Detailed information for compound 57093

Basic information

Technical information
  • TDR Targets ID: 57093
  • Name: 4-N-(6-methoxyquinolin-8-yl)pentane-1,4-diami ne; phosphoric acid
  • MW: 455.337 | Formula: C15H27N3O9P2
  • H donors: 8 H acceptors: 9 LogP: -4.11 Rotable bonds: 6
    Rule of 5 violations (Lipinski): 2
  • SMILES: OP(=O)(O)O.OP(=O)(O)O.NCCCC(Nc1cc(OC)cc2c1nccc2)C
  • InChi: 1S/C15H21N3O.2H3O4P/c1-11(5-3-7-16)18-14-10-13(19-2)9-12-6-4-8-17-15(12)14;2*1-5(2,3)4/h4,6,8-11,18H,3,5,7,16H2,1-2H3;2*(H3,1,2,3,4)
  • InChiKey: GJOHLWZHWQUKAU-UHFFFAOYSA-N  


Substructure search Similarity search

Network

Hover on a compound node to display the structore

Synonyms

  • N4-(6-methoxy-8-quinolyl)pentane-1,4-diamine; phosphoric acid
  • N4-(6-methoxyquinolin-8-yl)pentane-1,4-diamine; phosphoric acid
  • (4-amino-1-methyl-butyl)-(6-methoxy-8-quinolyl)amine; phosphoric acid
  • 5-azaniumylpentan-2-yl-(6-methoxyquinolin-8-yl)azanium; dihydrogen phosphate
  • (4-azaniumyl-1-methyl-butyl)-(6-methoxy-8-quinolyl)ammonium; dihydrogen phosphate
  • (4-ammonio-1-methylbutyl)-(6-methoxy-8-quinolyl)ammonium; dihydrogen phosphate
  • (4-ammonio-1-methyl-butyl)-(6-methoxy-8-quinolyl)ammonium; dihydrogen phosphate
  • Primaquine
  • N-(6-methoxyquinolin-8-yl)pentane-1,4-diamine; phosphoric acid
  • N-(6-methoxy-8-quinolyl)pentane-1,4-diamine; phosphoric acid
  • 63-45-6
  • 1,4-Pentanediamine, N4-(6-methoxy-8-quinolinyl)-, phosphate (1:2) (9CI)
  • 8-((4-Amino-1-methylbutyl)amino)-6-methoxyquinoline diphosphate
  • 8-((4-Amino-1-methylbutyl)amino)-6-methoxyquinoline phosphate (1:2)
  • CCRIS 1946
  • EINECS 200-560-8
  • NSC 149765
  • PRIMAQUINE PHOSPHATE
  • Primaquine bis(phosphate)
  • Primaquine diphosphate
  • Primaquine phosphate [USAN]
  • Quinoline, 8-((4-amino-1-methylbutyl)amino)-6-methoxy-, phosphate (1:2)
  • SPECTRUM1500500
  • NCGC00094767-01
  • NCGC00094767-02
  • Prestwick_406
  • D02126
  • Primaquine (TN)
  • Primaquine phosphate (USP)
  • 160393_ALDRICH
  • 8-(4-Amino-1-methylbutylamino)-6-methoxyquinoline diphosphate salt
  • Primaquine bisphosphate
  • Primaquine diphosphate salt
  • 1,4-Pentanediamine, N(sup 4)-(6-methoxy-8-quinolinyl)-, phosphate (1:2)

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Homo sapiens thyroid hormone receptor, beta Starlite/ChEMBL No references
Homo sapiens lysine (K)-specific demethylase 4E Starlite/ChEMBL No references

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Schistosoma japonicum expressed protein Get druggable targets OG5_134830 All targets in OG5_134830
Echinococcus multilocularis Mitotic checkpoint protein PRCC, C terminal Get druggable targets OG5_134830 All targets in OG5_134830
Schistosoma japonicum ko:K08362 nuclear receptor, subfamily 1, group A, member 2, putative Get druggable targets OG5_134830 All targets in OG5_134830
Schistosoma japonicum Thyroid hormone receptor alpha, putative Get druggable targets OG5_134830 All targets in OG5_134830
Echinococcus multilocularis thyroid hormone receptor alpha Get druggable targets OG5_134830 All targets in OG5_134830
Schistosoma mansoni thyroid hormone receptor Get druggable targets OG5_134830 All targets in OG5_134830
Echinococcus granulosus Mitotic checkpoint protein PRCC C terminal Get druggable targets OG5_134830 All targets in OG5_134830
Schistosoma japonicum Thyroid hormone receptor alpha, putative Get druggable targets OG5_134830 All targets in OG5_134830
Schistosoma mansoni hypothetical protein Get druggable targets OG5_134830 All targets in OG5_134830
Schistosoma mansoni thyroid hormone receptor Get druggable targets OG5_134830 All targets in OG5_134830
By sequence similarity to non orthologous known druggable targets
Species Potential target Known druggable target Length Alignment span Identity
Brugia malayi photoreceptor-specific nuclear receptor thyroid hormone receptor, beta 461 aa 414 aa 24.6 %
Obtained from network model

Ranking Plot

Putative Targets List

Species Potential target Raw Global Species
Loa Loa (eye worm) prenyltransferase and squalene oxidase repeat family protein 0.0728766 0.159046 0.57048
Trichomonas vaginalis geranylgeranyl transferase type I beta subunit, putative 0.0728766 0.159046 0.57048
Entamoeba histolytica protein farnesyltransferase beta subunit, putative 0.0728766 0.159046 0.57048
Toxoplasma gondii 1-deoxy-D-xylulose 5-phosphate reductoisomerase, putative 0.395036 1 1
Schistosoma mansoni protein farnesyltransferase alpha subunit 0.11875 0.278793 1
Trichomonas vaginalis geranylgeranyl transferase type I beta subunit, putative 0.0166449 0.0122599 0.0439752
Echinococcus multilocularis Glutamate receptor, ionotropic kainate 2 0.034068 0.0577406 0.194351
Schistosoma mansoni rab geranylgeranyl transferase alpha subunit 0.0222284 0.0268348 0.069798
Trypanosoma cruzi C-8 sterol isomerase, putative 0.0785748 0.17392 1
Echinococcus multilocularis nmda type glutamate receptor 0.0168342 0.0127542 0.0303934
Loa Loa (eye worm) nicotinic acetylcholine receptor alpha subunit 0.0292996 0.0452933 0.162462
Mycobacterium ulcerans 1-deoxy-D-xylulose 5-phosphate reductoisomerase 0.395036 1 1
Echinococcus granulosus nmda type glutamate receptor 0.0250644 0.0342381 0.108694
Trypanosoma brucei geranylgeranyl transferase type II beta subunit, putative 0.0166449 0.0122599 0.070492
Trypanosoma brucei Protein prenyltransferase alpha subunit repeat, putative 0.0222284 0.0268348 0.154294
Plasmodium vivax protein prenyltransferase alpha subunit, putative 0.0222284 0.0268348 0.0147558
Trypanosoma brucei C-8 sterol isomerase, putative 0.0785748 0.17392 1
Trichomonas vaginalis voltage and ligand gated potassium channel, putative 0.0139246 0.00515901 0.0185049
Echinococcus multilocularis Glutamate receptor, ionotropic kainate 2 0.034068 0.0577406 0.194351
Trypanosoma cruzi hypothetical protein, conserved 0.0222284 0.0268348 0.154294
Echinococcus multilocularis glutamate receptor 2 0.0226431 0.0279175 0.0856577
Loa Loa (eye worm) voltage and ligand gated potassium channel 0.0151793 0.00843411 0.0302523
Echinococcus multilocularis nmda type glutamate receptor 0.0250644 0.0342381 0.108694
Echinococcus multilocularis Rab geranylgeranyltransferase, beta subunit 0.0166449 0.0122599 0.0285921
Trypanosoma cruzi Protein prenyltransferase alpha subunit repeat, putative 0.0222284 0.0268348 0.154294
Echinococcus granulosus Glutamate receptor ionotropic kainate 2 0.034068 0.0577406 0.194351
Echinococcus multilocularis glutamate receptor, ionotrophic, AMPA 3 0.034068 0.0577406 0.194351
Brugia malayi Prenyltransferase and squalene oxidase repeat family protein 0.0166449 0.0122599 0.0439752
Schistosoma mansoni glutamate receptor NMDA 0.0477076 0.0933449 0.315347
Plasmodium falciparum protein farnesyltransferase subunit beta 0.0728766 0.159046 0.148607
Trichomonas vaginalis geranylgeranyl transferase type II beta subunit, putative 0.0728766 0.159046 0.57048
Loa Loa (eye worm) hypothetical protein 0.11875 0.278793 1
Echinococcus granulosus nicotinic acetylcholine receptor alpha subunit 0.0292996 0.0452933 0.148986
Treponema pallidum 1-deoxy-D-xylulose 5-phosphate reductoisomerase 0.395036 1 0.5
Giardia lamblia Prenyltransferase 0.0728766 0.159046 0.550723
Echinococcus multilocularis nicotinic acetylcholine receptor a11 subunit 0.0292996 0.0452933 0.148986
Schistosoma mansoni voltage-gated potassium channel 0.0167354 0.0124962 0.0168615
Echinococcus granulosus glutamate receptor 2 0.0226431 0.0279175 0.0856577
Echinococcus multilocularis glutamate (NMDA) receptor subunit 0.0656153 0.140091 0.494486
Schistosoma mansoni voltage-gated potassium channel 0.0167354 0.0124962 0.0168615
Plasmodium vivax prenyltransferase alpha subunit, putative 0.11875 0.278793 0.269841
Echinococcus granulosus potassium voltage gated channel subfamily H 0.0151793 0.00843411 0.0146484
Echinococcus granulosus nicotinic acetylcholine receptor subunit alpha 8 0.0292996 0.0452933 0.148986
Trichomonas vaginalis protein farnesyltransferase alpha subunit, putative 0.11875 0.278793 1
Schistosoma mansoni glutamate receptor NMDA 0.0656153 0.140091 0.487928
Trichomonas vaginalis geranylgeranyl transferase type II beta subunit, putative 0.0728766 0.159046 0.57048
Leishmania major geranylgeranyltransferase, putative 0.0166449 0.0122599 0.070492
Schistosoma mansoni ATP-binding cassette transporter 0.0308733 0.0494014 0.153111
Echinococcus multilocularis glutamate receptor 2 0.0308733 0.0494014 0.163958
Schistosoma mansoni glutamate receptor kainate 0.0308733 0.0494014 0.153111
Echinococcus granulosus nmda type glutamate receptor 0.0168342 0.0127542 0.0303934
Brugia malayi Glutamate receptor 1 precursor 0.0308733 0.0494014 0.177198
Echinococcus granulosus protein farnesyltransferase subunit beta 0.0728766 0.159046 0.563568
Trypanosoma cruzi protein farnesyltransferase alpha subunit, putative 0.0222284 0.0268348 0.154294
Schistosoma mansoni glutamate receptor kainate 0.0308733 0.0494014 0.153111
Chlamydia trachomatis 1-deoxy-D-xylulose 5-phosphate reductoisomerase 0.395036 1 0.5
Loa Loa (eye worm) hypothetical protein 0.0292996 0.0452933 0.162462
Echinococcus multilocularis tm gpcr rhodopsin gpcr rhodopsin superfamily 0.108564 0.252203 0.903092
Echinococcus multilocularis geranylgeranyl transferase type I beta subunit 0.0166449 0.0122599 0.0285921
Trypanosoma cruzi protein farnesyltransferase, putative 0.0728766 0.159046 0.914476
Trypanosoma cruzi lanosterol synthase, putative 0.0166449 0.0122599 0.070492
Schistosoma mansoni geranylgeranyl transferase type I beta subunit 0.0166449 0.0122599 0.0159892
Trypanosoma cruzi hypothetical protein, conserved 0.0166449 0.0122599 0.070492
Trypanosoma cruzi protein farnesyltransferase alpha subunit, putative 0.0222284 0.0268348 0.154294
Echinococcus multilocularis protein prenyltransferase alpha subunit 0.0222284 0.0268348 0.0817118
Echinococcus granulosus glutamate receptor 2 0.034068 0.0577406 0.194351
Echinococcus multilocularis nicotinic acetylcholine receptor alpha subunit 0.0292996 0.0452933 0.148986
Toxoplasma gondii hypothetical protein 0.0222284 0.0268348 0.0268348
Onchocerca volvulus 0.0222284 0.0268348 0.505985
Plasmodium falciparum protein farnesyltransferase subunit alpha 0.11875 0.278793 0.269841
Echinococcus granulosus geranylgeranyl transferase type 2 subunit alpha 0.0222284 0.0268348 0.0817118
Loa Loa (eye worm) hypothetical protein 0.0403473 0.0741319 0.265903
Echinococcus granulosus glutamate NMDA receptor subunit 0.0656153 0.140091 0.494486
Trypanosoma cruzi hypothetical protein, conserved 0.0166449 0.0122599 0.070492
Entamoeba histolytica protein farnesyltransferase alpha subunit, putative 0.11875 0.278793 1
Leishmania major protein farnesyltransferase alpha subunit, putative 0.0222284 0.0268348 0.154294
Leishmania major farnesyltransferase beta subunit 0.0728766 0.159046 0.914476
Loa Loa (eye worm) glutamate receptor 2 0.0308733 0.0494014 0.177198
Trichomonas vaginalis protein farnesyltransferase alpha subunit/RAB geranylgeranyl transferase alpha subunit, putative 0.0965219 0.220768 0.791873
Brugia malayi ERG2 and Sigma1 receptor like protein 0.0785748 0.17392 0.623832
Echinococcus granulosus geranylgeranyl transferase type I beta subunit 0.0166449 0.0122599 0.0285921
Loa Loa (eye worm) glutamate receptor 1 0.0308733 0.0494014 0.177198
Schistosoma mansoni protein farnesyltransferase subunit beta 0.0728766 0.159046 0.557906
Brugia malayi Glutamate receptor 2 precursor 0.0308733 0.0494014 0.177198
Brugia malayi Protein prenyltransferase alpha subunit repeat containing protein 0.11875 0.278793 1
Brugia malayi Voltage-gated potassium channel, HERG (KCNH2)-related. C. elegans unc-103 ortholog 0.0151793 0.00843411 0.0302523
Echinococcus granulosus Glutamate receptor ionotropic kainate 2 0.034068 0.0577406 0.194351
Loa Loa (eye worm) hypothetical protein 0.0166449 0.0122599 0.0439752
Trichomonas vaginalis protein farnesyltransferase alpha subunit, putative 0.0222284 0.0268348 0.0962537
Brugia malayi Cation transporter family protein 0.0149858 0.00792907 0.0284408
Echinococcus multilocularis glutamate receptor 2 0.034068 0.0577406 0.194351
Echinococcus multilocularis nicotinic acetylcholine receptor subunit alpha 8 0.0292996 0.0452933 0.148986
Trichomonas vaginalis protein farnesyltransferase alpha subunit, putative 0.11875 0.278793 1
Loa Loa (eye worm) hypothetical protein 0.0130276 0.00281747 0.010106
Echinococcus multilocularis geranylgeranyl transferase type 2 subunit alpha 0.0222284 0.0268348 0.0817118
Trichomonas vaginalis geranylgeranyl transferase type II beta subunit, putative 0.0728766 0.159046 0.57048
Entamoeba histolytica Rab geranylgeranyltransferase beta subunit, putative 0.0166449 0.0122599 0.0439752
Trypanosoma cruzi geranylgeranyl transferase type II beta subunit, putative 0.0166449 0.0122599 0.070492
Schistosoma mansoni glutamate receptor AMPA 0.0308733 0.0494014 0.153111
Toxoplasma gondii Rab geranylgeranyl transferase type II beta subunit, putative 0.0166449 0.0122599 0.0122599
Echinococcus granulosus nicotinic acetylcholine receptor a11 subunit 0.0292996 0.0452933 0.148986
Giardia lamblia Rab geranylgeranyltransferase 0.11875 0.278793 1
Echinococcus multilocularis potassium voltage gated channel subfamily H 0.0151793 0.00843411 0.0146484
Giardia lamblia Rab geranylgeranyltransferase 0.0222284 0.0268348 0.0546832
Trichomonas vaginalis type I geranylgeranyltransferase beta subunit, putative 0.0728766 0.159046 0.57048
Echinococcus multilocularis protein farnesyltransferase alpha subunit 0.11875 0.278793 1
Mycobacterium tuberculosis Probable 1-deoxy-D-xylulose 5-phosphate reductoisomerase Dxr (DXP reductoisomerase) (1-deoxyxylulose-5-phosphate reductoisomeras 0.126769 0.299725 1
Plasmodium vivax conserved Plasmodium protein, unknown function 0.0562317 0.115596 0.104619
Brugia malayi nicotinic acetylcholine receptor alpha subunit, putative 0.0292996 0.0452933 0.162462
Loa Loa (eye worm) prenyltransferase alpha subunit repeat containing protein 0.0222284 0.0268348 0.0962537
Loa Loa (eye worm) hypothetical protein 0.0149858 0.00792907 0.0284408
Echinococcus multilocularis protein farnesyltransferase subunit beta 0.0728766 0.159046 0.563568
Entamoeba histolytica geranylgeranyl transferase beta subunit 0.0166449 0.0122599 0.0439752
Leishmania major C-8 sterol isomerase-like protein 0.0785748 0.17392 1
Trypanosoma brucei protein farnesyltransferase beta subunit 0.0728766 0.159046 0.914476
Trypanosoma brucei Protein prenyltransferase alpha subunit repeat, putative 0.0222284 0.0268348 0.154294
Schistosoma mansoni glutamate receptor AMPA 0.0308733 0.0494014 0.153111
Echinococcus granulosus tm gpcr rhodopsin 0.108564 0.252203 0.903092
Schistosoma mansoni geranylgeranyl transferase type I beta subunit 0.0166449 0.0122599 0.0159892
Trypanosoma cruzi hypothetical protein, conserved 0.0222284 0.0268348 0.154294
Entamoeba histolytica Rab geranylgeranyltransferase alpha subunit, putative 0.0222284 0.0268348 0.0962537
Plasmodium vivax farnesyltransferase beta subunit, putative 0.0728766 0.159046 0.148607
Loa Loa (eye worm) hypothetical protein 0.0149858 0.00792907 0.0284408
Plasmodium falciparum geranylgeranyl transferase type-2 subunit alpha, putative 0.0222284 0.0268348 0.0147558
Brugia malayi Probable protein farnesyltransferase beta subunit, putative 0.0166449 0.0122599 0.0439752
Schistosoma mansoni geranylgeranyl transferase type II beta subunit 0.0166449 0.0122599 0.0159892
Echinococcus multilocularis Glutamate receptor, ionotropic kainate 2 0.034068 0.0577406 0.194351
Loa Loa (eye worm) prenyltransferase alpha subunit repeat containing protein 0.11875 0.278793 1
Trypanosoma brucei lanosterol synthase 0.0166449 0.0122599 0.070492
Trichomonas vaginalis protein farnesyltransferase beta subunit, putative 0.0166449 0.0122599 0.0439752
Trichomonas vaginalis protein farnesyltransferase beta subunit, putative 0.0166449 0.0122599 0.0439752
Trypanosoma cruzi lanosterol synthase, putative 0.0166449 0.0122599 0.070492
Schistosoma mansoni glutamate receptor kainate 0.0308733 0.0494014 0.153111
Plasmodium vivax 1-deoxy-D-xylulose 5-phosphate reductoisomerase, putative 0.395036 1 1
Trypanosoma cruzi protein farnesyltransferase, putative 0.0728766 0.159046 0.914476
Wolbachia endosymbiont of Brugia malayi 1-deoxy-D-xylulose 5-phosphate reductoisomerase 0.395036 1 0.5
Mycobacterium leprae PROBABLE 1-DEOXY-D-XYLULOSE 5-PHOSPHATE REDUCTOISOMERASE DXR (DXP REDUCTOISOMERASE) (1-DEOXYXYLULOSE-5-PHOSPHATE REDUCTOISOMERAS 0.395036 1 0.5
Brugia malayi Prenyltransferase and squalene oxidase repeat family protein 0.0728766 0.159046 0.57048
Onchocerca volvulus Putative nachr subunit 0.0292996 0.0452933 1
Toxoplasma gondii prenyltransferase and squalene oxidase repeat-containing protein 0.0728766 0.159046 0.159046
Trichomonas vaginalis voltage and ligand gated potassium channel, putative 0.0139246 0.00515901 0.0185049
Plasmodium falciparum 1-deoxy-D-xylulose 5-phosphate reductoisomerase 0.395036 1 1
Loa Loa (eye worm) hypothetical protein 0.0785748 0.17392 0.623832
Trichomonas vaginalis geranylgeranyl transferase type beta subunit, putative 0.0728766 0.159046 0.57048
Loa Loa (eye worm) hypothetical protein 0.0166449 0.0122599 0.0439752
Brugia malayi Protein prenyltransferase alpha subunit repeat containing protein 0.0222284 0.0268348 0.0962537
Echinococcus granulosus protein farnesyltransferase alpha subunit 0.11875 0.278793 1
Toxoplasma gondii prenyltransferase and squalene oxidase repeat-containing protein 0.0166449 0.0122599 0.0122599
Echinococcus granulosus Glutamate receptor ionotropic kainate 2 0.034068 0.0577406 0.194351
Loa Loa (eye worm) prenyltransferase and squalene oxidase repeat family protein 0.0166449 0.0122599 0.0439752
Trypanosoma brucei hypothetical protein, conserved 0.0222284 0.0268348 0.154294
Toxoplasma gondii hypothetical protein 0.0965219 0.220768 0.220768
Trichomonas vaginalis protein farnesyltransferase alpha subunit/RAB geranylgeranyl transferase alpha subunit, putative 0.11875 0.278793 1
Echinococcus granulosus protein prenyltransferase alpha subunit 0.0222284 0.0268348 0.0817118
Trypanosoma brucei protein farnesyltransferase alpha subunit, putative 0.0222284 0.0268348 0.154294
Echinococcus granulosus glutamate receptor ionotrophic AMPA 3 0.034068 0.0577406 0.194351

Activities

Activity type Activity value Assay description Source Reference
Cures (functional) = 2 Number of animals found toxic out of five mice infected with Plasmodium berghei at 160 mg/kg(X 1) oral administration ChEMBL. 7131488
Cures (functional) = 5 Number of animals found toxic out of five mice infected with Plasmodium berghei at 320 mg/kg(X 1) oral administration ChEMBL. 7131488
Cures (functional) = 5 Number of animals found toxic out of five mice infected with Plasmodium berghei at 640 mg/kg(X 1) oral administration ChEMBL. 7131488
Delta MST (functional) = 9 Mean survival time of mice(P. berghei) at a dose of 80mg/kg, total no. of mice = 5 ChEMBL. 4067985
Delta MST (functional) = 9 Mean survival time of mice(P. berghei) at a dose of 80mg/kg, total no. of mice = 5 ChEMBL. 4067985
IC50 (functional) = 0.794 uM HARVARD: Inhibition of blood stage Plasmodium falciparum Dd2 infection ChEMBL. 22586124
IC50 (functional) = 7.4 uM HARVARD: Inhibition of liver stage Plasmodium berghei infection in HepG2 cells ChEMBL. 22586124
IC50 > 100 uM HARVARD: Cytotoxicity in HepG2 cell line ChEMBL. 22586124
Ka (binding) = 8 10^5/M Binding affinity to human ORM1 at 37 degC by induced circular dichroism method ChEMBL. 18289858
MST (functional) = 4 Suppressive antimalarial activity against Plasmodium berghei, Rane mouse test (five mouse) 20 mg/kg (X 1) ChEMBL. 7131488
MST (functional) = 5 Suppressive antimalarial activity against Plasmodium berghei, Rane mouse test (five mouse) 40 mg/kg (X 1) ChEMBL. 7131488
MST (functional) = 9.4 Suppressive antimalarial activity against Plasmodium berghei, Rane mouse test (five mouse)80 mg/kg (X 1) ChEMBL. 7131488
MST (functional) = 10.8 Suppressive antimalarial activity against Plasmodium berghei, Rane mouse test (five mouse) at a dose of 160 mg/kg (X 1) ChEMBL. 7131488
MST (functional) = 2.2 day Mean survival time of Plasmodium berghi infected mice after administration of single dose of 20 mg/kg intravenously ChEMBL. 7205891
MST (functional) = 4 day Mean survival time of Plasmodium berghi infected mice after administration of single dose of 20 mg/kg intravenously ChEMBL. 7205891
MST (functional) = 4.2 day Mean survival time of Plasmodium berghi infected mice after administration of single dose of 40 mg/kg intravenously ChEMBL. 7205891
MST (functional) = 5 day Mean survival time of Plasmodium berghi infected mice after administration of single dose of 320 g/kg intravenously ChEMBL. 7205891
MST (functional) = 5 day Mean survival time of Plasmodium berghi infected mice after administration of single dose of 640 mg/kg intravenously ChEMBL. 7205891
MST (functional) = 5 day Mean survival time of Plasmodium berghi infected mice after administration of single dose of 40 mg/kg intravenously ChEMBL. 7205891
MST (functional) = 6.4 day Mean survival time of Plasmodium berghi infected mice after administration of single dose of 80 mg/kg intravenously ChEMBL. 7205891
MST (functional) = 7 day Mean survival time of Plasmodium berghi infected mice after administration of single dose of 160 mg/kg intravenously ChEMBL. 7205891
MST (functional) = 9.4 day Mean survival time of Plasmodium berghi infected mice after administration of single dose of 80 mg/kg intravenously ChEMBL. 7205891
MST (functional) = 10.8 day Mean survival time of Plasmodium berghi infected mice after administration of single dose of 160 mg/kg intravenously ChEMBL. 7205891
Potency (functional) = 0.00001122 um PUBCHEM_BIOASSAY: Concentration Response Confirmation Assay for Inhibitors of the Interaction of Thyroid Hormone Receptor and Steroid Receptor Coregulator 2. (Class of assay: confirmatory) [Related pubchem assays: 1469 ] ChEMBL. No reference
Potency (functional) = 14.1254 um PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of Human Jumonji Domain Containing 2E (JMJD2E). (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) = 22.3872 um PUBCHEM_BIOASSAY: Cell-based Gene Reporter Secondary Assay to Characterize qHTS Inhibitors of the Interaction of Thyroid Hormone Receptor and Steroid Receptor Coregulator 2. (Class of assay: confirmatory) [Related pubchem assays: 1469 ] ChEMBL. No reference
Potency (functional) = 22.3872 um PUBCHEM_BIOASSAY: Cell Viability Secondary Assay to Characterize qHTS Inhibitors of the Interaction of Thyroid Hormone Receptor and Steroid Receptor Coregulator 2. (Class of assay: confirmatory) [Related pubchem assays: 1469 ] ChEMBL. No reference
Potency (functional) = 31.6228 um PUBCHEM_BIOASSAY: qHTS Assay for Allosteric/Competitive Inhibitors of Caspase-1. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 39.8107 uM PUBCHEM_BIOASSAY: Inhibitors of USP1/UAF1: Pilot qHTS. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID504878] ChEMBL. No reference
Toxic (functional) = 2 Antimalarial Activity against P. berghei in mice at a dose of 160 mg/kg and activity expressed as toxic deaths on dyas 2-5 ChEMBL. 4067985
Toxic (functional) = 5 Antimalarial Activity against P. berghei in mice at a dose of 640 mg/kg and activity expressed as toxic deaths on dyas 2-5 ChEMBL. 4067985
Toxic (functional) = 5 Antimalarial Activity against P. berghei in mice at a dose of 320 mg/kg and activity expressed as toxic deaths on dyas 2-5 ChEMBL. 4067985
Toxic (functional) = 2 Antimalarial Activity against P. berghei in mice at a dose of 160 mg/kg and activity expressed as toxic deaths on dyas 2-5 ChEMBL. 4067985
Toxic (functional) = 5 Antimalarial Activity against P. berghei in mice at a dose of 320 mg/kg and activity expressed as toxic deaths on dyas 2-5 ChEMBL. 4067985
Toxic (functional) = 5 Antimalarial Activity against P. berghei in mice at a dose of 640 mg/kg and activity expressed as toxic deaths on dyas 2-5 ChEMBL. 4067985

Phenotypes

Whole-cell/tissue/organism interactions

Species name Source Reference Is orphan
Plasmodium berghei ChEMBL23 22586124
Plasmodium falciparum ChEMBL23 22586124

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

703 literature references were collected for this gene.

If you have references for this compound, please enter them in a user comment (below) or Contact us.