Detailed information for compound 428810

Basic information

Technical information
  • TDR Targets ID: 428810
  • Name: N-[2-(dimethylaminomethyl)-4-(3-piperidin-1-y lpropoxy)phenyl]quinazolin-4-amine
  • MW: 419.562 | Formula: C25H33N5O
  • H donors: 1 H acceptors: 2 LogP: 4.46 Rotable bonds: 9
    Rule of 5 violations (Lipinski): 1
  • SMILES: CN(Cc1cc(OCCCN2CCCCC2)ccc1Nc1ncnc2c1cccc2)C
  • InChi: 1S/C25H33N5O/c1-29(2)18-20-17-21(31-16-8-15-30-13-6-3-7-14-30)11-12-23(20)28-25-22-9-4-5-10-24(22)26-19-27-25/h4-5,9-12,17,19H,3,6-8,13-16,18H2,1-2H3,(H,26,27,28)
  • InChiKey: XKJWHIKEQTVYTN-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

  • N-[2-(dimethylaminomethyl)-4-[3-(1-piperidyl)propoxy]phenyl]quinazolin-4-amine
  • N-[2-(dimethylaminomethyl)-4-[3-(1-piperidyl)propoxy]phenyl]-4-quinazolinamine
  • dimethyl-[5-(3-piperidinopropoxy)-2-(quinazolin-4-ylamino)benzyl]amine

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Rattus norvegicus Histamine H3 receptor Starlite/ChEMBL References
Homo sapiens histamine receptor H3 Starlite/ChEMBL References
Homo sapiens potassium voltage-gated channel, subfamily H (eag-related), member 2 Starlite/ChEMBL References

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Schistosoma mansoni voltage-gated potassium channel Get druggable targets OG5_128858 All targets in OG5_128858
Trichomonas vaginalis voltage and ligand gated potassium channel, putative Get druggable targets OG5_128858 All targets in OG5_128858
Schistosoma mansoni voltage-gated potassium channel Get druggable targets OG5_128858 All targets in OG5_128858
Schistosoma japonicum Potassium voltage-gated channel subfamily H member 2, putative Get druggable targets OG5_128858 All targets in OG5_128858
Brugia malayi Voltage-gated potassium channel, HERG (KCNH2)-related. C. elegans unc-103 ortholog Get druggable targets OG5_128858 All targets in OG5_128858
Schistosoma japonicum ko:K04910 potassium voltage-gated channel, Eag-related subfamily H, member 7, putative Get druggable targets OG5_128858 All targets in OG5_128858
Echinococcus multilocularis potassium voltage gated channel subfamily H Get druggable targets OG5_128858 All targets in OG5_128858
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_128858 All targets in OG5_128858
Loa Loa (eye worm) voltage and ligand gated potassium channel Get druggable targets OG5_128858 All targets in OG5_128858
Echinococcus granulosus potassium voltage gated channel subfamily H Get druggable targets OG5_128858 All targets in OG5_128858
Schistosoma japonicum ko:K04910 potassium voltage-gated channel, Eag-related subfamily H, member 7, putative Get druggable targets OG5_128858 All targets in OG5_128858
Trichomonas vaginalis voltage and ligand gated potassium channel, putative Get druggable targets OG5_128858 All targets in OG5_128858
By sequence similarity to non orthologous known druggable targets
Species Potential target Known druggable target Length Alignment span Identity
Echinococcus granulosus biogenic amine 5HT receptor Histamine H3 receptor   445 aa 405 aa 25.2 %
Loa Loa (eye worm) hypothetical protein Histamine H3 receptor   445 aa 384 aa 22.4 %
Obtained from network model

Ranking Plot

Putative Targets List

Species Potential target Raw Global Species
Loa Loa (eye worm) hypothetical protein 0.0009 0.0009 0.0009
Trichomonas vaginalis voltage and ligand gated potassium channel, putative 0.0042 0.0309 0.0412
Brugia malayi ImpB/MucB/SamB family protein 0.0019 0.0099 0.0099
Echinococcus multilocularis dna polymerase kappa 0.0019 0.0099 0.0115
Schistosoma mansoni axis inhibition protein axin 0.0156 0.1359 0.1359
Echinococcus granulosus [G-protein-coupledreceptor] kinase 0.0945 0.857 1
Echinococcus granulosus cGMP dependent protein kinase 0.001 0.0016 0.0019
Brugia malayi regulator of G-protein signaling egl-10 0.0156 0.1359 0.1359
Trypanosoma brucei DNA polymerase IV, putative 0.0019 0.0099 0.2639
Echinococcus granulosus GPCR family 2 0.0015 0.0068 0.0079
Loa Loa (eye worm) hypothetical protein 0.0035 0.0246 0.0246
Schistosoma mansoni serine/threonine protein kinase 0.001 0.0016 0.0016
Echinococcus multilocularis GPCR, family 2 0.0015 0.0068 0.0079
Echinococcus multilocularis potassium voltage gated channel subfamily H 0.0045 0.0336 0.0392
Schistosoma mansoni regulator of G protein signaling 0.0156 0.1359 0.1359
Trichomonas vaginalis conserved hypothetical protein 0.0156 0.1359 0.1855
Echinococcus multilocularis potassium:sodium hyperpolarization activated 0.0009 0.0009 0.001
Echinococcus granulosus potassium:sodium hyperpolarization activated 0.0009 0.0009 0.001
Schistosoma mansoni voltage-gated potassium channel 0.0013 0.0046 0.0046
Echinococcus granulosus diuretic hormone 44 receptor GPRdih2 0.0015 0.0068 0.0079
Loa Loa (eye worm) AGC/GRK/GRK protein kinase 0.0945 0.857 0.857
Loa Loa (eye worm) hypothetical protein 0.0156 0.1359 0.1359
Echinococcus granulosus axis inhibition protein axin 0.0156 0.1359 0.1585
Schistosoma mansoni family S12 unassigned peptidase (S12 family) 0.0035 0.0246 0.0246
Loa Loa (eye worm) glutaminase 0.0804 0.7285 0.7285
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.0048 0.0369 0.0369
Mycobacterium tuberculosis Probable conserved lipoprotein 0.0035 0.0246 0.0793
Loa Loa (eye worm) hypothetical protein 0.0035 0.0246 0.0246
Brugia malayi Voltage-gated potassium channel, HERG (KCNH2)-related. C. elegans unc-103 ortholog 0.0045 0.0336 0.0336
Brugia malayi ImpB/MucB/SamB family protein 0.0019 0.0099 0.0099
Trichomonas vaginalis D-aminoacylase, putative 0.0035 0.0246 0.0326
Loa Loa (eye worm) hypothetical protein 0.0156 0.1359 0.1359
Echinococcus multilocularis cGMP dependent protein kinase 1 0.001 0.0016 0.0019
Echinococcus multilocularis beta LACTamase domain containing family member 0.0035 0.0246 0.0287
Echinococcus multilocularis A kinase anchor protein 10, mitochondrial 0.0156 0.1359 0.1585
Brugia malayi glutaminase DH11.1 0.0804 0.7285 0.7285
Loa Loa (eye worm) hypothetical protein 0.0156 0.1359 0.1359
Entamoeba histolytica hypothetical protein 0.0156 0.1359 1
Schistosoma mansoni regulator of G protein signaling 0.0156 0.1359 0.1359
Mycobacterium tuberculosis Probable lipase LipE 0.0035 0.0246 0.0793
Mycobacterium ulcerans lipase LipD 0.0035 0.0246 0.0205
Echinococcus multilocularis dna polymerase eta 0.0019 0.0099 0.0115
Loa Loa (eye worm) hypothetical protein 0.0039 0.0282 0.0282
Schistosoma mansoni hypothetical protein 0.0015 0.0068 0.0068
Onchocerca volvulus 0.0035 0.0246 0.5
Brugia malayi calcium-independent alpha-latrotoxin receptor 2, putative 0.0015 0.0068 0.0068
Loa Loa (eye worm) PXA domain-containing protein 0.0156 0.1359 0.1359
Brugia malayi Regulator of G protein signaling domain containing protein 0.0156 0.1359 0.1359
Schistosoma mansoni terminal deoxycytidyl transferase 0.0019 0.0099 0.0099
Leishmania major DNA polymerase kappa, putative 0.0019 0.0099 0.358
Loa Loa (eye worm) hypothetical protein 0.0033 0.0229 0.0229
Loa Loa (eye worm) hypothetical protein 0.0035 0.0246 0.0246
Trichomonas vaginalis conserved hypothetical protein 0.0156 0.1359 0.1855
Loa Loa (eye worm) glutaminase 2 0.0804 0.7285 0.7285
Loa Loa (eye worm) hypothetical protein 0.0156 0.1359 0.1359
Echinococcus multilocularis regulator of G protein signaling 0.0156 0.1359 0.1585
Echinococcus multilocularis axis inhibition protein axin 0.0156 0.1359 0.1585
Echinococcus multilocularis regulator of G protein signaling 7 0.0156 0.1359 0.1585
Echinococcus multilocularis Regulator of G protein signaling 20 0.0156 0.1359 0.1585
Entamoeba histolytica hypothetical protein 0.0035 0.0246 0.117
Echinococcus multilocularis axis inhibition protein axin 0.0156 0.1359 0.1585
Loa Loa (eye worm) hypothetical protein 0.0156 0.1359 0.1359
Mycobacterium ulcerans fusion of enoyl-CoA hydratase, EchA21 and lipase, LipE 0.0035 0.0246 0.0205
Trichomonas vaginalis DNA polymerase eta, putative 0.0019 0.0099 0.0124
Echinococcus granulosus hyperpolarization activated cyclic 0.0009 0.0009 0.001
Loa Loa (eye worm) latrophilin receptor protein 2 0.0015 0.0068 0.0068
Echinococcus granulosus Regulator of G protein signaling 20 0.0156 0.1359 0.1585
Mycobacterium ulcerans esterase/lipase LipP 0.0035 0.0246 0.0205
Schistosoma mansoni regulator of G protein signaling 0.0156 0.1359 0.1359
Loa Loa (eye worm) AGC/GRK/GRK protein kinase 0.1101 1 1
Brugia malayi MH2 domain containing protein 0.0115 0.0983 0.0983
Echinococcus granulosus A kinase anchor protein 10 mitochondrial 0.0156 0.1359 0.1585
Loa Loa (eye worm) MH2 domain-containing protein 0.0115 0.0983 0.0983
Echinococcus multilocularis G protein coupled receptor kinase 6 0.0945 0.857 1
Schistosoma mansoni voltage-gated potassium channel 0.0049 0.0373 0.0373
Echinococcus multilocularis hyperpolarization activated cyclic 0.0009 0.0009 0.001
Loa Loa (eye worm) voltage and ligand gated potassium channel 0.0045 0.0336 0.0336
Mycobacterium ulcerans hypothetical protein 0.0035 0.0246 0.0205
Loa Loa (eye worm) cyclic-nucleotide gated cation channel 0.0009 0.0009 0.0009
Echinococcus multilocularis diuretic hormone 44 receptor GPRdih2 0.0015 0.0068 0.0079
Mycobacterium ulcerans beta-lactamase 0.0035 0.0246 0.0205
Trichomonas vaginalis conserved hypothetical protein 0.0156 0.1359 0.1855
Schistosoma mansoni voltage-gated potassium channel 0.0049 0.0373 0.0373
Schistosoma mansoni serine/threonine protein kinase 0.001 0.0016 0.0016
Giardia lamblia DINP protein human, muc B family 0.0019 0.0099 0.5
Mycobacterium tuberculosis Conserved protein 0.0035 0.0246 0.0793
Trichomonas vaginalis DNA polymerase IV / kappa, putative 0.0019 0.0099 0.0124
Echinococcus granulosus cyclic nucleotide gated cation channel 0.0009 0.0009 0.001
Brugia malayi Cyclic-nucleotide gated cation channel 0.0009 0.0009 0.0009
Trypanosoma brucei DNA polymerase IV, putative 0.0019 0.0099 0.2639
Echinococcus multilocularis atpase aaa+ type core atpase aaa type core 0.0783 0.7095 0.8279
Loa Loa (eye worm) beta-LACTamase domain containing family member 0.0035 0.0246 0.0246
Loa Loa (eye worm) ImpB/MucB/SamB family protein 0.0019 0.0099 0.0099
Trypanosoma brucei DNA polymerase kappa, putative 0.0019 0.0099 0.2639
Trypanosoma brucei DNA polymerase kappa, putative 0.0019 0.0099 0.2639
Schistosoma mansoni serine/threonine protein kinase 0.016 0.1393 0.1393
Mycobacterium tuberculosis Conserved protein 0.0035 0.0246 0.0793
Trichomonas vaginalis conserved hypothetical protein 0.0156 0.1359 0.1855
Schistosoma mansoni regulator of G protein signaling 0.0156 0.1359 0.1359
Schistosoma mansoni rab geranylgeranyl transferase alpha subunit 0.0019 0.0099 0.0099
Loa Loa (eye worm) follicle stimulating hormone receptor 0.0229 0.2028 0.2028
Schistosoma mansoni hypothetical protein 0.0035 0.0246 0.0246
Loa Loa (eye worm) cyclic-nucleotide gated cation channel 0.0009 0.0009 0.0009
Echinococcus granulosus cyclic nucleotide gated cation channel alpha 3 0.0009 0.0009 0.001
Entamoeba histolytica hypothetical protein 0.0156 0.1359 1
Echinococcus multilocularis Basic leucine zipper (bZIP) transcription 0.0035 0.0246 0.0287
Mycobacterium leprae conserved hypothetical protein 0.0035 0.0246 0.5
Trichomonas vaginalis D-aminoacylase, putative 0.0035 0.0246 0.0326
Onchocerca volvulus 0.0035 0.0246 0.5
Entamoeba histolytica hypothetical protein 0.0035 0.0246 0.117
Mycobacterium tuberculosis Conserved protein 0.0035 0.0246 0.0793
Loa Loa (eye worm) transcription factor SMAD2 0.0115 0.0983 0.0983
Trypanosoma brucei DNA polymerase kappa, putative 0.0019 0.0099 0.2639
Leishmania major DNA polymerase eta, putative 0.0019 0.0099 0.358
Schistosoma mansoni axis inhibition protein axin 0.0156 0.1359 0.1359
Schistosoma mansoni cyclic-nucleotide-gated cation channel 0.0009 0.0009 0.0009
Schistosoma mansoni hypothetical protein 0.0015 0.0068 0.0068
Schistosoma mansoni DNA polymerase eta 0.0019 0.0099 0.0099
Onchocerca volvulus 0.0035 0.0246 0.5
Trypanosoma brucei DNA polymerase kappa, putative 0.0019 0.0099 0.2639
Brugia malayi Regulator of G protein signaling domain containing protein 0.0156 0.1359 0.1359
Echinococcus granulosus dna polymerase kappa 0.0019 0.0099 0.0115
Echinococcus multilocularis terminal deoxycytidyl transferase rev1 0.0019 0.0099 0.0115
Echinococcus granulosus hyperpolarization activated cyclic 0.0009 0.0009 0.001
Schistosoma mansoni hypothetical protein 0.0033 0.0229 0.0229
Brugia malayi follicle stimulating hormone receptor 0.0229 0.2028 0.2028
Echinococcus multilocularis hyperpolarization activated cyclic 0.0009 0.0009 0.001
Trichomonas vaginalis esterase, putative 0.0035 0.0246 0.0326
Echinococcus granulosus voltage gated potassium channel 0.0013 0.0046 0.0054
Trypanosoma brucei DNA polymerase kappa, putative 0.0019 0.0099 0.2639
Loa Loa (eye worm) hypothetical protein 0.0156 0.1359 0.1359
Echinococcus multilocularis regulator of G protein signaling 3 0.0156 0.1359 0.1585
Schistosoma mansoni voltage-gated potassium channel 0.0009 0.0009 0.0009
Echinococcus multilocularis regulator of G protein signaling 7 0.0156 0.1359 0.1585
Brugia malayi PXA domain containing protein 0.0156 0.1359 0.1359
Echinococcus granulosus beta LACTamase domain containing family member 0.0035 0.0246 0.0287
Schistosoma mansoni regulator of G protein signaling 0.0156 0.1359 0.1359
Echinococcus granulosus expressed protein 0.0156 0.1359 0.1585
Schistosoma mansoni cyclic-nucleotide-gated cation channel 0.0009 0.0009 0.0009
Schistosoma mansoni family S12 unassigned peptidase (S12 family) 0.0035 0.0246 0.0246
Trypanosoma brucei DNA polymerase kappa, putative 0.0019 0.0099 0.2639
Echinococcus multilocularis regulator of G protein signaling 3 0.0156 0.1359 0.1585
Trypanosoma cruzi hypothetical protein, conserved 0.0035 0.0246 1
Loa Loa (eye worm) AGC/GRK/BARK protein kinase 0.016 0.1393 0.1393
Schistosoma mansoni voltage-gated potassium channel 0.0013 0.0046 0.0046
Trypanosoma brucei DNA polymerase IV, putative 0.0019 0.0099 0.2639
Brugia malayi A-kinase anchor protein 10, precursor 0.0156 0.1359 0.1359
Echinococcus granulosus potassium voltage gated channel subfamily H 0.0013 0.0046 0.0054
Schistosoma mansoni hyperpolarization activated cyclic nucleotide-gated potassium channel 0.0009 0.0009 0.0009
Schistosoma mansoni cyclic-nucleotide-gated cation channel 0.0009 0.0009 0.0009
Trypanosoma brucei hypothetical protein, conserved 0.0035 0.0246 1
Trichomonas vaginalis voltage and ligand gated potassium channel, putative 0.0042 0.0309 0.0412
Schistosoma mansoni regulator of G protein signaling 3 rgs3 0.0156 0.1359 0.1359
Schistosoma mansoni transcription factor LCR-F1 0.0035 0.0246 0.0246
Echinococcus granulosus potassium voltage gated channel subfamily H 0.0045 0.0336 0.0392
Schistosoma mansoni z-protein (S1r protein) 0.0156 0.1359 0.1359
Loa Loa (eye worm) hypothetical protein 0.0048 0.0369 0.0369
Mycobacterium tuberculosis Possible penicillin-binding protein 0.0222 0.1961 1
Mycobacterium ulcerans glutaminase 0.0804 0.7285 1
Echinococcus granulosus dna polymerase eta 0.0019 0.0099 0.0115
Loa Loa (eye worm) hypothetical protein 0.0035 0.0246 0.0246
Echinococcus granulosus regulator of G protein signaling 7 0.0156 0.1359 0.1585
Echinococcus granulosus cadherin EGF LAG seven pass G type receptor 0.0015 0.0068 0.0079
Schistosoma mansoni regulator of G protein signaling 17 19 20 (rgs17 19 20) 0.0156 0.1359 0.1359
Brugia malayi beta-lactamase 0.0035 0.0246 0.0246
Leishmania major DNA polymerase kappa, putative,DNA polymerase IV, putative 0.0019 0.0099 0.358
Echinococcus multilocularis expressed protein 0.0156 0.1359 0.1585
Loa Loa (eye worm) hypothetical protein 0.0013 0.0046 0.0046
Plasmodium falciparum cGMP-dependent protein kinase 0.001 0.0016 0.5
Echinococcus multilocularis cyclic nucleotide gated cation channel 0.0009 0.0009 0.001
Echinococcus granulosus regulator of G protein signaling 3 0.0156 0.1359 0.1585
Mycobacterium tuberculosis Probable esterase/lipase LipP 0.0035 0.0246 0.0793
Trypanosoma brucei DNA polymerase kappa, putative 0.0019 0.0099 0.2639
Trichomonas vaginalis penicillin-binding protein, putative 0.0035 0.0246 0.0326
Brugia malayi hypothetical protein 0.0156 0.1359 0.1359
Schistosoma mansoni serine/threonine protein kinase 0.001 0.0016 0.0016
Schistosoma mansoni hypothetical protein 0.0015 0.0068 0.0068
Trypanosoma brucei DNA polymerase kappa, putative 0.0019 0.0099 0.2639
Trypanosoma brucei unspecified product 0.0019 0.0099 0.2639
Loa Loa (eye worm) hypothetical protein 0.0019 0.0099 0.0099
Echinococcus multilocularis potassium voltage gated channel subfamily H 0.0013 0.0046 0.0054
Trichomonas vaginalis regulator of G protein signaling 5, rgs5, putative 0.0156 0.1359 0.1855
Mycobacterium tuberculosis Probable hydrolase 0.0035 0.0246 0.0793
Echinococcus granulosus beta-adrenergic receptor kinase 0.016 0.1393 0.1626
Mycobacterium tuberculosis Possible conserved lipoprotein LpqK 0.0035 0.0246 0.0793
Brugia malayi Calcitonin receptor-like protein seb-1 0.0048 0.0369 0.0369
Toxoplasma gondii ABC1 family protein 0.0035 0.0246 1
Brugia malayi regulator of G-protein signaling rgs-7 0.0156 0.1359 0.1359
Trypanosoma cruzi hypothetical protein, conserved 0.0035 0.0246 1
Echinococcus granulosus Basic leucine zipper bZIP transcription 0.0035 0.0246 0.0287
Mycobacterium leprae Probable lipase LipE 0.0035 0.0246 0.5
Trichomonas vaginalis glutaminase, putative 0.0804 0.7285 1
Trichomonas vaginalis D-aminoacylase, putative 0.0035 0.0246 0.0326
Trypanosoma brucei DNA polymerase kappa, putative 0.0019 0.0099 0.2639
Echinococcus multilocularis cadherin EGF LAG seven pass G type receptor 0.0015 0.0068 0.0079
Echinococcus granulosus regulator of G protein signaling 7 0.0156 0.1359 0.1585
Schistosoma mansoni serine/threonine protein kinase 0.1101 1 1
Echinococcus granulosus terminal deoxycytidyl transferase rev1 0.0019 0.0099 0.0115
Echinococcus granulosus cGMP dependent protein kinase 1 0.001 0.0016 0.0019
Echinococcus multilocularis expressed conserved protein 0.001 0.0016 0.0019
Loa Loa (eye worm) G protein-coupled receptor kinase 1 0.0945 0.857 0.857
Loa Loa (eye worm) AGC/PKG protein kinase 0.001 0.0016 0.0016
Echinococcus granulosus regulator of G protein signaling 3 0.0156 0.1359 0.1585
Brugia malayi Probable G protein-coupled receptor kinase F19C6.1, putative 0.0945 0.857 0.857
Brugia malayi Egg laying defective protein 4 0.001 0.0016 0.0016
Mycobacterium tuberculosis Probable lipase LipD 0.0035 0.0246 0.0793
Brugia malayi beta-lactamase family protein 0.0035 0.0246 0.0246
Loa Loa (eye worm) RGS-3 protein 0.0156 0.1359 0.1359
Loa Loa (eye worm) G protein signaling regulator EGL-10 0.0156 0.1359 0.1359
Loa Loa (eye worm) hypothetical protein 0.0035 0.0246 0.0246
Brugia malayi beta-lactamase family protein 0.0035 0.0246 0.0246
Schistosoma mansoni hypothetical protein 0.0015 0.0068 0.0068
Loa Loa (eye worm) hypothetical protein 0.0035 0.0246 0.0246
Echinococcus granulosus axis inhibition protein axin 0.0156 0.1359 0.1585
Echinococcus multilocularis cyclic nucleotide gated cation channel alpha 3 0.0009 0.0009 0.001
Echinococcus granulosus cyclic nucleotide gated cation channel 0.0009 0.0009 0.001
Loa Loa (eye worm) beta-lactamase 0.0035 0.0246 0.0246
Brugia malayi hypothetical protein 0.0035 0.0246 0.0246
Echinococcus multilocularis beta adrenergic receptor kinase 0.016 0.1393 0.1626
Trichomonas vaginalis penicillin-binding protein, putative 0.0035 0.0246 0.0326
Echinococcus multilocularis cGMP dependent protein kinase 1 0.001 0.0016 0.0019
Trichomonas vaginalis conserved hypothetical protein 0.0156 0.1359 0.1855
Brugia malayi Hypothetical 52.5 kDa protein ZK945.1 in chromosome II, putative 0.0035 0.0246 0.0246
Brugia malayi Voltage-gated potassium channel, EAG (KCNH1)-related. C. elegans egl-2 ortholog 0.0013 0.0046 0.0046
Brugia malayi PXA domain containing protein 0.0156 0.1359 0.1359
Mycobacterium tuberculosis Probable esterase LipL 0.0035 0.0246 0.0793
Loa Loa (eye worm) hypothetical protein 0.0015 0.0068 0.0068
Leishmania major hypothetical protein, conserved 0.0035 0.0246 1
Trypanosoma brucei DNA polymerase kappa, putative 0.0019 0.0099 0.2639
Brugia malayi hypothetical protein 0.0156 0.1359 0.1359
Echinococcus multilocularis voltage gated potassium channel 0.0013 0.0046 0.0054
Entamoeba histolytica hypothetical protein 0.0035 0.0246 0.117
Brugia malayi Latrophilin receptor protein 2 0.0015 0.0068 0.0068
Entamoeba histolytica hypothetical protein 0.0035 0.0246 0.117
Schistosoma mansoni hyperpolarization activated cyclic nucleotide-gated potassium channel 0.0009 0.0009 0.0009
Schistosoma mansoni serine/threonine protein kinase 0.016 0.1393 0.1393
Trypanosoma brucei DNA polymerase eta, putative 0.0019 0.0099 0.2639
Trichomonas vaginalis conserved hypothetical protein 0.0156 0.1359 0.1855
Brugia malayi latrophilin 2 splice variant baaae 0.0033 0.0229 0.0229
Schistosoma mansoni glutaminase 0.0804 0.7285 0.7285
Loa Loa (eye worm) pigment dispersing factor receptor c 0.0048 0.0369 0.0369
Echinococcus granulosus cGMP dependent protein kinase 1 0.001 0.0016 0.0019
Plasmodium vivax hypothetical protein, conserved 0.0035 0.0246 0.5
Entamoeba histolytica hypothetical protein 0.0156 0.1359 1
Schistosoma mansoni regulator of G protein signaling 17 19 20 (rgs17 19 20) 0.0156 0.1359 0.1359

Activities

Activity type Activity value Assay description Source Reference
Activity (binding) = -2.5 % Displacement of [3H]pyrilamine from human histamine H1 receptor at 10 uM ChEMBL. 17498953
Activity (binding) = -2.5 % Displacement of [3H]pyrilamine from human histamine H1 receptor at 10 uM ChEMBL. 17498953
Activity (binding) = 2.4 % Displacement of [3H]tiotidine from human histamine H2 receptor at 10 uM ChEMBL. 17498953
Activity (binding) = 2.4 % Displacement of [3H]tiotidine from human histamine H2 receptor at 10 uM ChEMBL. 17498953
EC50 (functional) = 0.2 nM Inverse agonist activity at human histamine H3 receptor by GTP gammaS assay ChEMBL. 17498953
EC50 (functional) = 0.2 nM Inverse agonist activity at human histamine H3 receptor by GTP gammaS assay ChEMBL. 17498953
IC50 > 10 uM Inhibition of hERG at 10 uM ChEMBL. 17498953
IC50 > 10 uM Inhibition of hERG at 10 uM ChEMBL. 17498953
Ki (binding) = 0.3 nM Binding affinity to human histamine H3 receptor ChEMBL. 17498953
Ki (binding) = 0.3 nM Binding affinity to human histamine H3 receptor ChEMBL. 17498953
Ki (binding) = 9.8 nM Binding affinity to rat histamine H3 receptor ChEMBL. 17498953
Ki (binding) = 9.8 nM Binding affinity to rat histamine H3 receptor ChEMBL. 17498953

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.
 
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External resources for this compound

Bibliographic References

1 literature reference was collected for this gene.

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