Detailed information for compound 13976

Basic information

Technical information
  • TDR Targets ID: 13976
  • Name: 7-chloro-N-(6-piperidin-1-ylhexyl)quinolin-4- amine
  • MW: 345.909 | Formula: C20H28ClN3
  • H donors: 1 H acceptors: 1 LogP: 5.11 Rotable bonds: 8
    Rule of 5 violations (Lipinski): 1
  • SMILES: Clc1ccc2c(c1)nccc2NCCCCCCN1CCCCC1
  • InChi: 1S/C20H28ClN3/c21-17-8-9-18-19(10-12-23-20(18)16-17)22-11-4-1-2-5-13-24-14-6-3-7-15-24/h8-10,12,16H,1-7,11,13-15H2,(H,22,23)
  • InChiKey: MZYVSWGTJQFSPP-UHFFFAOYSA-N  


Substructure search Similarity search

Network

Hover on a compound node to display the structore

Synonyms

  • 7-chloro-N-[6-(1-piperidyl)hexyl]quinolin-4-amine
  • 7-chloro-N-[6-(1-piperidyl)hexyl]-4-quinolinamine
  • (7-chloro-4-quinolyl)-(6-piperidinohexyl)amine

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Homo sapiens histamine receptor H3 Starlite/ChEMBL References
Rattus norvegicus Histamine N-methyltransferase 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
No druggable targets predicted by sequence similarity
Obtained from network model

Ranking Plot

Putative Targets List

Species Potential target Raw Global Species
Schistosoma mansoni intermediate filament proteins 0.0031 0.0629 0.0842
Loa Loa (eye worm) CMGC/MAPK/ERK1 protein kinase 0.0059 0.1835 0.1835
Loa Loa (eye worm) transcription factor SMAD2 0.0124 0.4689 0.4689
Echinococcus granulosus ribonuclease H1 0.0025 0.0384 0.0338
Brugia malayi PHD-finger family protein 0.0026 0.0404 0.0404
Schistosoma mansoni tar DNA-binding protein 0.0073 0.2458 0.3487
Schistosoma mansoni lamin 0.0031 0.0629 0.0842
Loa Loa (eye worm) hypothetical protein 0.0023 0.0272 0.0272
Schistosoma mansoni hypothetical protein 0.0095 0.3436 0.4902
Echinococcus multilocularis fetal alzheimer antigen, falz 0.0023 0.0296 0.025
Brugia malayi Nuclear hormone receptor family member nhr-1 0.0023 0.0272 0.0272
Schistosoma mansoni tar DNA-binding protein 0.0073 0.2458 0.3487
Schistosoma mansoni FTZ-F1 nuclear receptor-like protein 0.0023 0.0272 0.0325
Echinococcus granulosus retinoic acid receptor rxr beta a 0.0023 0.0272 0.0226
Trichomonas vaginalis CMGC family protein kinase 0.0059 0.1835 1
Echinococcus multilocularis nuclear receptor 2DBD gamma 0.0023 0.0272 0.0226
Echinococcus multilocularis mitogen activated protein kinase 3 0.0059 0.1835 0.1796
Trypanosoma brucei RNA helicase, putative 0.0095 0.3436 1
Echinococcus granulosus fetal alzheimer antigen falz 0.0023 0.0296 0.025
Echinococcus granulosus FTZ F1 nuclear receptor protein 0.0023 0.0272 0.0226
Trypanosoma brucei hypothetical protein, conserved 0.0028 0.0478 0.0309
Brugia malayi Muscleblind-like protein 0.0155 0.605 0.605
Loa Loa (eye worm) hypothetical protein 0.0023 0.0272 0.0272
Echinococcus granulosus bromodomain adjacent to zinc finger domain 0.0037 0.0904 0.086
Plasmodium falciparum ataxin-2 like protein, putative 0.0026 0.0417 0.5
Trypanosoma brucei ingi protein (ORF1) 0.0028 0.0478 0.0309
Loa Loa (eye worm) nuclear hormone receptor family member nhr-14 0.0023 0.0272 0.0272
Loa Loa (eye worm) hypothetical protein 0.0023 0.0272 0.0272
Schistosoma mansoni lamin 0.0031 0.0629 0.0842
Echinococcus granulosus intermediate filament protein 0.0031 0.0629 0.0585
Brugia malayi Bromodomain containing protein 0.0078 0.2676 0.2676
Echinococcus granulosus FTZ F1 alpha 0.0023 0.0272 0.0226
Trypanosoma cruzi mitogen-activated protein kinase 11, putative 0.0059 0.1835 1
Wolbachia endosymbiont of Brugia malayi ribonuclease HI 0.0025 0.0384 0.5
Echinococcus granulosus mitogen activated protein kinase 0.0059 0.1835 0.1796
Loa Loa (eye worm) PHD-finger family protein 0.0021 0.021 0.021
Loa Loa (eye worm) RNA recognition domain-containing protein domain-containing protein 0.0073 0.2458 0.2458
Brugia malayi ecdysteroid receptor 0.0023 0.0272 0.0272
Schistosoma mansoni hypothetical protein 0.0071 0.2369 0.3359
Brugia malayi RNase H family protein 0.0025 0.0384 0.0384
Brugia malayi Nuclear hormone receptor family member nhr-49 0.0023 0.0272 0.0272
Loa Loa (eye worm) hypothetical protein 0.0074 0.2482 0.2482
Brugia malayi Nuclear hormone receptor family member nhr-31 0.0023 0.0272 0.0272
Toxoplasma gondii CMGC kinase, MAPK family (ERK) MAPK-1 0.0059 0.1835 1
Schistosoma mansoni jun-related protein 0.0071 0.2369 0.3359
Echinococcus multilocularis bromodomain adjacent to zinc finger domain 0.0062 0.1982 0.1944
Brugia malayi Intermediate filament tail domain containing protein 0.0031 0.0629 0.0629
Echinococcus multilocularis hepatocyte nuclear factor 4 alpha 0.0023 0.0272 0.0226
Brugia malayi MH2 domain containing protein 0.0124 0.4689 0.4689
Brugia malayi Steroid receptor seven-up type 2 0.0023 0.0272 0.0272
Loa Loa (eye worm) intermediate filament protein 0.0031 0.0629 0.0629
Brugia malayi Nuclear hormone receptor family member nhr-3 0.0023 0.0272 0.0272
Echinococcus multilocularis Mitotic checkpoint protein PRCC, C terminal 0.0145 0.5602 0.5581
Loa Loa (eye worm) hypothetical protein 0.0031 0.0605 0.0605
Schistosoma mansoni retinoid-x-receptor (RXR) 0.0023 0.0272 0.0325
Loa Loa (eye worm) hypothetical protein 0.0026 0.0417 0.0417
Loa Loa (eye worm) hypothetical protein 0.0023 0.0272 0.0272
Loa Loa (eye worm) nuclear Hormone Receptor family member 0.0023 0.0272 0.0272
Trypanosoma brucei unspecified product 0.0028 0.0478 0.0309
Trypanosoma brucei mitogen activated protein kinase 4, putative 0.0059 0.1835 0.4754
Schistosoma mansoni zinc finger protein 0.002 0.0162 0.0166
Echinococcus granulosus jun protein 0.0087 0.3083 0.305
Onchocerca volvulus Ribonuclease H1 homolog 0.0025 0.0384 0.056
Echinococcus granulosus muscleblind protein 0.0155 0.605 0.6031
Echinococcus multilocularis lamin 0.0031 0.0629 0.0585
Echinococcus granulosus zinc finger protein 0.002 0.0162 0.0115
Brugia malayi Nuclear hormone receptor family member nhr-19 0.0023 0.0272 0.0272
Trypanosoma cruzi mitogen activated protein kinase 2, putative 0.0059 0.1835 1
Trypanosoma cruzi PAB1-binding protein , putative 0.0026 0.0417 0.023
Echinococcus granulosus mitogen activated protein kinase 3 0.0059 0.1835 0.1796
Loa Loa (eye worm) nuclear hormone receptor family member nhr-31 0.0023 0.0272 0.0272
Brugia malayi Bromodomain containing protein 0.004 0.1011 0.1011
Schistosoma mansoni retinoic acid receptor RXR 0.0023 0.0272 0.0325
Echinococcus granulosus tar DNA binding protein 0.0073 0.2458 0.2422
Schistosoma mansoni steroid hormone receptor ad4bp 0.0023 0.0272 0.0325
Loa Loa (eye worm) hypothetical protein 0.0031 0.0629 0.0629
Toxoplasma gondii LsmAD domain-containing protein 0.0026 0.0417 0.023
Echinococcus granulosus survival motor neuron protein 1 0.0246 1 1
Loa Loa (eye worm) steroid hormone receptor 0.0023 0.0272 0.0272
Brugia malayi Nuclear hormone receptor family member nhr-40 0.0023 0.0272 0.0272
Schistosoma mansoni Tr4/Tr2 (homologue) 0.0023 0.0272 0.0325
Schistosoma mansoni thyroid hormone receptor 0.0168 0.66 0.9479
Loa Loa (eye worm) hypothetical protein 0.0042 0.1122 0.1122
Brugia malayi Nuclear hormone receptor family member nhr-19 0.0023 0.0272 0.0272
Brugia malayi photoreceptor-specific nuclear receptor 0.0023 0.0272 0.0272
Schistosoma mansoni coup transcription factor 0.0023 0.0272 0.0325
Brugia malayi steroid hormone receptor 0.0023 0.0272 0.0272
Trichomonas vaginalis CMGC family protein kinase 0.0059 0.1835 1
Trichomonas vaginalis CMGC family protein kinase 0.0059 0.1835 1
Leishmania major hypothetical protein, conserved 0.0026 0.0417 0.023
Echinococcus multilocularis ecdysone induced protein 78C 0.0023 0.0272 0.0226
Loa Loa (eye worm) nuclear hormone receptor family member nhr-1 0.0023 0.0272 0.0272
Schistosoma mansoni thyroid hormone receptor 0.0168 0.66 0.9479
Schistosoma mansoni tar DNA-binding protein 0.0073 0.2458 0.3487
Loa Loa (eye worm) hypothetical protein 0.0023 0.0272 0.0272
Schistosoma mansoni hypothetical protein 0.0176 0.696 1
Loa Loa (eye worm) hypothetical protein 0.0023 0.0272 0.0272
Echinococcus multilocularis FTZ F1 nuclear receptor protein 0.0023 0.0272 0.0226
Brugia malayi Ligand-binding domain of nuclear hormone receptor family protein 0.0023 0.0272 0.0272
Echinococcus granulosus ecdysone induced protein 78C 0.0023 0.0272 0.0226
Brugia malayi Nuclear hormone receptor family member nhr-25 0.0023 0.0272 0.0272
Echinococcus multilocularis Basic leucine zipper (bZIP) transcription factor 0.0087 0.3083 0.305
Echinococcus multilocularis muscleblind protein 1 0.0155 0.605 0.6031
Brugia malayi Ligand-binding domain of nuclear hormone receptor family protein 0.0023 0.0272 0.0272
Loa Loa (eye worm) hypothetical protein 0.0044 0.1208 0.1208
Onchocerca volvulus 0.005 0.1462 0.5969
Brugia malayi RNase H family protein 0.0025 0.0384 0.0384
Brugia malayi RNA binding protein 0.0073 0.2458 0.2458
Echinococcus multilocularis nuclear receptor 2DBD gamma 0.0023 0.0272 0.0226
Trypanosoma brucei PAB1-binding protein , putative 0.0026 0.0417 0.0109
Schistosoma mansoni nuclear hormone receptor 0.0023 0.0272 0.0325
Schistosoma mansoni hypothetical protein 0.005 0.1462 0.2046
Loa Loa (eye worm) hypothetical protein 0.0018 0.0047 0.0047
Loa Loa (eye worm) hypothetical protein 0.0023 0.0272 0.0272
Brugia malayi Nuclear hormone receptor family member nhr-14 0.0023 0.0272 0.0272
Brugia malayi nuclear hormone receptor 0.0023 0.0272 0.0272
Echinococcus granulosus Mitotic checkpoint protein PRCC C terminal 0.0145 0.5602 0.5581
Echinococcus multilocularis survival motor neuron protein 1 0.0246 1 1
Plasmodium falciparum ataxin-2 like protein, putative 0.0026 0.0417 0.5
Brugia malayi hypothetical protein 0.0017 0.0012 0.0012
Echinococcus granulosus lamin dm0 0.0031 0.0629 0.0585
Loa Loa (eye worm) intermediate filament tail domain-containing protein 0.0031 0.0629 0.0629
Trypanosoma cruzi PAB1-binding protein , putative 0.0026 0.0417 0.023
Onchocerca volvulus 0.0031 0.0629 0.1792
Echinococcus multilocularis FTZ F1 alpha 0.0023 0.0272 0.0226
Echinococcus multilocularis COUP TF:Svp nuclear hormone receptor 0.0023 0.0272 0.0226
Treponema pallidum ribonuclease H (rnhA) 0.0025 0.0384 0.5
Schistosoma mansoni phosphoglucomutase 0.0025 0.0384 0.0487
Loa Loa (eye worm) MH2 domain-containing protein 0.0124 0.4689 0.4689
Echinococcus multilocularis zinc finger protein 0.002 0.0162 0.0115
Brugia malayi RNase H family protein 0.0025 0.0384 0.0384
Echinococcus multilocularis bromodomain adjacent to zinc finger domain 0.0037 0.0904 0.086
Loa Loa (eye worm) hypothetical protein 0.0023 0.0272 0.0272
Trypanosoma brucei retrotransposon hot spot protein 4 (RHS4), interrupted 0.0028 0.0478 0.0309
Echinococcus multilocularis musashi 0.0031 0.0629 0.0585
Echinococcus granulosus nuclear receptor 2DBD gamma 0.0023 0.0272 0.0226
Brugia malayi TAR-binding protein 0.0073 0.2458 0.2458
Echinococcus multilocularis geminin 0.0176 0.696 0.6946
Loa Loa (eye worm) hypothetical protein 0.0155 0.605 0.605
Brugia malayi intermediate filament protein 0.0031 0.0629 0.0629
Onchocerca volvulus 0.0031 0.0629 0.1792
Brugia malayi bZIP transcription factor family protein 0.0087 0.3083 0.3083
Echinococcus multilocularis mitogen activated protein kinase 0.0059 0.1835 0.1796
Echinococcus granulosus nuclear receptor 2DBD gamma 0.0023 0.0272 0.0226
Schistosoma mansoni tar DNA-binding protein 0.0073 0.2458 0.3487
Echinococcus multilocularis tar DNA binding protein 0.0073 0.2458 0.2422
Loa Loa (eye worm) RNA binding protein 0.0073 0.2458 0.2458
Loa Loa (eye worm) hypothetical protein 0.004 0.1014 0.1014
Leishmania major mitogen activated protein kinase, putative,map kinase, putative 0.0059 0.1835 1
Schistosoma mansoni RAR-like nuclear receptor 0.0023 0.0272 0.0325
Plasmodium vivax ataxin-2 like protein, putative 0.0026 0.0417 0.5
Brugia malayi Nuclear hormone receptor family member nhr-25 0.0023 0.0272 0.0272
Loa Loa (eye worm) nuclear hormone receptor family member nhr-49 0.0023 0.0272 0.0272
Brugia malayi RNA recognition motif domain containing protein 0.0073 0.2458 0.2458
Schistosoma mansoni photoreceptor-specific nuclear receptor related 0.0023 0.0272 0.0325
Brugia malayi Nuclear hormone receptor family member nhr-41 0.0023 0.0272 0.0272
Brugia malayi Iron-sulfur cluster assembly accessory protein 0.005 0.1462 0.1462
Loa Loa (eye worm) nuclear hormone receptor family member nhr-40 0.0023 0.0272 0.0272
Brugia malayi nuclear receptor NHR-88 0.0023 0.0272 0.0272
Echinococcus multilocularis thyroid hormone receptor alpha 0.0168 0.66 0.6584
Loa Loa (eye worm) bromodomain containing protein 0.0018 0.0075 0.0075
Loa Loa (eye worm) hypothetical protein 0.0246 1 1
Trypanosoma cruzi mitogen-activated protein kinase 11, putative 0.0059 0.1835 1
Brugia malayi Nuclear hormone receptor-like 1 0.0023 0.0272 0.0272
Echinococcus multilocularis ribonuclease H1 0.0025 0.0384 0.0338
Trypanosoma brucei protein kinase, putative 0.0059 0.1835 0.4754
Schistosoma mansoni hypothetical protein 0.0145 0.5602 0.8035
Schistosoma mansoni hypothetical protein 0.0176 0.696 1
Loa Loa (eye worm) TAR-binding protein 0.0073 0.2458 0.2458
Echinococcus granulosus lamin 0.0031 0.0629 0.0585
Echinococcus multilocularis jun protein 0.0087 0.3083 0.305
Echinococcus granulosus COUP TF:Svp nuclear hormone receptor 0.0023 0.0272 0.0226
Schistosoma mansoni nuclear receptor 2DBD-gamma 0.0023 0.0272 0.0325
Echinococcus granulosus Nuclear hormone receptor family member nhr 41 0.0023 0.0272 0.0226
Schistosoma mansoni tar DNA-binding protein 0.0073 0.2458 0.3487
Brugia malayi MAP kinase sur-1 0.0059 0.1835 0.1835
Echinococcus multilocularis lamin dm0 0.0031 0.0629 0.0585
Echinococcus granulosus bromodomain adjacent to zinc finger domain 0.0062 0.1982 0.1944
Echinococcus granulosus hepatocyte nuclear factor 4 alpha 0.0023 0.0272 0.0226
Trypanosoma cruzi mitogen activated protein kinase 4, putative 0.0059 0.1835 1
Loa Loa (eye worm) nuclear hormone receptor family member nhr-41 0.0023 0.0272 0.0272
Loa Loa (eye worm) hypothetical protein 0.0155 0.605 0.605
Schistosoma mansoni bromodomain containing protein 0.0066 0.2144 0.3033
Echinococcus multilocularis muscleblind protein 0.0155 0.605 0.6031
Echinococcus granulosus geminin 0.0176 0.696 0.6946
Giardia lamblia Kinase, CMGC MAPK 0.0059 0.1835 1
Schistosoma mansoni serine/threonine protein kinase 0.0059 0.1835 0.2586
Schistosoma mansoni survival motor neuron protein 0.005 0.1462 0.2046
Brugia malayi hypothetical protein 0.0069 0.2265 0.2265
Schistosoma mansoni nuclear hormone receptor nor-1/nor-2 0.0023 0.0272 0.0325
Echinococcus multilocularis Nuclear hormone receptor family member nhr 41 0.0023 0.0272 0.0226
Trypanosoma brucei ingi protein (ORF1) 0.0028 0.0478 0.0309
Trichomonas vaginalis CMGC family protein kinase 0.0059 0.1835 1
Schistosoma mansoni phosphoglucomutase 0.0025 0.0384 0.0487
Onchocerca volvulus 0.0069 0.2265 1
Echinococcus granulosus Basic leucine zipper bZIP transcription factor 0.0087 0.3083 0.305
Schistosoma mansoni phosphoglucomutase 0.0025 0.0384 0.0487
Schistosoma mansoni acetyl-CoA C-acetyltransferase 0.0023 0.0296 0.036
Leishmania major mitogen activated protein kinase 4, putative;with=GeneDB:LmxM19.1440 0.0059 0.1835 1
Schistosoma mansoni hypothetical protein 0.0021 0.021 0.0235
Loa Loa (eye worm) hypothetical protein 0.0085 0.2979 0.2979
Brugia malayi hypothetical protein 0.0026 0.0417 0.0417

Activities

Activity type Activity value Assay description Source Reference
IC50 (binding) = 180 nM Inhibition of rat kidney Histamine N-Methyltransferase (HMT) activity determined by the formation of N-methylhistamine ChEMBL. 11855993
IC50 (binding) = 180 nM Inhibition of rat kidney Histamine N-Methyltransferase (HMT) activity determined by the formation of N-methylhistamine ChEMBL. 11855993
Ki (binding) = 18 nM Affinity for displacement of [125I]-iodoproxyfan from human histamine H3 receptors stably expressed in CHO cells ChEMBL. 11855993
Ki (binding) = 18 nM Affinity for displacement of [125I]-iodoproxyfan from human histamine H3 receptors stably expressed in CHO cells 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

1 literature reference was collected for this gene.

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