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
Homo sapiens histamine receptor H3 Starlite/ChEMBL References
Rattus norvegicus Histamine H3 receptor 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 japonicum ko:K04910 potassium voltage-gated channel, Eag-related subfamily H, member 7, 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
Echinococcus granulosus potassium voltage gated channel subfamily H 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
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 mansoni voltage-gated potassium channel 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
Trichomonas vaginalis voltage and ligand gated potassium channel, putative 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 multilocularis 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
By sequence similarity to non orthologous known druggable targets
Species Potential target Known druggable target Length Alignment span Identity
Loa Loa (eye worm) hypothetical protein Histamine H3 receptor   445 aa 384 aa 22.4 %
Echinococcus granulosus biogenic amine 5HT receptor Histamine H3 receptor   445 aa 405 aa 25.2 %
Obtained from network model

Ranking Plot

Putative Targets List

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

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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