Detailed information for compound 1636506

Basic information

Technical information
  • TDR Targets ID: 1636506
  • Name: 2-[2-(2,6-dichlorophenyl)ethyl]-1-methylimida zole hydrochloride
  • MW: 291.604 | Formula: C12H13Cl3N2
  • H donors: 0 H acceptors: 1 LogP: 4.32 Rotable bonds: 3
    Rule of 5 violations (Lipinski): 1
  • SMILES: Clc1cccc(c1CCc1nccn1C)Cl.Cl
  • InChi: 1S/C12H12Cl2N2.ClH/c1-16-8-7-15-12(16)6-5-9-10(13)3-2-4-11(9)14;/h2-4,7-8H,5-6H2,1H3;1H
  • InChiKey: NNUGCQCPVCGXQB-UHFFFAOYSA-N  

Network

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Synonyms

  • 2-[2-(2,6-dichlorophenyl)ethyl]-1-methyl-imidazole hydrochloride
  • NSC651921

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

Obtained from network model

Ranking Plot


Putative Targets List


Species Potential target Raw Global Species
Schistosoma mansoni rhodopsin-like orphan GPCR 0.0071 0.0015 0.0015
Schistosoma mansoni rhodopsin-like orphan GPCR 0.0071 0.0015 0.0015
Schistosoma mansoni peptide (FMRFamide/somatostatin)-like receptor 0.0071 0.0015 0.0015
Schistosoma mansoni biogenic amine (5HT) receptor 0.0071 0.0015 0.0015
Schistosoma mansoni potassium-dependent sodium-calcium exchanger 3 4 0.0315 0.0212 0.0212
Schistosoma mansoni amine GPCR 0.0071 0.0015 0.0015
Brugia malayi serine/threonine-protein kinase plk-2 0.0102 0.004 0.0064
Schistosoma mansoni sodium/calcium exchanger 1.2484 1 1
Schistosoma mansoni peptide (allatostatin/somatostatin)-like receptor 0.0071 0.0015 0.0015
Echinococcus multilocularis sodium:potassium:calcium exchanger 6 0.0315 0.0212 0.0197
Brugia malayi MH2 domain containing protein 0.0133 0.0065 0.0127
Schistosoma mansoni hypothetical protein 0.0071 0.0015 0.0015
Schistosoma mansoni growth hormone secretagogue receptor 0.0071 0.0015 0.0015
Trichomonas vaginalis alpha-L-fucosidase, putative 0.2202 0.1729 1
Schistosoma mansoni amine GPCR 0.0071 0.0015 0.0015
Schistosoma mansoni biogenic amine (5HT) receptor 0.0071 0.0015 0.0015
Trichomonas vaginalis alpha-L-fucosidase, putative 0.2202 0.1729 1
Schistosoma mansoni opsin-like receptor 0.0071 0.0015 0.0015
Schistosoma mansoni myosin xvIII 0.0071 0.0015 0.0015
Brugia malayi K+-dependent Na+/Ca+ exchanger related-protein 0.0315 0.0212 0.0496
Schistosoma mansoni rhodopsin-like orphan GPCR 0.0071 0.0015 0.0015
Brugia malayi Sodium/calcium exchanger protein 0.4994 0.3975 1
Schistosoma mansoni serine/threonine protein kinase 0.0102 0.004 0.004
Schistosoma mansoni ancient conserved domain protein 2 (cyclin m2) 0.0071 0.0015 0.0015
Loa Loa (eye worm) Na/Ca eXchangers family member 0.0315 0.0212 0.0197
Schistosoma mansoni peptide (FMRFamide/somatostatin)-like receptor 0.0071 0.0015 0.0015
Onchocerca volvulus Serine\/threonine kinase homolog 0.0102 0.004 0.1282
Schistosoma mansoni biogenic amine (dopamine) receptor 0.0071 0.0015 0.0015
Schistosoma mansoni biogenic amine (dopamine) receptor 0.0071 0.0015 0.0015
Trypanosoma cruzi polo-like protein kinase, putative 0.0102 0.004 0.5
Loa Loa (eye worm) hypothetical protein 0.0315 0.0212 0.0197
Loa Loa (eye worm) hypothetical protein 0.0315 0.0212 0.0197
Schistosoma mansoni biogenic amine (dopamine) receptor 0.0071 0.0015 0.0015
Schistosoma mansoni biogenic amine (octopamine/dopamine) receptor 0.0071 0.0015 0.0015
Trypanosoma cruzi polo-like protein kinase, putative 0.0102 0.004 0.5
Schistosoma mansoni neuropeptide receptor 0.0071 0.0015 0.0015
Schistosoma mansoni neuropeptide F-like receptor 0.0071 0.0015 0.0015
Entamoeba histolytica sodium/calcium exchanger protein, putative 0.0315 0.0212 1
Loa Loa (eye worm) hypothetical protein 0.4994 0.3975 0.3966
Echinococcus granulosus serine:threonine protein kinase PLK1 0.0102 0.004 0.0025
Schistosoma mansoni biogenic amine receptor 0.0071 0.0015 0.0015
Schistosoma mansoni na/ca exchanger 0.0315 0.0212 0.0212
Plasmodium vivax cation/H+ antiporter, putative 0.0315 0.0212 0.5
Schistosoma mansoni hypothetical protein 0.0071 0.0015 0.0015
Schistosoma mansoni opsin-like receptor 0.0071 0.0015 0.0015
Schistosoma mansoni neuropeptide receptor 0.0071 0.0015 0.0015
Schistosoma mansoni thyrotropin-releasing hormone receptor 0.0071 0.0015 0.0015
Treponema pallidum hypothetical protein 0.0315 0.0212 0.5
Schistosoma mansoni hypothetical protein 0.0071 0.0015 0.0015
Schistosoma mansoni neuropeptide F-like receptor 0.0071 0.0015 0.0015
Schistosoma mansoni rhodopsin-like orphan GPCR 0.0071 0.0015 0.0015
Schistosoma mansoni rhodopsin-like orphan GPCR 0.0071 0.0015 0.0015
Brugia malayi Na/Ca eXchangers family member (ncx-4) 0.0315 0.0212 0.0496
Schistosoma mansoni peptide (FMRFamide/neurokinin-3)-like receptor 0.0071 0.0015 0.0015
Schistosoma mansoni histamine-responsive GPCR (AAF21638) 0.0071 0.0015 0.0015
Leishmania major protein kinase, putative,polo-like protein kinase, putative 0.0102 0.004 0.5
Loa Loa (eye worm) MH2 domain-containing protein 0.0133 0.0065 0.005
Schistosoma mansoni peptide (allatostatin)-like receptor 0.0071 0.0015 0.0015
Loa Loa (eye worm) hypothetical protein 0.0315 0.0212 0.0197
Schistosoma mansoni potassium-dependent sodium-calcium exchanger 3 4 0.0315 0.0212 0.0212
Schistosoma mansoni adenoreceptor 0.0071 0.0015 0.0015
Giardia lamblia Kinase, PLK 0.0102 0.004 0.5
Loa Loa (eye worm) transcription factor SMAD2 0.0133 0.0065 0.005
Schistosoma mansoni hypothetical protein 0.0315 0.0212 0.0212
Echinococcus multilocularis serine:threonine protein kinase PLK1 0.0102 0.004 0.0025
Schistosoma mansoni biogenic amine receptor 0.0071 0.0015 0.0015
Schistosoma mansoni rhodopsin-like orphan GPCR 0.0071 0.0015 0.0015
Loa Loa (eye worm) PLK/PLK1 protein kinase 0.0102 0.004 0.0025
Echinococcus multilocularis sodium calcium exchanger 1.2484 1 1
Schistosoma mansoni rhodopsin-like orphan GPCR 0.0071 0.0015 0.0015
Plasmodium falciparum cation/H+ antiporter 0.0315 0.0212 0.5
Mycobacterium leprae Probable ionic transporter integral membrane protein ChaA 0.0315 0.0212 0.5
Echinococcus granulosus sodium:potassium:calcium exchanger 6 0.0315 0.0212 0.0197
Schistosoma mansoni amine GPCR 0.0071 0.0015 0.0015
Onchocerca volvulus Sodium\/potassium\/calcium exchanger 0.0315 0.0212 1
Trichomonas vaginalis conserved hypothetical protein 0.0315 0.0212 0.1014
Echinococcus granulosus sodium:potassium:calcium exchanger 0.0315 0.0212 0.0197
Schistosoma mansoni alpha-1 adrenergic receptor 0.0071 0.0015 0.0015
Schistosoma mansoni amine GPCR 0.0071 0.0015 0.0015
Schistosoma mansoni histamine h1 receptor 0.0071 0.0015 0.0015
Schistosoma mansoni neuropeptide receptor 0.0071 0.0015 0.0015
Loa Loa (eye worm) solute carrier family 8 1.2484 1 1
Trypanosoma brucei polo-like protein kinase 0.0102 0.004 0.5
Schistosoma mansoni neuropeptide f receptor 76f 0.0071 0.0015 0.0015
Schistosoma mansoni biogenic amine receptor 0.0071 0.0015 0.0015
Schistosoma mansoni rhodopsin-like orphan GPCR 0.0071 0.0015 0.0015
Schistosoma mansoni rhodopsin-like orphan GPCR 0.0071 0.0015 0.0015
Schistosoma mansoni neuropeptide receptor 0.0071 0.0015 0.0015
Schistosoma mansoni hypothetical protein 0.0071 0.0015 0.0015
Schistosoma mansoni amine GPCR 0.0071 0.0015 0.0015
Trichomonas vaginalis conserved hypothetical protein 0.0315 0.0212 0.1014
Toxoplasma gondii manganese resistance 1 protein, putative 0.0315 0.0212 0.5
Schistosoma mansoni opsin-like receptor 0.0071 0.0015 0.0015
Echinococcus multilocularis sodium:potassium:calcium exchanger 0.0315 0.0212 0.0197
Trichomonas vaginalis conserved hypothetical protein 0.0315 0.0212 0.1014
Schistosoma mansoni muscarinic acetylcholine (GAR) receptor 0.0071 0.0015 0.0015
Mycobacterium tuberculosis Probable ionic transporter integral membrane protein ChaA 0.0315 0.0212 0.5

Activities

Activity type Activity value Assay description Source Reference
GI50 (functional) -4.283 PUBCHEM_BIOASSAY: NCI human tumor cell line growth inhibition assay. Data for the HOP-92 Non-Small Cell Lung cell line. (Class of assay: confirmatory) ChEMBL. No reference
GI50 (functional) -4.147 PUBCHEM_BIOASSAY: NCI human tumor cell line growth inhibition assay. Data for the UO-31 Renal cell line. (Class of assay: confirmatory) ChEMBL. No reference
GI50 (functional) -4 PUBCHEM_BIOASSAY: NCI human tumor cell line growth inhibition assay. Data for the SN12C Renal cell line. (Class of assay: confirmatory) ChEMBL. No reference
GI50 (functional) -4 PUBCHEM_BIOASSAY: NCI human tumor cell line growth inhibition assay. Data for the NCI-H23 Non-Small Cell Lung cell line. (Class of assay: confirmatory) ChEMBL. No reference
GI50 (functional) -4 PUBCHEM_BIOASSAY: NCI human tumor cell line growth inhibition assay. Data for the ACHN Renal cell line. (Class of assay: confirmatory) ChEMBL. No reference
GI50 (functional) -4 PUBCHEM_BIOASSAY: NCI human tumor cell line growth inhibition assay. Data for the HL-60(TB) Leukemia cell line. (Class of assay: confirmatory) ChEMBL. No reference
GI50 (functional) -4 PUBCHEM_BIOASSAY: NCI human tumor cell line growth inhibition assay. Data for the SF-539 Central Nervous System cell line. (Class of assay: confirmatory) ChEMBL. No reference
GI50 (functional) -4 PUBCHEM_BIOASSAY: NCI human tumor cell line growth inhibition assay. Data for the SK-MEL-5 Melanoma cell line. (Class of assay: confirmatory) ChEMBL. No reference
GI50 (functional) -4 PUBCHEM_BIOASSAY: NCI human tumor cell line growth inhibition assay. Data for the MALME-3M Melanoma cell line. (Class of assay: confirmatory) 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

Bibliographic References

No literature references available for this target.

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