Detailed information for compound 608258

Basic information

Technical information
  • TDR Targets ID: 608258
  • Name: 4-[4-[2-(4-benzo[g]quinolin-4-ylpiperazin-1-y l)ethyl]piperazin-1-yl]benzo[g]quinoline
  • MW: 552.711 | Formula: C36H36N6
  • H donors: 0 H acceptors: 2 LogP: 6.21 Rotable bonds: 5
    Rule of 5 violations (Lipinski): 2
  • SMILES: c1cc(N2CCN(CC2)CCN2CCN(CC2)c2ccnc3c2cc2ccccc2c3)c2c(n1)cc1c(c2)cccc1
  • InChi: 1S/C36H36N6/c1-3-7-29-25-33-31(23-27(29)5-1)35(9-11-37-33)41-19-15-39(16-20-41)13-14-40-17-21-42(22-18-40)36-10-12-38-34-26-30-8-4-2-6-28(30)24-32(34)36/h1-12,23-26H,13-22H2
  • InChiKey: DJSWKAQEKBRZAO-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

  • 4-[4-[2-[4-(4-benzo[g]quinolinyl)-1-piperazinyl]ethyl]-1-piperazinyl]benzo[g]quinoline
  • ChemDiv1_018989
  • CDS1_002733
  • DivK1c_003773

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
Echinococcus multilocularis acetylcholine receptor subunit beta 1 0.00132687 0.00170276 0.00170276
Plasmodium vivax hypothetical protein, conserved 0.00244153 0.0349848 1
Echinococcus multilocularis glycine receptor subunit alpha 1 0.00132687 0.00170276 0.00170276
Trypanosoma brucei prolyl endopeptidase 0.00244153 0.0349848 0.114971
Schistosoma mansoni nAChR subunit (ShAR1-beta2-like) 0.00132687 0.00170276 0.00170276
Brugia malayi Neurotransmitter-gated ion-channel transmembrane region family protein 0.00132687 0.00170276 0.00170276
Echinococcus multilocularis Dipeptidyl peptidase 9 0.011461 0.304291 0.304291
Echinococcus granulosus Cys loop ligand gated ion channel subunit 0.00132687 0.00170276 0.00170276
Brugia malayi prolyl oligopeptidase family protein 0.00244153 0.0349848 0.0349848
Mycobacterium tuberculosis Probable peptidase 0.00244153 0.0349848 0.5
Trypanosoma brucei serine peptidase, Clan SC, Family S9B 0.011461 0.304291 1
Leishmania major oligopeptidase b 0.00244153 0.0349848 0.114971
Echinococcus granulosus leukotriene A 4 hydrolase 0.0234758 0.663034 0.663034
Brugia malayi Neurotransmitter-gated ion-channel ligand binding domain containing protein 0.00132687 0.00170276 0.00170276
Echinococcus granulosus nicotinic acetylcholine receptor subunit type 0.00132687 0.00170276 0.00170276
Loa Loa (eye worm) hypothetical protein 0.00244153 0.0349848 0.0349848
Brugia malayi prolyl oligopeptidase family protein 0.00244153 0.0349848 0.0349848
Echinococcus multilocularis Cys loop ligand gated ion channel subunit 0.00132687 0.00170276 0.00170276
Leishmania major oligopeptidase B-like protein,serine peptidase, clan SC, family S9A-like protein 0.00244153 0.0349848 0.114971
Brugia malayi gamma-aminobutyric-acid receptor beta subunit precursor 0.00132687 0.00170276 0.00170276
Schistosoma mansoni prolyl oligopeptidase (S09 family) 0.00244153 0.0349848 0.0349848
Echinococcus multilocularis glycine receptor subunit alpha 1 0.00132687 0.00170276 0.00170276
Loa Loa (eye worm) prolyl oligopeptidase 0.00244153 0.0349848 0.0349848
Schistosoma mansoni nAChR subunit 0.00132687 0.00170276 0.00170276
Loa Loa (eye worm) hypothetical protein 0.00132687 0.00170276 0.00170276
Giardia lamblia Alanyl dipeptidyl peptidase 0.00244153 0.0349848 0.5
Toxoplasma gondii dipeptidyl peptidase iv (dpp iv) n-terminal region domain-containing protein 0.011461 0.304291 1
Loa Loa (eye worm) nicotinic acetylcholine receptor non-alpha subunit 0.00132687 0.00170276 0.00170276
Onchocerca volvulus 0.00132687 0.00170276 0.00170276
Echinococcus multilocularis dipeptidyl aminopeptidaseprotein 0.0347613 1 1
Loa Loa (eye worm) glutamate-gated chloride channel alpha3A subunit 0.00132687 0.00170276 0.00170276
Loa Loa (eye worm) excitatory GABA receptor EXP-1A 0.00132687 0.00170276 0.00170276
Schistosoma mansoni nAChR subunit (ShAR1-alpha-like) 0.00885986 0.226626 0.226626
Brugia malayi Neurotransmitter-gated ion-channel ligand binding domain containing protein 0.00132687 0.00170276 0.00170276
Trypanosoma cruzi serine peptidase, clan SC, family S9A-like protein, putative 0.00244153 0.0349848 0.114971
Schistosoma mansoni nAChR subunit 0.00132687 0.00170276 0.00170276
Mycobacterium leprae PROBABLE PROTEASE II PTRBB (OLIGOPEPTIDASE B) 0.00244153 0.0349848 0.5
Schistosoma mansoni prolyl oligopeptidase (S09 family) 0.00244153 0.0349848 0.0349848
Loa Loa (eye worm) hypothetical protein 0.00132687 0.00170276 0.00170276
Entamoeba histolytica prolyl oligopeptidase family protein 0.00244153 0.0349848 1
Brugia malayi excitatory GABA receptor EXP-1A 0.00132687 0.00170276 0.00170276
Echinococcus granulosus dipeptidyl aminopeptidaseprotein 0.0347613 1 1
Loa Loa (eye worm) hypothetical protein 0.00132687 0.00170276 0.00170276
Echinococcus granulosus neuronal acetylcholine receptor subunit alpha 4 0.00132687 0.00170276 0.00170276
Schistosoma mansoni nAChR subunit 0.00132687 0.00170276 0.00170276
Onchocerca volvulus Dipeptidyl peptidase family member 1 homolog 0.0347613 1 1
Loa Loa (eye worm) hypothetical protein 0.00132687 0.00170276 0.00170276
Echinococcus multilocularis neuronal acetylcholine receptor subunit alpha 4 0.00132687 0.00170276 0.00170276
Echinococcus multilocularis nicotinic acetylcholine receptor a11 subunit 0.00132687 0.00170276 0.00170276
Trypanosoma cruzi dipeptidyl-peptidase 8-like serine peptidase 0.011461 0.304291 1
Brugia malayi Neurotransmitter-gated ion-channel transmembrane region family protein 0.00132687 0.00170276 0.00170276
Schistosoma mansoni Cys-loop ligand gated ion channel subunit 0.00132687 0.00170276 0.00170276
Onchocerca volvulus Prolyl endopeptidase homolog 0.00244153 0.0349848 0.0349848
Echinococcus granulosus glycine receptor subunit alpha 1 0.00132687 0.00170276 0.00170276
Loa Loa (eye worm) hypothetical protein 0.00132687 0.00170276 0.00170276
Brugia malayi nicotinic acetylcholine receptor beta-1 chain precursor 0.00132687 0.00170276 0.00170276
Trypanosoma brucei Alpha/beta hydrolase domain-containing protein 0.00244153 0.0349848 0.114971
Loa Loa (eye worm) ACC-1 protein 0.00132687 0.00170276 0.00170276
Schistosoma mansoni prolyl oligopeptidase (S09 family) 0.00244153 0.0349848 0.0349848
Trypanosoma cruzi serine peptidase, Clan SC, Family S9B 0.011461 0.304291 1
Echinococcus multilocularis leukotriene A 4 hydrolase 0.0234758 0.663034 0.663034
Onchocerca volvulus 0.00885986 0.226626 0.226626
Loa Loa (eye worm) hypothetical protein 0.00885986 0.226626 0.226626
Mycobacterium tuberculosis Probable protease II PtrBb [second part] (oligopeptidase B) 0.00244153 0.0349848 0.5
Loa Loa (eye worm) acetylcholine receptor alpha subunit 0.00132687 0.00170276 0.00170276
Echinococcus granulosus Dipeptidyl peptidase 9 0.011461 0.304291 0.304291
Onchocerca volvulus 0.00132687 0.00170276 0.00170276
Loa Loa (eye worm) hypothetical protein 0.00132687 0.00170276 0.00170276
Brugia malayi Hypothetical glycine receptor like protein T20B12.9 in chromosome III 0.00132687 0.00170276 0.00170276
Entamoeba histolytica prolyl oligopeptidase family protein 0.00244153 0.0349848 1
Loa Loa (eye worm) hypothetical protein 0.00132687 0.00170276 0.00170276
Echinococcus granulosus acetylcholine receptor subunit beta 1 0.00132687 0.00170276 0.00170276
Brugia malayi hypothetical protein 0.010989 0.290198 0.290198
Schistosoma mansoni nAChR subunit 0.00132687 0.00170276 0.00170276
Echinococcus multilocularis glycine receptor subunit beta 0.00132687 0.00170276 0.00170276
Schistosoma mansoni nAChR subunit 0.00132687 0.00170276 0.00170276
Brugia malayi Neurotransmitter-gated ion-channel ligand binding domain containing protein 0.00132687 0.00170276 0.00170276
Loa Loa (eye worm) nicotinic acetylcholine receptor alpha subunit 0.00132687 0.00170276 0.00170276
Brugia malayi hypothetical protein 0.00901946 0.231391 0.231391
Onchocerca volvulus Putative nachr subunit 0.00132687 0.00170276 0.00170276
Loa Loa (eye worm) hypothetical protein 0.00132687 0.00170276 0.00170276
Trypanosoma cruzi hypothetical protein, conserved 0.00244153 0.0349848 0.114971
Loa Loa (eye worm) prolyl oligopeptidase 0.0347613 1 1
Brugia malayi nicotinic acetylcholine receptor alpha subunit, putative 0.00132687 0.00170276 0.00170276
Loa Loa (eye worm) hypothetical protein 0.00901946 0.231391 0.231391
Loa Loa (eye worm) hypothetical protein 0.0082478 0.208351 0.208351
Trypanosoma brucei oligopeptidase b 0.00244153 0.0349848 0.114971
Toxoplasma gondii prolyl endopeptidase 0.00244153 0.0349848 0.114971
Loa Loa (eye worm) hypothetical protein 0.00244153 0.0349848 0.0349848
Loa Loa (eye worm) ligand-Gated ion Channel family member 0.00132687 0.00170276 0.00170276
Loa Loa (eye worm) hypothetical protein 0.00132687 0.00170276 0.00170276
Schistosoma mansoni leukotriene A4 hydrolase (M01 family) 0.0234758 0.663034 0.663034
Brugia malayi Neurotransmitter-gated ion-channel ligand binding domain containing protein 0.00132687 0.00170276 0.00170276
Schistosoma mansoni acylaminoacyl-peptidase (S09 family) 0.00244153 0.0349848 0.0349848
Trypanosoma brucei prolyl oligopeptidase, putative 0.00244153 0.0349848 0.114971
Brugia malayi prolyl oligopeptidase family protein 0.0347613 1 1
Mycobacterium ulcerans protease II (oligopeptidase B), PtrB 0.00244153 0.0349848 1
Brugia malayi acetylcholine receptor, alpha-type subunit unc-38 precursor 0.00132687 0.00170276 0.00170276
Brugia malayi prolyl oligopeptidase family protein 0.00244153 0.0349848 0.0349848
Trichomonas vaginalis conserved hypothetical protein 0.00244153 0.0349848 1
Plasmodium falciparum peptidase, putative 0.00244153 0.0349848 1
Entamoeba histolytica dipeptidyl-peptidase, putative 0.00244153 0.0349848 1
Loa Loa (eye worm) LGC-31 protein 0.00132687 0.00170276 0.00170276
Loa Loa (eye worm) ACC-1 protein 0.00132687 0.00170276 0.00170276
Schistosoma mansoni dipeptidyl-peptidase 9 (S09 family) 0.011461 0.304291 0.304291
Echinococcus granulosus acylamino acid releasing enzyme 0.00244153 0.0349848 0.0349848
Brugia malayi acetylcholine receptor protein, alpha-like chain, putative 0.00132687 0.00170276 0.00170276
Echinococcus granulosus nicotinic acetylcholine receptor a11 subunit 0.00132687 0.00170276 0.00170276
Echinococcus multilocularis glycine receptor subunit beta 0.00132687 0.00170276 0.00170276
Trypanosoma cruzi oligopeptidase b 0.00244153 0.0349848 0.114971
Loa Loa (eye worm) hypothetical protein 0.00132687 0.00170276 0.00170276
Giardia lamblia Alanyl dipeptidyl peptidase 0.00244153 0.0349848 0.5
Loa Loa (eye worm) hypothetical protein 0.00885986 0.226626 0.226626
Echinococcus multilocularis nAChR subunit 0.00132687 0.00170276 0.00170276
Brugia malayi Neurotransmitter-gated ion-channel ligand binding domain containing protein 0.00132687 0.00170276 0.00170276
Leishmania major prolyl oligopeptidase, putative,serine peptidase clan SC, family S9A, putative 0.00244153 0.0349848 0.114971
Toxoplasma gondii acylaminoacyl-peptidase, putative 0.00244153 0.0349848 0.114971
Echinococcus granulosus glycine receptor subunit alpha 1 0.00132687 0.00170276 0.00170276
Echinococcus multilocularis nicotinic acetylcholine receptor subunit alpha 8 0.00132687 0.00170276 0.00170276
Onchocerca volvulus 0.00885986 0.226626 0.226626
Loa Loa (eye worm) hypothetical protein 0.00132687 0.00170276 0.00170276
Brugia malayi Neurotransmitter-gated ion-channel ligand binding domain containing protein 0.00132687 0.00170276 0.00170276
Trypanosoma brucei serine peptidase, clan SC, family S9A-like protein 0.00244153 0.0349848 0.114971
Loa Loa (eye worm) hypothetical protein 0.00244153 0.0349848 0.0349848
Echinococcus granulosus glycine receptor subunit alpha 1 0.00132687 0.00170276 0.00170276
Entamoeba histolytica prolyl oligopeptidase family protein 0.00244153 0.0349848 1
Trypanosoma brucei Dipeptidyl-peptidase 8-like, putative 0.011461 0.304291 1
Schistosoma mansoni Cys-loop ligand gated ion channel subunit 0.00132687 0.00170276 0.00170276
Echinococcus granulosus glycine receptor subunit beta 0.00132687 0.00170276 0.00170276
Trichomonas vaginalis Clan SC, family S33, methylesterase-like serine peptidase 0.00244153 0.0349848 1
Echinococcus multilocularis nicotinic acetylcholine receptor beta 1 subunit 0.00132687 0.00170276 0.00170276
Loa Loa (eye worm) hypothetical protein 0.00132687 0.00170276 0.00170276
Loa Loa (eye worm) hypothetical protein 0.00132687 0.00170276 0.00170276
Schistosoma mansoni nAChR subunit 0.00132687 0.00170276 0.00170276
Schistosoma mansoni subfamily S9B unassigned peptidase (S09 family) 0.0347613 1 1
Loa Loa (eye worm) hypothetical protein 0.00132687 0.00170276 0.00170276
Echinococcus multilocularis acylamino acid releasing enzyme 0.00244153 0.0349848 0.0349848
Brugia malayi Cation transporter family protein 0.00132687 0.00170276 0.00170276
Echinococcus granulosus glycine receptor subunit beta 0.00132687 0.00170276 0.00170276
Echinococcus granulosus prolyl endopeptidase 0.00244153 0.0349848 0.0349848
Loa Loa (eye worm) hypothetical protein 0.00132687 0.00170276 0.00170276
Echinococcus granulosus nicotinic acetylcholine receptor alpha subunit 0.00132687 0.00170276 0.00170276
Echinococcus multilocularis prolyl endopeptidase 0.00244153 0.0349848 0.0349848
Echinococcus multilocularis glycine receptor subunit alpha 1 0.00132687 0.00170276 0.00170276
Schistosoma mansoni Cys-loop ligand gated ion channel subunit 0.00132687 0.00170276 0.00170276
Loa Loa (eye worm) hypothetical protein 0.00132687 0.00170276 0.00170276
Echinococcus granulosus nicotinic acetylcholine receptor subunit alpha 8 0.00132687 0.00170276 0.00170276
Brugia malayi Cation transporter family protein 0.00132687 0.00170276 0.00170276
Toxoplasma gondii hypothetical protein 0.00244153 0.0349848 0.114971
Brugia malayi prolyl oligopeptidase family protein 0.011461 0.304291 0.304291
Echinococcus granulosus nAChR subunit 0.00132687 0.00170276 0.00170276
Trypanosoma cruzi prolyl endopeptidase 0.00244153 0.0349848 0.114971
Entamoeba histolytica dipeptidyl-peptidase, putative 0.00244153 0.0349848 1
Trypanosoma cruzi hypothetical protein, conserved 0.00244153 0.0349848 0.114971
Schistosoma mansoni nAChR subunit 0.00132687 0.00170276 0.00170276
Echinococcus multilocularis nicotinic acetylcholine receptor alpha subunit 0.00132687 0.00170276 0.00170276
Leishmania major dipeptidyl-peptidase 8-like serine peptidase, putative,serine peptidase, Clan SC, Family S9B 0.011461 0.304291 1
Onchocerca volvulus 0.00132687 0.00170276 0.00170276
Trypanosoma cruzi oligopeptidase B-like protein, putative 0.00244153 0.0349848 0.114971
Brugia malayi Cation transporter family protein 0.00885986 0.226626 0.226626
Echinococcus granulosus nicotinic acetylcholine receptor beta 1 subunit 0.00132687 0.00170276 0.00170276
Loa Loa (eye worm) leukotriene A4 hydrolase 0.0234758 0.663034 0.663034
Entamoeba histolytica hypothetical protein, conserved 0.00244153 0.0349848 1
Loa Loa (eye worm) hypothetical protein 0.00132687 0.00170276 0.00170276
Trichomonas vaginalis Clan SC, family S9, acylaminoacyl-peptidase-like serine peptidase 0.00244153 0.0349848 1
Onchocerca volvulus 0.00885986 0.226626 0.226626
Brugia malayi acetylcholine receptor alpha subunit precursor, putative 0.00132687 0.00170276 0.00170276
Trypanosoma cruzi oligopeptidase b 0.00244153 0.0349848 0.114971
Brugia malayi Neurotransmitter-gated ion-channel transmembrane region family protein 0.00132687 0.00170276 0.00170276
Schistosoma mansoni nAChR subunit (ShAR1-beta-like) 0.00885986 0.226626 0.226626

Activities

Activity type Activity value Assay description Source Reference
CC50 (functional) > 100 uM Huh7 cytotoxicity for Pf inhibitors Novartis-GNF Malaria Box. No reference
CC50 > 100 uM NOVARTIS: Cytotoxicity against human hepatocellular carcinoma cell line (Huh7) ChEMBL. 18579783
EC50 (functional) = 0.1765 uM PF proliferation inhibition 3D7 Novartis-GNF Malaria Box. No reference
EC50 (functional) = 0.1765 uM NOVARTIS: Inhibition of Plasmodium falciparum 3D7 (drug-susceptible) proliferation in erythrocyte-based infection assay ChEMBL. 18579783
EC50 (functional) = 0.2283 uM W2 Pf proliferation inhibition Novartis-GNF Malaria Box. No reference
EC50 (functional) = 0.2283 uM NOVARTIS: Inhibition of Plasmodium falciparum W2 (drug-resistant) proliferation in erythrocyte-based infection assay ChEMBL. 18579783
IC50 (functional) = 2.914 uM NOVARTIS: Antimalarial liver stage activity measured as reduction in Plasmodium yoelii schizont area in HepG2-A16-CD81 cells by immuno-fluorescence, and median schizont size at 10uM compound concentration ChEMBL. 22096101
IFI promiscuity index = 0.08197 IFI promiscuity index Novartis-GNF Malaria Box. No reference
Schizont size (functional) = 135.69 um NOVARTIS: Antimalarial liver stage activity measured as reduction in Plasmodium yoelii schizont area in HepG2-A16-CD81 cells by immuno-fluorescence, and median schizont size at 10uM compound concentration ChEMBL. 22096101

Phenotypes

Whole-cell/tissue/organism interactions

Species name Source Reference Is orphan
Plasmodium falciparum ChEMBL23 18579783
Plasmodium yoelii ChEMBL23 22096101

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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