Detailed information for compound 236498

Basic information

Technical information
  • TDR Targets ID: 236498
  • Name: 7-chloro-N-[2-[4-(7-chloroquinolin-4-yl)piper azin-1-yl]ethyl]quinolin-4-amine
  • MW: 452.379 | Formula: C24H23Cl2N5
  • H donors: 1 H acceptors: 2 LogP: 5.33 Rotable bonds: 5
    Rule of 5 violations (Lipinski): 1
  • SMILES: Clc1ccc2c(c1)nccc2NCCN1CCN(CC1)c1ccnc2c1ccc(c2)Cl
  • InChi: 1S/C24H23Cl2N5/c25-17-1-3-19-21(5-7-27-22(19)15-17)29-9-10-30-11-13-31(14-12-30)24-6-8-28-23-16-18(26)2-4-20(23)24/h1-8,15-16H,9-14H2,(H,27,29)
  • InChiKey: AXGJQYDQWXCHEV-UHFFFAOYSA-N  

Network

Hover on a compound node to display the structore

Synonyms

  • 7-chloro-N-[2-[4-(7-chloro-4-quinolyl)piperazin-1-yl]ethyl]quinolin-4-amine
  • 7-chloro-N-[2-[4-(7-chloro-4-quinolyl)-1-piperazinyl]ethyl]-4-quinolinamine
  • (7-chloro-4-quinolyl)-[2-[4-(7-chloro-4-quinolyl)piperazino]ethyl]amine
  • (7-chloro-4-quinolyl)-[2-[4-(7-chloro-4-quinolyl)piperazin-1-yl]ethyl]amine

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
Plasmodium falciparum plasmepsin VIII, putative 0.0124793 0.0220237 1
Trichomonas vaginalis CMGC family protein kinase 0.00796946 0.00722242 0.0497967
Toxoplasma gondii aspartyl protease ASP1 0.0124793 0.0220237 1
Loa Loa (eye worm) carboxylesterase 0.0499605 0.145038 0.152429
Loa Loa (eye worm) carboxylesterase 0.0499605 0.145038 0.152429
Schistosoma mansoni serine/threonine protein kinase 0.00899492 0.010588 0.010588
Plasmodium falciparum protein serine/threonine kinase-1 0.00719255 0.00467259 0.212162
Plasmodium vivax casein kinase 2, alpha subunit, putative 0.00796946 0.00722242 0.327939
Plasmodium vivax plasmepsin IV, putative 0.0124793 0.0220237 1
Toxoplasma gondii eukaryotic aspartyl protease superfamily protein 0.0124793 0.0220237 1
Trichomonas vaginalis CMGC family protein kinase 0.00796946 0.00722242 0.0497967
Schistosoma mansoni subfamily A1A unassigned peptidase (A01 family) 0.0124793 0.0220237 0.0220237
Schistosoma mansoni neuroligin 3 (S09 family) 0.0499605 0.145038 0.145038
Trypanosoma brucei kinetoplastid kinetochore protein 19 0.00719255 0.00467259 0.646957
Schistosoma mansoni subfamily A1A unassigned peptidase (A01 family) 0.0124793 0.0220237 0.0220237
Loa Loa (eye worm) hypothetical protein 0.0499605 0.145038 0.152429
Brugia malayi Carboxylesterase family protein 0.0499605 0.145038 0.152429
Leishmania major protein kinase, putative 0.00719255 0.00467259 0.646957
Entamoeba histolytica casein kinase, putative 0.00796946 0.00722242 1
Toxoplasma gondii aspartyl protease 0.0124793 0.0220237 1
Loa Loa (eye worm) aspartyl protease 6 0.0124793 0.0220237 0.023146
Trichomonas vaginalis CMGC family protein kinase 0.00796946 0.00722242 0.0497967
Brugia malayi aspartic protease BmAsp-2, identical 0.0124793 0.0220237 0.023146
Loa Loa (eye worm) aspartic protease BmAsp-1 0.0124793 0.0220237 0.023146
Mycobacterium ulcerans carboxylesterase, LipT 0.0499605 0.145038 0.5
Toxoplasma gondii aspartyl protease ASP3 0.0124793 0.0220237 1
Loa Loa (eye worm) hypothetical protein 0.0499605 0.145038 0.152429
Loa Loa (eye worm) hypothetical protein 0.0499605 0.145038 0.152429
Trypanosoma brucei Casein kinase II 0.00796946 0.00722242 1
Plasmodium falciparum plasmepsin I 0.0124793 0.0220237 1
Loa Loa (eye worm) hypothetical protein 0.0499605 0.145038 0.152429
Schistosoma mansoni memapsin-2 (A01 family) 0.310459 1 1
Giardia lamblia Kinase, CDC7 0.00899492 0.010588 1
Plasmodium falciparum plasmepsin V 0.0124793 0.0220237 1
Trichomonas vaginalis CMGC family protein kinase 0.00796946 0.00722242 0.0497967
Brugia malayi hypothetical protein 0.0124793 0.0220237 0.023146
Schistosoma mansoni family S9 non-peptidase homologue (S09 family) 0.295685 0.951512 0.951512
Brugia malayi Serine/threonine-protein kinase Pim-3 0.0334764 0.0909368 0.0955709
Brugia malayi Carboxylesterase family protein 0.295685 0.951512 1
Plasmodium vivax aspartyl protease, putative 0.0124793 0.0220237 1
Toxoplasma gondii CMGC kinase, CK2 family 0.00796946 0.00722242 0.327939
Loa Loa (eye worm) hypothetical protein 0.0499605 0.145038 0.152429
Loa Loa (eye worm) CMGC/CLK protein kinase 0.00719255 0.00467259 0.00491071
Plasmodium falciparum plasmepsin VII 0.0124793 0.0220237 1
Echinococcus granulosus casein kinase ii subunit alpha 0.00796946 0.00722242 0.00759048
Brugia malayi Protein kinase domain containing protein 0.00719255 0.00467259 0.00491071
Echinococcus granulosus acetylcholinesterase 0.295685 0.951512 1
Schistosoma mansoni serine/threonine protein kinase 0.00719255 0.00467259 0.00467259
Brugia malayi Carboxylesterase family protein 0.0499605 0.145038 0.152429
Echinococcus multilocularis neuroligin 0.0499605 0.145038 0.152429
Mycobacterium tuberculosis POSSIBLE PARA-NITROBENZYL ESTERASE (FRAGMENT) 0.0499605 0.145038 0.5
Schistosoma mansoni subfamily A1A unassigned peptidase (A01 family) 0.0124793 0.0220237 0.0220237
Plasmodium falciparum plasmepsin III 0.0124793 0.0220237 1
Loa Loa (eye worm) CAMK/PIM protein kinase 0.0334764 0.0909368 0.0955709
Trichomonas vaginalis CMGC family protein kinase 0.00796946 0.00722242 0.0497967
Brugia malayi Protein kinase domain containing protein 0.00899492 0.010588 0.0111276
Schistosoma mansoni subfamily A1A unassigned peptidase (A01 family) 0.0124793 0.0220237 0.0220237
Trichomonas vaginalis CMGC family protein kinase 0.00899492 0.010588 0.0730015
Schistosoma mansoni family S9 non-peptidase homologue (S09 family) 0.0499605 0.145038 0.145038
Loa Loa (eye worm) hypothetical protein 0.295685 0.951512 1
Entamoeba histolytica protein kinase domain containing protein 0.00796946 0.00722242 1
Echinococcus multilocularis acetylcholinesterase 0.295685 0.951512 1
Schistosoma mansoni serine/threonine protein kinase 0.0334764 0.0909368 0.0909368
Trichomonas vaginalis Clan AA, family A1, cathepsin D-like aspartic peptidase 0.0124793 0.0220237 0.151847
Trichomonas vaginalis spcc417.12 protein, putative 0.0499605 0.145038 1
Plasmodium falciparum plasmepsin VI 0.0124793 0.0220237 1
Brugia malayi Carboxylesterase family protein 0.295685 0.951512 1
Trichomonas vaginalis CMGC family protein kinase 0.00796946 0.00722242 0.0497967
Brugia malayi hypothetical protein 0.0499605 0.145038 0.152429
Toxoplasma gondii aspartyl proteinase (eimepsin), putative 0.0124793 0.0220237 1
Mycobacterium tuberculosis POSSIBLE PARA-NITROBENZYL ESTERASE (FRAGMENT) 0.0499605 0.145038 0.5
Giardia lamblia Kinase, CMGC CLK 0.00719255 0.00467259 0.44131
Echinococcus multilocularis cathepsin d (lysosomal aspartyl protease) 0.0124793 0.0220237 0.023146
Echinococcus granulosus proto oncogene serine:threonine protein kinase 0.0334764 0.0909368 0.0955709
Loa Loa (eye worm) hypothetical protein 0.295685 0.951512 1
Trichomonas vaginalis CMGC family protein kinase 0.00719255 0.00467259 0.0322163
Loa Loa (eye worm) carboxylesterase 0.295685 0.951512 1
Schistosoma mansoni subfamily A1A unassigned peptidase (A01 family) 0.0124793 0.0220237 0.0220237
Schistosoma mansoni BC026374 protein (S09 family) 0.0499605 0.145038 0.145038
Plasmodium falciparum plasmepsin X 0.0124793 0.0220237 1
Onchocerca volvulus 0.0124793 0.0220237 0.151847
Trypanosoma cruzi kinetoplastid kinetochore protein 19, putative 0.00719255 0.00467259 0.646957
Plasmodium vivax aspartyl proteinase, putative 0.0124793 0.0220237 1
Echinococcus multilocularis CDC7 cell division cycle 7 0.00899492 0.010588 0.0111276
Brugia malayi hypothetical protein 0.0124793 0.0220237 0.023146
Schistosoma mansoni subfamily A1A unassigned peptidase (A01 family) 0.0124793 0.0220237 0.0220237
Toxoplasma gondii cell-cycle-associated protein kinase CLK, putative 0.00719255 0.00467259 0.212162
Loa Loa (eye worm) hypothetical protein 0.00688117 0.00365063 0.00383667
Echinococcus granulosus acetylcholinesterase 0.295685 0.951512 1
Leishmania major casein kinase II, putative 0.00796946 0.00722242 1
Echinococcus granulosus carboxylesterase 5A 0.295685 0.951512 1
Trichomonas vaginalis CMGC family protein kinase 0.00796946 0.00722242 0.0497967
Schistosoma mansoni protein kinase 0.00796946 0.00722242 0.00722242
Loa Loa (eye worm) hypothetical protein 0.0124793 0.0220237 0.023146
Brugia malayi Carboxylesterase family protein 0.0499605 0.145038 0.152429
Trypanosoma cruzi casein kinase II, putative 0.00796946 0.00722242 1
Loa Loa (eye worm) hypothetical protein 0.0124793 0.0220237 0.023146
Onchocerca volvulus Serine\/threonine protein kinase homolog 0.0334764 0.0909368 0.626985
Loa Loa (eye worm) aspartic protease BmAsp-2 0.0124793 0.0220237 0.023146
Schistosoma mansoni acetylcholinesterase 0.0499605 0.145038 0.145038
Loa Loa (eye worm) CAMK/PIM protein kinase 0.0334764 0.0909368 0.0955709
Schistosoma mansoni gliotactin 0.0499605 0.145038 0.145038
Echinococcus multilocularis acetylcholinesterase 0.295685 0.951512 1
Plasmodium falciparum plasmepsin II 0.0124793 0.0220237 1
Echinococcus granulosus CDC7 cell division cycle 7 0.00899492 0.010588 0.0111276
Schistosoma mansoni subfamily A1A unassigned peptidase (A01 family) 0.0124793 0.0220237 0.0220237
Loa Loa (eye worm) hypothetical protein 0.0499605 0.145038 0.152429
Onchocerca volvulus 0.00899492 0.010588 0.0730015
Echinococcus granulosus family S9 non peptidase ue S09 family 0.0499605 0.145038 0.152429
Loa Loa (eye worm) hypothetical protein 0.0499605 0.145038 0.152429
Loa Loa (eye worm) CDC7 protein kinase 0.00899492 0.010588 0.0111276
Schistosoma mansoni cathepsin D (A01 family) 0.0124793 0.0220237 0.0220237
Onchocerca volvulus 0.00899492 0.010588 0.0730015
Plasmodium vivax serine/threonine kinase-1, putative 0.00719255 0.00467259 0.212162
Onchocerca volvulus 0.0499605 0.145038 1
Trichomonas vaginalis CMGC family protein kinase 0.00899492 0.010588 0.0730015
Echinococcus multilocularis para nitrobenzyl esterase 0.0499605 0.145038 0.152429
Onchocerca volvulus 0.0499605 0.145038 1
Brugia malayi aspartic protease BmAsp-1, identical 0.0124793 0.0220237 0.023146
Echinococcus granulosus BC026374 protein S09 family 0.0499605 0.145038 0.152429
Echinococcus granulosus dual specificity protein kinase clk2 0.00719255 0.00467259 0.00491071
Trypanosoma brucei kinetoplastid kinetochore protein 10 0.00719255 0.00467259 0.646957
Trichomonas vaginalis CMGC family protein kinase 0.00899492 0.010588 0.0730015
Echinococcus multilocularis casein kinase ii subunit alpha 0.00796946 0.00722242 0.00759048
Brugia malayi Protein kinase domain containing protein 0.0334764 0.0909368 0.0955709
Echinococcus multilocularis proto oncogene serine:threonine protein kinase 0.0334764 0.0909368 0.0955709
Plasmodium falciparum plasmepsin IX 0.0124793 0.0220237 1
Echinococcus granulosus para nitrobenzyl esterase 0.0499605 0.145038 0.152429
Echinococcus granulosus cathepsin d lysosomal aspartyl protease 0.0124793 0.0220237 0.023146
Onchocerca volvulus 0.0499605 0.145038 1
Plasmodium falciparum casein kinase 2, alpha subunit 0.00796946 0.00722242 0.327939
Onchocerca volvulus 0.0124793 0.0220237 0.151847
Loa Loa (eye worm) hypothetical protein 0.0124793 0.0220237 0.023146
Schistosoma mansoni family S9 non-peptidase homologue (S09 family) 0.0499605 0.145038 0.145038
Plasmodium vivax plasmepsin V, putative 0.0124793 0.0220237 1
Schistosoma mansoni subfamily A1A unassigned peptidase (A01 family) 0.0124793 0.0220237 0.0220237
Loa Loa (eye worm) CMGC/CK2 protein kinase 0.00796946 0.00722242 0.00759048
Echinococcus granulosus hypothetical protein 0.00688117 0.00365063 0.00383667
Schistosoma mansoni serine/threonine protein kinase 0.00719255 0.00467259 0.00467259
Loa Loa (eye worm) acetylcholinesterase 1 0.295685 0.951512 1
Echinococcus multilocularis 0.00688117 0.00365063 0.00383667
Onchocerca volvulus 0.0499605 0.145038 1
Trichomonas vaginalis carboxylesterase domain containing protein, putative 0.0499605 0.145038 1
Plasmodium vivax aspartyl proteinase, putative 0.0124793 0.0220237 1
Echinococcus multilocularis BC026374 protein (S09 family) 0.0499605 0.145038 0.152429
Echinococcus multilocularis dual specificity protein kinase clk2 0.00719255 0.00467259 0.00491071
Schistosoma mansoni cathepsin D (A01 family) 0.0124793 0.0220237 0.0220237
Plasmodium vivax aspartyl protease, putative 0.0124793 0.0220237 1
Echinococcus multilocularis family S9 non peptidase ue (S09 family) 0.0499605 0.145038 0.152429
Plasmodium vivax unspecified product 0.00796946 0.00722242 0.327939
Schistosoma mansoni family S9 non-peptidase homologue (S09 family) 0.0499605 0.145038 0.145038
Echinococcus multilocularis carboxylesterase 5A 0.295685 0.951512 1
Mycobacterium tuberculosis Carboxylesterase LipT 0.0499605 0.145038 0.5
Brugia malayi Casein kinase II, alpha chain 0.00796946 0.00722242 0.00759048
Onchocerca volvulus 0.0499605 0.145038 1
Brugia malayi Eukaryotic aspartyl protease family protein 0.0124793 0.0220237 0.023146
Plasmodium falciparum plasmepsin IV 0.0124793 0.0220237 1
Giardia lamblia Kinase, CMGC CK2 0.00796946 0.00722242 0.682133
Schistosoma mansoni subfamily A1A unassigned peptidase (A01 family) 0.0124793 0.0220237 0.0220237
Trypanosoma cruzi kinetoplastid kinetochore protein 10, putative 0.00719255 0.00467259 0.646957
Brugia malayi Pepsin A precursor 0.0124793 0.0220237 0.023146
Plasmodium vivax aspartyl protease, putative 0.0124793 0.0220237 1
Leishmania major protein kinase, putative 0.00719255 0.00467259 0.646957
Echinococcus granulosus neuroligin 0.0499605 0.145038 0.152429
Trypanosoma cruzi kinetoplastid kinetochore protein 10, putative 0.00719255 0.00467259 0.646957
Brugia malayi Carboxylesterase family protein 0.0499605 0.145038 0.152429
Trypanosoma cruzi kinetoplastid kinetochore protein 19, putative 0.00719255 0.00467259 0.646957

Activities

Activity type Activity value Assay description Source Reference
Activity (binding) = 0.067 nM min-1 (mg of protein)-1 In vitro effect of the compound on methemoglobin reductase activity in blood of dog at 33 uM concentration ChEMBL. 10201823
Activity (binding) = 0.067 nM min-1 (mg of protein)-1 In vitro effect of the compound on methemoglobin reductase activity in blood of dog at 166 uM concentration ChEMBL. 10201823
Activity (binding) = 0.067 nM min-1 (mg of protein)-1 In vitro effect of the compound on methemoglobin reductase activity in blood of dog at 33 uM concentration ChEMBL. 10201823
Activity (binding) = 0.067 nM min-1 (mg of protein)-1 In vitro effect of the compound on methemoglobin reductase activity in blood of dog at 166 uM concentration ChEMBL. 10201823
IC50 (functional) = 1.2 nM Antimalarial activity against D6 clone of P. falciparum was determined in vitro. ChEMBL. 9784111
IC50 (functional) = 1.2 nM Antimalarial activity against D6 clone of P. falciparum was determined in vitro. ChEMBL. 9784111
IC50 (functional) = 9 nM Antimalarial activity against chloroquine-resistant W2 clone of P. falciparum was determined in vitro. ChEMBL. 9784111
IC50 (functional) = 9 nM Antimalarial activity against chloroquine-resistant W2 clone of P. falciparum was determined in vitro. ChEMBL. 9784111
IC50 (functional) = 5 uM Ability of the compound to inhibit hematin polymerization was determined against Plasmodium falciparum. ChEMBL. 9784111
IC50 (functional) = 5 uM Ability of the compound to inhibit hematin polymerization was determined against Plasmodium falciparum. ChEMBL. 9784111
Methemoglobin (functional) Nil 0 % In vitro effect of the compound on methemoglobin formation in blood of dog at 1 mM concentration; Nil ChEMBL. 10201823
Methemoglobin (functional) Nil 0 % In vitro effect of the compound on methemoglobin formation in blood of dog at 5 mM concentration ChEMBL. 10201823
Number (functional) = 1 Number of P. berghei infected mice died on day 8 at 40 mg/kg ChEMBL. 9784111
Number (functional) = 1 Number of P. berghei infected mice died on day 22 at 640 mg/kg ChEMBL. 9784111
Number (functional) = 1 Number of P. berghei infected mice died on day 18 at 640 mg/kg ChEMBL. 9784111
Number (functional) = 1 Number of P. berghei infected mice died on day 9 at 40 mg/kg ChEMBL. 9784111
Number (functional) = 1 Number of P. berghei infected mice died at 640 mg/kg; Curative ChEMBL. 9784111
Number (functional) = 1 Number of P. berghei infected mice died on day 17 at 160 mg/kg ChEMBL. 9784111
Number (functional) = 1 Number of P. berghei infected mice died on day 20 at 640 mg/kg ChEMBL. 9784111
Number (functional) = 1 Number of P. berghei infected mice died on day 14 at 160 mg/kg ChEMBL. 9784111
Number (functional) = 1 Number of P. berghei infected mice died on day 16 at 640 mg/kg ChEMBL. 9784111
Number (functional) = 1 Number of P. berghei infected mice died at 160 mg/kg; Curative ChEMBL. 9784111
Number (functional) = 1 Number of P. berghei infected mice died on day 12 at 40 mg/kg ChEMBL. 9784111
Number (functional) = 2 Number of P. berghei infected mice died on day 13 at 40 mg/kg ChEMBL. 9784111
Number (functional) = 3 Number of P. berghei infected mice died on day 13 at 160 mg/kg ChEMBL. 9784111
Number (functional) = 1 Number of P. berghei infected mice died on day 8 at 40 mg/kg ChEMBL. 9784111
Number (functional) = 1 Number of P. berghei infected mice died on day 9 at 40 mg/kg ChEMBL. 9784111
Number (functional) = 1 Number of P. berghei infected mice died on day 12 at 40 mg/kg ChEMBL. 9784111
Number (functional) = 1 Number of P. berghei infected mice died on day 14 at 160 mg/kg ChEMBL. 9784111
Number (functional) = 1 Number of P. berghei infected mice died on day 17 at 160 mg/kg ChEMBL. 9784111
Number (functional) = 1 Number of P. berghei infected mice died at 160 mg/kg; Curative ChEMBL. 9784111
Number (functional) = 1 Number of P. berghei infected mice died on day 16 at 640 mg/kg ChEMBL. 9784111
Number (functional) = 1 Number of P. berghei infected mice died on day 18 at 640 mg/kg ChEMBL. 9784111
Number (functional) = 1 Number of P. berghei infected mice died on day 20 at 640 mg/kg ChEMBL. 9784111
Number (functional) = 1 Number of P. berghei infected mice died on day 22 at 640 mg/kg ChEMBL. 9784111
Number (functional) = 1 Number of P. berghei infected mice died at 640 mg/kg; Curative ChEMBL. 9784111
Number (functional) = 2 Number of P. berghei infected mice died on day 13 at 40 mg/kg ChEMBL. 9784111
Number (functional) = 3 Number of P. berghei infected mice died on day 13 at 160 mg/kg ChEMBL. 9784111

Phenotypes

Whole-cell/tissue/organism interactions

Species name Source Reference Is orphan
Plasmodium falciparum ChEMBL23 9784111

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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