay: confirmatory)	ChEMBL.	No reference
Potency (functional)	8.2753 uM	PUBCHEM_BIOASSAY: Primary qHTS for delayed death inhibitors of the malarial parasite plastid, 96 hour incubation. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID488745, AID488752, AID488774, AID504848, AID504850]	ChEMBL.	No reference
Potency (binding)	= 25.1189 um	PUBCHEM_BIOASSAY: qHTS Assay for Identification of Novel General Anesthetics. In this assay, a GABAergic mimetic model system, apoferritin and a profluorescent 1-aminoanthracene ligand (1-AMA), was used to construct a competitive binding assay for identification of novel general anesthetics (Class of assay: confirmatory) [Related pubchem assays: 2385 (Probe Development Summary for Identification of Novel General Anesthetics), 2323 (Validation apoferritin assay run on SigmaAldrich LOPAC1280 collection)]	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: CHEMBL1506386

Bibliographic References

No literature references available for this target.

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Detailed information for compound 1370593