Detailed information for compound 1616323

Basic information

Technical information
  • TDR Targets ID: 1616323
  • Name: N-[2-(4-bromophenyl)ethyl]-N',N'-diethyl-N-me thylethane-1,2-diamine hydrobromide
  • MW: 394.188 | Formula: C15H26Br2N2
  • H donors: 0 H acceptors: 0 LogP: 4.65 Rotable bonds: 8
    Rule of 5 violations (Lipinski): 1
  • SMILES: CCN(CCN(CCc1ccc(cc1)Br)C)CC.Br
  • InChi: 1S/C15H25BrN2.BrH/c1-4-18(5-2)13-12-17(3)11-10-14-6-8-15(16)9-7-14;/h6-9H,4-5,10-13H2,1-3H3;1H
  • InChiKey: ZVHUXXMTLVTKCN-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

  • N-[2-(4-bromophenyl)ethyl]-N',N'-diethyl-N-methyl-ethane-1,2-diamine hydrobromide
  • 2-(4-bromophenyl)ethyl-(2-diethylaminoethyl)-methyl-amine hydrobromide
  • NSC665370

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
Trichomonas vaginalis PIKK family atypical protein kinase 0.2277 0.0663 0.1248
Trichomonas vaginalis PIKK family atypical protein kinase 0.2011 0.0472 0.0671
Leishmania major target of rapamycin (TOR) kinase 1, putative 0.2999 0.118 1
Trypanosoma cruzi target of rapamycin kinase 3 0.2425 0.0768 0.1243
Schistosoma mansoni phosphatidylinositol-45-bisphosphate 3-kinase catalytic subunit alpha PI3K 1.173 0.7432 0.7258
Trichomonas vaginalis PIKK family atypical protein kinase 0.2999 0.118 0.281
Trypanosoma cruzi Phosphatidylinositol 3-kinase tor1 0.2999 0.118 0.2533
Entamoeba histolytica phosphatidylinositol 3-kinase, putative 0.6322 0.3559 1
Trypanosoma cruzi phosphatidylinositol 3-kinase 2, putative 0.6322 0.3559 1
Echinococcus multilocularis phosphatidylinositol 4 phosphate 3 kinase C2 0.4159 0.201 0.0941
Trichomonas vaginalis phosphatidylinositol 3-kinase class, putative 0.2236 0.0633 0.1157
Leishmania major target of rapamycin (TOR) kinase 2, putative 0.2999 0.118 1
Trypanosoma brucei phosphatidylinositol 4-kinase, putative 0.2999 0.118 1
Loa Loa (eye worm) hypothetical protein 0.6127 0.3419 0.3165
Trichomonas vaginalis phosphatidylinositol 3-kinase catalytic subunit alpha, beta, delta, putative 0.4399 0.2182 0.5839
Trichomonas vaginalis PIKK family atypical protein kinase 0.2999 0.118 0.281
Trichomonas vaginalis phosphatidylinositol 3-kinase catalytic subunit alpha, beta, delta, putative 0.2236 0.0633 0.1157
Trichomonas vaginalis PIKK family atypical protein kinase 0.2072 0.0515 0.0803
Trichomonas vaginalis PIKK family atypical protein kinase 0.1849 0.0356 0.032
Entamoeba histolytica phosphatidylinositol 3-kinase, putative 0.5068 0.2661 0.6931
Giardia lamblia Phosphoinositide-3-kinase, catalytic, alpha polypeptide 0.3145 0.1284 1
Entamoeba histolytica FKBP-rapamycin associated protein (FRAP), putative 0.2999 0.118 0.1869
Trichomonas vaginalis PIKK family atypical protein kinase 0.2423 0.0767 0.1562
Trichomonas vaginalis phosphatidylinositol 3-kinase catalytic subunit gamma, putative 0.6322 0.3559 1
Trichomonas vaginalis phosphatidylinositol 3-kinase class, putative 0.4399 0.2182 0.5839
Trichomonas vaginalis phosphatidylinositol kinase, putative 0.6322 0.3559 1
Echinococcus granulosus phosphatidylinositol 45 bisphosphate 3 kinase 1.173 0.7432 0.7088
Trichomonas vaginalis PIKK family atypical protein kinase 0.2277 0.0663 0.1248
Trichomonas vaginalis PIKK family atypical protein kinase 0.1703 0.0251 0.0005
Entamoeba histolytica phosphatidylinositol 3-kinase, putative 0.2905 0.1112 0.1637
Trichomonas vaginalis PIKK family atypical protein kinase 0.2423 0.0767 0.1562
Trichomonas vaginalis phopsphatidylinositol 3-kinase, drosophila, putative 0.6322 0.3559 1
Trichomonas vaginalis PIKK family atypical protein kinase 0.2277 0.0663 0.1248
Brugia malayi Phosphatidylinositol 3- and 4-kinase family protein 0.2999 0.118 0.1869
Echinococcus granulosus phosphatidylinositol 4 phosphate 3 kinase C2 0.4159 0.201 0.0941
Echinococcus multilocularis phosphatidylinositol 4,5 bisphosphate 3 kinase 1.173 0.7432 0.7088
Toxoplasma gondii target of rapamycin (TOR), putative 0.2277 0.0663 0.5
Trichomonas vaginalis PIKK family atypical protein kinase 0.1703 0.0251 0.0005
Trichomonas vaginalis PIKK family atypical protein kinase 0.2587 0.0885 0.1918
Loa Loa (eye worm) phosphatidylinositol 3 1.0476 0.6534 0.64
Schistosoma mansoni ataxia telangiectasia mutated (atm)-related 0.2999 0.118 0.0584
Brugia malayi Phosphatidylinositol 3- and 4-kinase family protein 0.6322 0.3559 1
Trichomonas vaginalis PIKK family atypical protein kinase 0.1849 0.0356 0.032
Trichomonas vaginalis PIKK family atypical protein kinase 0.2423 0.0767 0.1562
Loa Loa (eye worm) hypothetical protein 0.4159 0.201 0.1701
Trichomonas vaginalis phosphatidylinositol kinase, putative 0.2236 0.0633 0.1157
Trichomonas vaginalis PIKK family atypical protein kinase 0.1865 0.0368 0.0356
Trichomonas vaginalis PIKK family atypical protein kinase 0.2277 0.0663 0.1248
Trichomonas vaginalis alpha-L-fucosidase, putative 0.2702 0.0966 0.2166
Entamoeba histolytica phosphatidylinositol 3-kinase 1, putative 0.5958 0.3299 0.911
Trypanosoma brucei phosphatidylinositol 3-kinase, putative 0.2236 0.0633 0.5364
Loa Loa (eye worm) hypothetical protein 0.2163 0.0581 0.0217
Trypanosoma brucei phosphatidylinositol 3-kinase tor, putative 0.1514 0.0116 0.0985
Trypanosoma cruzi phosphatidylinositol 3-kinase vps34-like 0.2236 0.0633 0.0817
Trichomonas vaginalis PIKK family atypical protein kinase 0.2277 0.0663 0.1248
Trichomonas vaginalis PIKK family atypical protein kinase 0.2277 0.0663 0.1248
Trichomonas vaginalis PIKK family atypical protein kinase 0.1703 0.0251 0.0005
Brugia malayi phosphoinositide 3'-hydroxykinase p110-alpha subunit, putative 0.5408 0.2905 0.7764
Trichomonas vaginalis PIKK family atypical protein kinase 0.1703 0.0251 0.0005
Giardia lamblia GTOR 0.2999 0.118 0.9047
Trichomonas vaginalis PIKK family atypical protein kinase 0.2423 0.0767 0.1562
Entamoeba histolytica phosphatidylinositol3-kinaseTor2, putative 0.2999 0.118 0.1869
Trypanosoma cruzi Phosphatidylinositol 3-kinase tor2 0.2999 0.118 0.2533
Trypanosoma brucei target of rapamycin kinase 3, putative 0.2425 0.0768 0.6514
Trichomonas vaginalis PIKK family atypical protein kinase 0.2277 0.0663 0.1248
Trypanosoma brucei Phosphatidylinositol 3-kinase tor1 0.2999 0.118 1
Brugia malayi Phosphatidylinositol 3- and 4-kinase family protein 0.4159 0.201 0.4706
Brugia malayi Sodium/calcium exchanger protein 0.6127 0.3419 0.9523
Entamoeba histolytica hypothetical protein 0.5068 0.2661 0.6931
Trichomonas vaginalis PIKK family atypical protein kinase 0.1865 0.0368 0.0356
Trypanosoma cruzi phosphatidylinositol 3-kinase 2, putative 0.6322 0.3559 1
Trichomonas vaginalis PIKK family atypical protein kinase 0.2423 0.0767 0.1562
Trichomonas vaginalis PIKK family atypical protein kinase 0.2999 0.118 0.281
Loa Loa (eye worm) phosphatidylinositol 3 0.2999 0.118 0.0838
Trichomonas vaginalis alpha-L-fucosidase, putative 0.2702 0.0966 0.2166
Trichomonas vaginalis PIKK family atypical protein kinase 0.1865 0.0368 0.0356

Activities

Activity type Activity value Assay description Source Reference
GI50 (functional) -4.765 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) -4.563 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) -4.527 PUBCHEM_BIOASSAY: NCI human tumor cell line growth inhibition assay. Data for the MDA-N Breast cell line. (Class of assay: confirmatory) ChEMBL. No reference
GI50 (functional) -4.512 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) -4.077 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 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 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 DU-145 Prostate 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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