Detailed information for compound 209079

Basic information

Technical information
  • TDR Targets ID: 209079
  • Name: N-[4-[2-[di(propan-2-yl)amino]ethoxy]phenyl]- N'-methylbenzenecarboximidamide
  • MW: 353.501 | Formula: C22H31N3O
  • H donors: 1 H acceptors: 0 LogP: 4.64 Rotable bonds: 9
    Rule of 5 violations (Lipinski): 1
  • SMILES: CN/C(=N/c1ccc(cc1)OCCN(C(C)C)C(C)C)/c1ccccc1
  • InChi: 1S/C22H31N3O/c1-17(2)25(18(3)4)15-16-26-21-13-11-20(12-14-21)24-22(23-5)19-9-7-6-8-10-19/h6-14,17-18H,15-16H2,1-5H3,(H,23,24)
  • InChiKey: MNYLMUSMYMFXJB-UHFFFAOYSA-N  


Substructure search Similarity search

Network

Hover on a compound node to display the structore

Synonyms

  • N-[4-[2-(diisopropylamino)ethoxy]phenyl]-N'-methyl-benzamidine
  • N-[4-[2-(diisopropylamino)ethoxy]phenyl]-N'-methylbenzamidine
  • N-[4-[2-[di(propan-2-yl)amino]ethoxy]phenyl]-N'-methyl-benzenecarboximidamide
  • N-[4-[2-(di(propan-2-yl)amino)ethoxy]phenyl]-N'-methylbenzenecarboximidamide
  • N-[4-[2-(di(propan-2-yl)amino)ethoxy]phenyl]-N'-methyl-benzenecarboximidamide
  • 31118-38-4
  • BRN 2155610
  • Benzamidine, N-(p-(2-(diisopropylamino)ethoxy)phenyl)-N'-methyl-
  • N-(p-(2-(Diisopropylamino)ethoxy)phenyl)-N'-methylbenzamidine

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 neuropeptide F-like receptor 0.01 0.6272 0.6272
Schistosoma mansoni biogenic amine receptor 0.01 0.6272 0.6272
Brugia malayi hypothetical protein 0.01 0.6272 0.6272
Schistosoma mansoni opsin-like receptor 0.01 0.6272 0.6272
Brugia malayi sulfakinin receptor protein 0.01 0.6272 0.6272
Loa Loa (eye worm) hypothetical protein 0.01 0.6272 0.6272
Loa Loa (eye worm) hypothetical protein 0.01 0.6272 0.6272
Brugia malayi Tachykinin-like peptides receptor 99D 0.01 0.6272 0.6272
Loa Loa (eye worm) melatonin receptor type 1A 0.01 0.6272 0.6272
Onchocerca volvulus 0.01 0.6272 1
Schistosoma mansoni beta-12-n-acetylglucosaminyltransferase II 0.014 1 1
Loa Loa (eye worm) hypothetical protein 0.01 0.6272 0.6272
Loa Loa (eye worm) hypothetical protein 0.01 0.6272 0.6272
Schistosoma mansoni biogenic amine (dopamine) receptor 0.01 0.6272 0.6272
Onchocerca volvulus 0.01 0.6272 1
Brugia malayi G-protein coupled receptor 0.01 0.6272 0.6272
Brugia malayi hypothetical protein 0.01 0.6272 0.6272
Brugia malayi Dopamine receptor 0.01 0.6272 0.6272
Schistosoma mansoni biogenic amine receptor 0.01 0.6272 0.6272
Brugia malayi neuropeptide F receptor 0.01 0.6272 0.6272
Schistosoma mansoni neuropeptide f receptor 76f 0.01 0.6272 0.6272
Onchocerca volvulus 0.01 0.6272 1
Brugia malayi Dopamine receptor protein 1 0.01 0.6272 0.6272
Loa Loa (eye worm) hypothetical protein 0.01 0.6272 0.6272
Loa Loa (eye worm) hypothetical protein 0.01 0.6272 0.6272
Onchocerca volvulus 0.01 0.6272 1
Schistosoma mansoni opsin-like receptor 0.01 0.6272 0.6272
Loa Loa (eye worm) hypothetical protein 0.01 0.6272 0.6272
Schistosoma mansoni rhodopsin-like orphan GPCR 0.01 0.6272 0.6272
Schistosoma mansoni growth hormone secretagogue receptor 0.01 0.6272 0.6272
Schistosoma mansoni rhodopsin-like orphan GPCR 0.01 0.6272 0.6272
Brugia malayi hypothetical protein 0.01 0.6272 0.6272
Brugia malayi G protein-coupled receptor 0.01 0.6272 0.6272
Schistosoma mansoni histamine h1 receptor 0.01 0.6272 0.6272
Schistosoma mansoni alpha-1 adrenergic receptor 0.01 0.6272 0.6272
Trypanosoma brucei diacylglycerol acyltransferase, putative 0.0032 0 0.5
Schistosoma mansoni neuropeptide receptor 0.01 0.6272 0.6272
Onchocerca volvulus 0.01 0.6272 1
Brugia malayi putative neuropeptide receptor 0.01 0.6272 0.6272
Loa Loa (eye worm) hypothetical protein 0.01 0.6272 0.6272
Loa Loa (eye worm) hypothetical protein 0.01 0.6272 0.6272
Loa Loa (eye worm) neuropeptide F receptor 0.01 0.6272 0.6272
Loa Loa (eye worm) hypothetical protein 0.01 0.6272 0.6272
Loa Loa (eye worm) hypothetical protein 0.01 0.6272 0.6272
Loa Loa (eye worm) hypothetical protein 0.01 0.6272 0.6272
Brugia malayi hypothetical protein 0.01 0.6272 0.6272
Brugia malayi Serotonin receptor 0.01 0.6272 0.6272
Loa Loa (eye worm) hypothetical protein 0.01 0.6272 0.6272
Loa Loa (eye worm) hypothetical protein 0.01 0.6272 0.6272
Loa Loa (eye worm) hypothetical protein 0.01 0.6272 0.6272
Loa Loa (eye worm) hypothetical protein 0.01 0.6272 0.6272
Schistosoma mansoni opsin-like receptor 0.01 0.6272 0.6272
Echinococcus multilocularis alpha 1,6 mannosyl glycoprotein 0.014 1 1
Loa Loa (eye worm) hypothetical protein 0.01 0.6272 0.6272
Onchocerca volvulus 0.01 0.6272 1
Loa Loa (eye worm) G-protein coupled receptor 0.01 0.6272 0.6272
Schistosoma mansoni muscarinic acetylcholine (GAR) receptor 0.01 0.6272 0.6272
Loa Loa (eye worm) hypothetical protein 0.01 0.6272 0.6272
Loa Loa (eye worm) hypothetical protein 0.01 0.6272 0.6272
Brugia malayi G protein-coupled receptor F59B2.13 0.01 0.6272 0.6272
Brugia malayi Dopamine receptor protein 2 0.01 0.6272 0.6272
Onchocerca volvulus 0.01 0.6272 1
Brugia malayi Serotonin/octopamine receptor family protein 7 0.01 0.6272 0.6272
Loa Loa (eye worm) hypothetical protein 0.01 0.6272 0.6272
Schistosoma mansoni hypothetical protein 0.01 0.6272 0.6272
Loa Loa (eye worm) hypothetical protein 0.01 0.6272 0.6272
Toxoplasma gondii dgat2l1-prov protein 0.0032 0 0.5
Loa Loa (eye worm) G-protein coupled receptor 0.01 0.6272 0.6272
Brugia malayi hypothetical protein 0.01 0.6272 0.6272
Schistosoma mansoni amine GPCR 0.01 0.6272 0.6272
Brugia malayi hypothetical protein 0.01 0.6272 0.6272
Onchocerca volvulus 0.01 0.6272 1
Onchocerca volvulus 0.01 0.6272 1
Schistosoma mansoni amine GPCR 0.01 0.6272 0.6272
Loa Loa (eye worm) hypothetical protein 0.01 0.6272 0.6272
Onchocerca volvulus 0.01 0.6272 1
Brugia malayi putative neuropeptide receptor NPR1 0.01 0.6272 0.6272
Brugia malayi follicle stimulating hormone receptor 0.01 0.6272 0.6272
Schistosoma mansoni neuropeptide receptor 0.01 0.6272 0.6272
Brugia malayi hypothetical protein 0.01 0.6272 0.6272
Schistosoma mansoni adenoreceptor 0.01 0.6272 0.6272
Brugia malayi G-protein coupled receptor 0.01 0.6272 0.6272
Onchocerca volvulus 0.01 0.6272 1
Loa Loa (eye worm) follicle stimulating hormone receptor 0.01 0.6272 0.6272
Trypanosoma cruzi diacylglycerol acyltransferase, putative 0.0032 0 0.5
Schistosoma mansoni rhodopsin-like orphan GPCR 0.01 0.6272 0.6272
Schistosoma mansoni peptide (FMRFamide/somatostatin)-like receptor 0.01 0.6272 0.6272
Brugia malayi AKH receptor 0.01 0.6272 0.6272
Loa Loa (eye worm) hypothetical protein 0.01 0.6272 0.6272
Schistosoma mansoni myosin xvIII 0.01 0.6272 0.6272
Loa Loa (eye worm) hypothetical protein 0.01 0.6272 0.6272
Schistosoma mansoni rhodopsin-like orphan GPCR 0.01 0.6272 0.6272
Brugia malayi G-protein-linked acetylcholine receptor protein 2, putative 0.01 0.6272 0.6272
Loa Loa (eye worm) hypothetical protein 0.01 0.6272 0.6272
Loa Loa (eye worm) hypothetical protein 0.01 0.6272 0.6272
Loa Loa (eye worm) hypothetical protein 0.01 0.6272 0.6272
Schistosoma mansoni biogenic amine (dopamine) receptor 0.01 0.6272 0.6272
Schistosoma mansoni amine GPCR 0.01 0.6272 0.6272
Loa Loa (eye worm) gonadotropin-releasing hormone receptor 2 0.01 0.6272 0.6272
Loa Loa (eye worm) hypothetical protein 0.01 0.6272 0.6272
Schistosoma mansoni rhodopsin-like orphan GPCR 0.01 0.6272 0.6272
Schistosoma mansoni peptide (FMRFamide/neurokinin-3)-like receptor 0.01 0.6272 0.6272
Leishmania major diacylglycerol acyltransferase, putative 0.0032 0 0.5
Onchocerca volvulus 0.01 0.6272 1
Loa Loa (eye worm) hypothetical protein 0.01 0.6272 0.6272
Schistosoma mansoni ancient conserved domain protein 2 (cyclin m2) 0.01 0.6272 0.6272
Brugia malayi larval opioid receptor 0.01 0.6272 0.6272
Loa Loa (eye worm) G-protein-linked acetylcholine receptor protein 2 0.01 0.6272 0.6272
Loa Loa (eye worm) neuropeptide F receptor 0.01 0.6272 0.6272
Onchocerca volvulus Dopamine\/Ecdysteroid receptor homolog 0.01 0.6272 1
Loa Loa (eye worm) hypothetical protein 0.01 0.6272 0.6272
Loa Loa (eye worm) hypothetical protein 0.01 0.6272 0.6272
Onchocerca volvulus 0.01 0.6272 1
Brugia malayi neuropeptide F receptor 0.01 0.6272 0.6272
Schistosoma mansoni biogenic amine (octopamine/dopamine) receptor 0.01 0.6272 0.6272
Schistosoma mansoni peptide (FMRFamide/somatostatin)-like receptor 0.01 0.6272 0.6272
Schistosoma mansoni amine GPCR 0.01 0.6272 0.6272
Schistosoma mansoni rhodopsin-like orphan GPCR 0.01 0.6272 0.6272
Onchocerca volvulus Neuropeptide F receptor homolog 0.01 0.6272 1
Trypanosoma cruzi diacylglycerol acyltransferase, putative 0.0032 0 0.5
Loa Loa (eye worm) hypothetical protein 0.01 0.6272 0.6272
Loa Loa (eye worm) hypothetical protein 0.01 0.6272 0.6272
Schistosoma mansoni neuropeptide receptor 0.01 0.6272 0.6272
Brugia malayi hypothetical protein 0.01 0.6272 0.6272
Loa Loa (eye worm) hypothetical protein 0.01 0.6272 0.6272
Schistosoma mansoni neuropeptide F-like receptor 0.01 0.6272 0.6272
Brugia malayi GnHR receptor homolog 0.01 0.6272 0.6272
Schistosoma mansoni histamine-responsive GPCR (AAF21638) 0.01 0.6272 0.6272
Loa Loa (eye worm) hypothetical protein 0.01 0.6272 0.6272
Brugia malayi gonadotropin-releasing hormone receptor 2 0.01 0.6272 0.6272
Schistosoma mansoni rhodopsin-like orphan GPCR 0.01 0.6272 0.6272
Loa Loa (eye worm) hypothetical protein 0.01 0.6272 0.6272
Schistosoma mansoni neuropeptide receptor 0.01 0.6272 0.6272
Schistosoma mansoni peptide (allatostatin)-like receptor 0.01 0.6272 0.6272
Brugia malayi RE15519p 0.01 0.6272 0.6272
Loa Loa (eye worm) hypothetical protein 0.01 0.6272 0.6272
Loa Loa (eye worm) hypothetical protein 0.01 0.6272 0.6272
Schistosoma mansoni peptide (allatostatin/somatostatin)-like receptor 0.01 0.6272 0.6272
Loa Loa (eye worm) hypothetical protein 0.014 1 1
Schistosoma mansoni hypothetical protein 0.01 0.6272 0.6272
Onchocerca volvulus 0.01 0.6272 1
Echinococcus granulosus alpha 16 mannosyl glycoprotein 0.014 1 1
Loa Loa (eye worm) hypothetical protein 0.01 0.6272 0.6272
Onchocerca volvulus 0.01 0.6272 1
Schistosoma mansoni biogenic amine receptor 0.01 0.6272 0.6272
Loa Loa (eye worm) hypothetical protein 0.01 0.6272 0.6272
Brugia malayi Melatonin receptor type 1A 0.01 0.6272 0.6272
Brugia malayi ORL1-like opioid receptor 0.01 0.6272 0.6272
Loa Loa (eye worm) hypothetical protein 0.01 0.6272 0.6272
Schistosoma mansoni rhodopsin-like orphan GPCR 0.01 0.6272 0.6272
Schistosoma mansoni rhodopsin-like orphan GPCR 0.01 0.6272 0.6272
Brugia malayi hypothetical protein 0.01 0.6272 0.6272
Onchocerca volvulus 0.01 0.6272 1
Schistosoma mansoni hypothetical protein 0.01 0.6272 0.6272
Loa Loa (eye worm) unidentified vitellogenin-linked transcript protein 6 0.01 0.6272 0.6272
Brugia malayi Serotonin receptor 0.01 0.6272 0.6272
Schistosoma mansoni biogenic amine (5HT) receptor 0.01 0.6272 0.6272
Onchocerca volvulus 0.01 0.6272 1
Brugia malayi hypothetical protein 0.01 0.6272 0.6272
Loa Loa (eye worm) 5-hydroxytryptamine 2C receptor 0.01 0.6272 0.6272
Schistosoma mansoni biogenic amine (5HT) receptor 0.01 0.6272 0.6272
Brugia malayi Unidentified vitellogenin-linked transcript protein 6, putative 0.01 0.6272 0.6272
Loa Loa (eye worm) hypothetical protein 0.01 0.6272 0.6272
Brugia malayi Dopamine receptor protein 1, putative (partial) 0.01 0.6272 0.6272
Loa Loa (eye worm) TYRA-2 protein 0.01 0.6272 0.6272
Schistosoma mansoni amine GPCR 0.01 0.6272 0.6272
Schistosoma mansoni biogenic amine (dopamine) receptor 0.01 0.6272 0.6272
Loa Loa (eye worm) hypothetical protein 0.01 0.6272 0.6272
Loa Loa (eye worm) hypothetical protein 0.01 0.6272 0.6272
Schistosoma mansoni thyrotropin-releasing hormone receptor 0.01 0.6272 0.6272
Schistosoma mansoni hypothetical protein 0.01 0.6272 0.6272
Loa Loa (eye worm) hypothetical protein 0.01 0.6272 0.6272

Activities

Activity type Activity value Assay description Source Reference
Change (functional) = 13.1 % Compound was evaluated for the blood sugar lowering (hypoglycemic activity) in the glucose-primed rat at a dose of 100 mg/kg; Increase in blood sugar level ChEMBL. 7069714
LD50 (ADMET) = 112 mg kg-1 Lethality in 50% (LD50) of male and female CF-1 strain mice weighing 16-25g, intraperitoneal administration ChEMBL. 7069714
LD50 (ADMET) = 112 mg kg-1 Lethality in 50% (LD50) of male and female CF-1 strain mice weighing 16-25g, intraperitoneal administration ChEMBL. 7069714
LD50 (ADMET) = 500 mg kg-1 Dose that produces lethality in 50% (LD50) of male and female carworth farms CF-1 strain mice weighing 16-25 g oral (po) route of administration ChEMBL. 7069714
LD50 (ADMET) = 500 mg kg-1 Dose that produces lethality in 50% (LD50) of male and female carworth farms CF-1 strain mice weighing 16-25 g oral (po) route of administration ChEMBL. 7069714

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

1 literature reference was collected for this gene.

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