Detailed information for compound 14820

Basic information

Technical information
  • TDR Targets ID: 14820
  • Name: N-[4-(3-piperidin-1-ylpropoxy)phenyl]quinolin -4-amine
  • MW: 361.48 | Formula: C23H27N3O
  • H donors: 1 H acceptors: 1 LogP: 4.94 Rotable bonds: 7
    Rule of 5 violations (Lipinski): 1
  • SMILES: C1CCN(CC1)CCCOc1ccc(cc1)Nc1ccnc2c1cccc2
  • InChi: 1S/C23H27N3O/c1-4-15-26(16-5-1)17-6-18-27-20-11-9-19(10-12-20)25-23-13-14-24-22-8-3-2-7-21(22)23/h2-3,7-14H,1,4-6,15-18H2,(H,24,25)
  • InChiKey: ONLSHDMBVNRMPI-UHFFFAOYSA-N  

Network

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Synonyms

  • N-[4-[3-(1-piperidyl)propoxy]phenyl]quinolin-4-amine
  • N-[4-[3-(1-piperidyl)propoxy]phenyl]-4-quinolinamine
  • [4-(3-piperidinopropoxy)phenyl]-(4-quinolyl)amine

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Cavia porcellus Histamine H3 receptor Starlite/ChEMBL References
Cavia porcellus Histamine H1 receptor Starlite/ChEMBL References
Rattus norvegicus Histamine N-methyltransferase Starlite/ChEMBL References
Homo sapiens histamine receptor H3 Starlite/ChEMBL References

Predicted pathogen targets for this compound

By orthology
No druggable targets predicted by orthology data
By sequence similarity to non orthologous known druggable targets
Species Potential target Known druggable target Length Alignment span Identity
Schistosoma japonicum ko:K04145 dopamine receptor D2, putative Histamine H1 receptor   488 aa 470 aa 26.0 %
Echinococcus multilocularis alpha 1A adrenergic receptor Histamine H1 receptor   488 aa 454 aa 19.4 %
Schistosoma japonicum Octopamine receptor, putative Histamine H1 receptor   488 aa 472 aa 25.8 %
Loa Loa (eye worm) hypothetical protein Histamine H3 receptor   445 aa 386 aa 23.1 %
Schistosoma mansoni ancient conserved domain protein 2 (cyclin m2) Histamine H1 receptor   488 aa 463 aa 26.6 %
Schistosoma mansoni biogenic amine receptor Histamine H1 receptor   488 aa 487 aa 25.5 %
Echinococcus multilocularis serotonin receptor Histamine H1 receptor   488 aa 450 aa 26.0 %
Echinococcus multilocularis neuropeptides capa receptor Histamine H3 receptor   445 aa 441 aa 20.4 %
Onchocerca volvulus Glycoprotein hormone beta 5 homolog Histamine H1 receptor   488 aa 482 aa 25.1 %
Echinococcus granulosus biogenic amine 5HT receptor Histamine H1 receptor   488 aa 484 aa 26.9 %
Echinococcus granulosus alpha 1A adrenergic receptor Histamine H1 receptor   488 aa 455 aa 19.1 %
Loa Loa (eye worm) TYRA-2 protein Histamine H1 receptor   488 aa 489 aa 23.7 %
Schistosoma mansoni muscarinic acetylcholine (GAR) receptor Histamine H1 receptor   488 aa 488 aa 26.6 %
Schistosoma mansoni biogenic amine (dopamine) receptor Histamine H1 receptor   488 aa 498 aa 26.1 %
Onchocerca volvulus RB1-inducible coiled-coil protein 1 homolog Histamine H1 receptor   488 aa 486 aa 26.5 %
Echinococcus granulosus biogenic amine 5HT receptor Histamine H1 receptor   488 aa 455 aa 25.5 %
Schistosoma mansoni biogenic amine (dopamine) receptor Histamine H1 receptor   488 aa 471 aa 24.8 %
Echinococcus multilocularis biogenic amine (5HT) receptor Histamine H1 receptor   488 aa 485 aa 26.4 %

Obtained from network model

Ranking Plot


Putative Targets List


Species Potential target Raw Global Species
Trypanosoma cruzi glyceraldehyde 3-phosphate dehydrogenase, putative 0.0264 1 1
Chlamydia trachomatis glyceraldehyde-3-phosphate dehydrogenase 0.0264 1 0.5
Toxoplasma gondii glyceraldehyde-3-phosphate dehydrogenase GAPDH2 0.0264 1 0.5
Echinococcus granulosus glyceraldehyde 3 phosphate dehydrogenase 0.0173 0.5616 0.5616
Trichomonas vaginalis glyceraldehyde 3-phosphate dehydrogenase, putative 0.0173 0.5616 0.4737
Toxoplasma gondii glyceraldehyde-3-phosphate dehydrogenase GAPDH1 0.0264 1 0.5
Giardia lamblia Glyceraldehyde 3-phosphate dehydrogenase 0.0264 1 1
Trichomonas vaginalis glyceraldehyde 3-phosphate dehydrogenase, putative 0.0264 1 1
Schistosoma mansoni glyceraldehyde-3-phosphate dehydrogenase (phosphorylating) 0.0264 1 1
Trichomonas vaginalis glyceraldehyde 3-phosphate dehydrogenase, putative 0.0264 1 1
Trichomonas vaginalis glyceraldehyde 3-phosphate dehydrogenase, putative 0.0264 1 1
Trypanosoma cruzi glyceraldehyde 3-phosphate dehydrogenase, cytosolic, putative 0.0264 1 1
Trypanosoma cruzi glyceraldehyde-3-phosphate dehydrogenase, putative 0.0173 0.5609 0.4996
Trypanosoma cruzi glyceraldehyde 3-phosphate dehydrogenase, cytosolic, putative 0.0264 1 1
Loa Loa (eye worm) glyceraldehyde-3-phosphate dehydrogenase 0.0182 0.6061 1
Trichomonas vaginalis glyceraldehyde 3-phosphate dehydrogenase, putative 0.0264 1 1
Trypanosoma cruzi glyceraldehyde 3-phosphate dehydrogenase, putative 0.0264 1 1
Loa Loa (eye worm) glyceraldehyde-3-phosphate dehydrogenase 0.0182 0.6061 1
Echinococcus multilocularis glyceraldehyde 3 phosphate dehydrogenase 0.0173 0.5616 0.5616
Schistosoma mansoni glyceraldehyde-3-phosphate dehydrogenase (phosphorylating) 0.0264 1 1
Leishmania major glyceraldehyde-3-phosphate dehydrogenase-like protein 0.0173 0.5609 0.5609
Treponema pallidum glyceraldehyde 3-phosphate dehydrogenase (gap) 0.0264 1 0.5
Trypanosoma brucei glyceraldehyde 3-phosphate dehydrogenase, glycosomal 0.0264 1 1
Trichomonas vaginalis glyceraldehyde 3-phosphate dehydrogenase, putative 0.0264 1 1
Echinococcus granulosus glyceraldehyde 3 phosphate dehydrogenase 0.0264 1 1
Entamoeba histolytica glyceraldehyde-3-phosphate dehydrogenase, putative 0.0264 1 0.5
Echinococcus granulosus glyceraldehyde 3 phosphate dehydrogenase 0.0264 1 1
Leishmania major glyceraldehyde 3-phosphate dehydrogenase, glycosomal 0.0264 1 1
Brugia malayi Glyceraldehyde 3-phosphate dehydrogenase 0.0091 0.167 0.167
Brugia malayi glyceraldehyde 3-phosphate dehydrogenase 0.0082 0.1225 0.1225
Wolbachia endosymbiont of Brugia malayi glyceraldehyde-3-phosphate dehydrogenase, GapA 0.0264 1 0.5
Entamoeba histolytica glyceraldehyde-3-phosphate dehydrogenase, putative 0.0264 1 0.5
Plasmodium vivax glyceraldehyde-3-phosphate dehydrogenase, putative 0.0264 1 0.5
Trypanosoma brucei glyceraldehyde 3-phosphate dehydrogenase, glycosomal 0.0264 1 1
Echinococcus multilocularis glyceraldehyde 3 phosphate dehydrogenase 0.0264 1 1
Mycobacterium leprae Probable glyceraldehyde 3-phosphate dehydrogenase Gap (GAPDH) 0.0091 0.1677 0.5
Trypanosoma brucei glyceraldehyde 3-phosphate dehydrogenase, cytosolic 0.0264 1 1
Entamoeba histolytica glyceraldehyde-3-phosphate dehydrogenase, putative 0.0264 1 0.5
Schistosoma mansoni glyceraldehyde-3-phosphate dehydrogenase (phosphorylating) 0.0264 1 1
Mycobacterium ulcerans glyceraldehyde 3-phosphate dehydrogenase Gap 0.0264 1 1
Echinococcus multilocularis glyceraldehyde 3 phosphate dehydrogenase 0.0264 1 1
Mycobacterium tuberculosis Probable glyceraldehyde 3-phosphate dehydrogenase Gap (GAPDH) 0.0091 0.1677 1
Trypanosoma cruzi glyceraldehyde 3-phosphate dehydrogenase, putative 0.0264 1 1
Leishmania major glyceraldehyde 3-phosphate dehydrogenase, glycosomal 0.0264 1 1
Schistosoma mansoni glyceraldehyde-3-phosphate dehydrogenase (phosphorylating) 0.0264 1 1
Trypanosoma cruzi glyceraldehyde-3-phosphate dehydrogenase, putative 0.0173 0.5609 0.4996
Trypanosoma cruzi glyceraldehyde 3-phosphate dehydrogenase, cytosolic, putative 0.0264 1 1
Trichomonas vaginalis glyceraldehyde 3-phosphate dehydrogenase, putative 0.0173 0.5616 0.4737
Trypanosoma cruzi glyceraldehyde 3-phosphate dehydrogenase, putative 0.0264 1 1
Plasmodium falciparum glyceraldehyde-3-phosphate dehydrogenase 0.0264 1 0.5

Activities

Activity type Activity value Assay description Source Reference
IC50 (binding) = 51 nM Inhibition of rat kidney Histamine N-Methyltransferase (HMT) activity determined by the formation of N-methylhistamine ChEMBL. 11855993
IC50 (binding) = 51 nM Inhibition of rat kidney Histamine N-Methyltransferase (HMT) activity determined by the formation of N-methylhistamine ChEMBL. 11855993
Kd (binding) = 4.4 Activity at Histamine H2 receptor using functional H2 receptor assay on guinea pig atrium ChEMBL. 11855993
Kd (binding) = 5.3 Activity at Histamine H1 receptor using functional H1 receptor assay on guinea pig ileum ChEMBL. 11855993
Kd (binding) = 8.5 Activity at Histamine H3 receptor using functional H3 receptor assay on guinea pig ileum ChEMBL. 11855993
Ki (binding) = -10 Activity at Histamine H3 receptor expressed in CHO cells using [125I]-iodoproxyfan binding assay ChEMBL. 11855993
Ki (binding) = 0.091 nM Affinity for displacement of [125I]-iodoproxyfan from human histamine H3 receptors stably expressed in CHO cells ChEMBL. 11855993
Ki (binding) = 0.091 nM Affinity for displacement of [125I]-iodoproxyfan from human histamine H3 receptors stably expressed in CHO cells ChEMBL. 11855993
Ki (binding) = 0.5 nM Displacement of [3H]RAMH from human histamine H3 receptor expressed in CHO cells ChEMBL. 18606542
Log Ki (binding) = 10 Activity at Histamine H3 receptor expressed in CHO cells using [125I]-iodoproxyfan binding assay ChEMBL. 11855993
pA2 (binding) = 4.4 Activity at Histamine H2 receptor using functional H2 receptor assay on guinea pig atrium ChEMBL. 11855993
pA2 (binding) = 5.3 Activity at Histamine H1 receptor using functional H1 receptor assay on guinea pig ileum ChEMBL. 11855993
pA2 (binding) = 8.5 Activity at Histamine H3 receptor using functional H3 receptor assay on guinea pig ileum ChEMBL. 11855993

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

2 literature references were collected for this gene.

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