Detailed information for compound 277134

Basic information

Technical information
  • TDR Targets ID: 277134
  • Name: (1R,2R)-N-(cyclopropylmethyl)-8-methoxy-1-pro p-2-enyl-1,2,3,4-tetrahydronaphthalen-2-amine
  • MW: 271.397 | Formula: C18H25NO
  • H donors: 1 H acceptors: 0 LogP: 3.82 Rotable bonds: 6
    Rule of 5 violations (Lipinski): 1
  • SMILES: C=CC[C@H]1[C@H](NCC2CC2)CCc2c1c(OC)ccc2
  • InChi: 1S/C18H25NO/c1-3-5-15-16(19-12-13-8-9-13)11-10-14-6-4-7-17(20-2)18(14)15/h3-4,6-7,13,15-16,19H,1,5,8-12H2,2H3/t15-,16+/m0/s1
  • InChiKey: ZDGCYKNKBKUIBF-JKSUJKDBSA-N  


Substructure search Similarity search

Network

Hover on a compound node to display the structore

Synonyms

  • (1R,2R)-1-allyl-N-(cyclopropylmethyl)-8-methoxy-tetralin-2-amine
  • (1R,2R)-1-allyl-N-(cyclopropylmethyl)-8-methoxy-2-tetralinamine
  • [(1R,2R)-1-allyl-8-methoxy-tetralin-2-yl]-(cyclopropylmethyl)amine

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Homo sapiens 5-hydroxytryptamine (serotonin) receptor 1A, G protein-coupled Starlite/ChEMBL References

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Echinococcus multilocularis serotonin receptor Get druggable targets OG5_133249 All targets in OG5_133249
Echinococcus granulosus biogenic amine 5HT receptor Get druggable targets OG5_133249 All targets in OG5_133249
Schistosoma mansoni biogenic amine (5HT) receptor Get druggable targets OG5_133249 All targets in OG5_133249
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_133249 All targets in OG5_133249
Schistosoma japonicum Octopamine receptor, putative Get druggable targets OG5_133249 All targets in OG5_133249
Schistosoma japonicum ko:K04153 5-hydroxytryptamine (serotonin) receptor 1A, putative Get druggable targets OG5_133249 All targets in OG5_133249
Schistosoma japonicum expressed protein Get druggable targets OG5_133249 All targets in OG5_133249
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_133249 All targets in OG5_133249
Echinococcus multilocularis serotonin receptor Get druggable targets OG5_133249 All targets in OG5_133249
By sequence similarity to non orthologous known druggable targets
No druggable targets predicted by sequence similarity
Obtained from network model

Ranking Plot

Putative Targets List

Species Potential target Raw Global Species
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0053 0.0179 0.0179
Echinococcus granulosus FTZ F1 nuclear receptor protein 0.0018 0.0013 0.0013
Trichomonas vaginalis conserved hypothetical protein 0.0068 0.0249 0.0224
Loa Loa (eye worm) hypothetical protein 0.0035 0.0092 0.0092
Onchocerca volvulus 0.0027 0.0057 0.1858
Echinococcus granulosus nuclear receptor 2DBD gamma 0.0018 0.0013 0.0013
Loa Loa (eye worm) nuclear hormone receptor family member nhr-41 0.0018 0.0013 0.0013
Brugia malayi beta-lactamase 0.0035 0.0092 0.008
Echinococcus multilocularis Basic leucine zipper (bZIP) transcription 0.0036 0.0099 0.0099
Onchocerca volvulus 0.0035 0.0092 0.3373
Loa Loa (eye worm) hypothetical protein 0.087 0.4045 0.4045
Loa Loa (eye worm) nuclear Hormone Receptor family member 0.0018 0.0013 0.0013
Trichomonas vaginalis esterase, putative 0.0035 0.0092 0.0061
Echinococcus multilocularis thyroid hormone receptor alpha 0.0018 0.0013 0.0013
Brugia malayi ImpB/MucB/SamB family protein 0.0022 0.0034 0.0022
Schistosoma mansoni hypothetical protein 0.087 0.4045 0.4037
Loa Loa (eye worm) hypothetical protein 0.0035 0.0092 0.0092
Schistosoma mansoni single-minded 0.0049 0.0159 0.0147
Loa Loa (eye worm) hypothetical protein 0.087 0.4045 0.4045
Entamoeba histolytica hypothetical protein 0.0036 0.0099 0.0093
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0053 0.0179 0.0179
Trypanosoma brucei DNA polymerase IV, putative 0.0022 0.0034 0.0033
Giardia lamblia DINP protein human, muc B family 0.0022 0.0034 0.5
Echinococcus granulosus COUP TF:Svp nuclear hormone receptor 0.0018 0.0013 0.0013
Wolbachia endosymbiont of Brugia malayi N-acetylglucosamine-1-phosphate uridyltransferase 0.007 0.0262 1
Brugia malayi Eukaryotic-type carbonic anhydrase family protein 0.087 0.4045 0.4037
Mycobacterium ulcerans transferase 0.0068 0.0249 0.0224
Echinococcus multilocularis microtubule associated protein 2 0.0663 0.3065 0.3065
Echinococcus granulosus microtubule associated protein 2 0.0663 0.3065 0.3065
Loa Loa (eye worm) hypothetical protein 0.0027 0.0054 0.0054
Brugia malayi Hypothetical 52.5 kDa protein ZK945.1 in chromosome II, putative 0.0035 0.0092 0.008
Entamoeba histolytica carbonic anhydrase, putative 0.1499 0.7022 1
Echinococcus granulosus nuclear receptor 2DBD gamma 0.0018 0.0013 0.0013
Echinococcus multilocularis serotonin receptor 0.015 0.0638 0.0638
Loa Loa (eye worm) intermediate filament protein 0.0027 0.0057 0.0057
Trypanosoma brucei carbonic anhydrase-like protein 0.2129 1 1
Echinococcus multilocularis hepatocyte nuclear factor 4 alpha 0.0018 0.0013 0.0013
Schistosoma mansoni carbonic anhydrase-related 0.087 0.4045 0.4037
Wolbachia endosymbiont of Brugia malayi 2,3,4,5-tetrahydropyridine-2,6-carboxylate N-succinyltransferase 0.007 0.0262 1
Mycobacterium tuberculosis Beta-carbonic anhydrase 0.1461 0.6842 1
Mycobacterium tuberculosis Beta-carbonic anhydrase CanB 0.0907 0.422 0.6148
Loa Loa (eye worm) beta-LACTamase domain containing family member 0.0035 0.0092 0.0092
Schistosoma mansoni carbonic anhydrase-related 0.087 0.4045 0.4037
Loa Loa (eye worm) hypothetical protein 0.0018 0.0013 0.0013
Mycobacterium tuberculosis Probable lipase LipE 0.0035 0.0092 0.0086
Mycobacterium tuberculosis Conserved protein 0.0035 0.0092 0.0086
Leishmania major carbonic anhydrase-like protein 0.2129 1 1
Loa Loa (eye worm) hypothetical protein 0.0027 0.0057 0.0057
Mycobacterium tuberculosis Probable esterase/lipase LipP 0.0035 0.0092 0.0086
Echinococcus granulosus dna polymerase eta 0.0022 0.0034 0.0034
Mycobacterium ulcerans esterase/lipase LipP 0.0035 0.0092 0.0061
Echinococcus granulosus dynactin 5 p25 0.007 0.0262 0.0262
Loa Loa (eye worm) hypothetical protein 0.015 0.0638 0.0638
Entamoeba histolytica acetyltransferase, putative 0.007 0.0262 0.0326
Loa Loa (eye worm) hypothetical protein 0.0018 0.0013 0.0013
Schistosoma mansoni biogenic amine (5HT) receptor 0.015 0.0638 0.0626
Mycobacterium tuberculosis Possible penicillin-binding protein 0.0221 0.0974 0.1381
Loa Loa (eye worm) hypothetical protein 0.0018 0.0013 0.0013
Echinococcus granulosus intermediate filament protein 0.0027 0.0057 0.0057
Schistosoma mansoni lamin 0.0027 0.0057 0.0044
Trypanosoma brucei DNA polymerase kappa, putative 0.0022 0.0034 0.0033
Echinococcus multilocularis carbonic anhydrase 0.087 0.4045 0.4045
Leishmania major hypothetical protein, conserved 0.004 0.012 0.0086
Trypanosoma brucei DNA polymerase kappa, putative 0.0022 0.0034 0.0033
Trypanosoma brucei DNA polymerase kappa, putative 0.0022 0.0034 0.0033
Echinococcus multilocularis nuclear receptor 2DBD gamma 0.0018 0.0013 0.0013
Loa Loa (eye worm) nuclear hormone receptor family member nhr-40 0.0018 0.0013 0.0013
Trypanosoma brucei DNA polymerase IV, putative 0.0022 0.0034 0.0033
Loa Loa (eye worm) hypothetical protein 0.0035 0.0092 0.0092
Echinococcus multilocularis dna polymerase kappa 0.0022 0.0034 0.0034
Loa Loa (eye worm) beta-lactamase 0.0035 0.0092 0.0092
Echinococcus multilocularis FTZ F1 nuclear receptor protein 0.0018 0.0013 0.0013
Brugia malayi ImpB/MucB/SamB family protein 0.0022 0.0034 0.0022
Loa Loa (eye worm) intermediate filament tail domain-containing protein 0.0027 0.0057 0.0057
Trypanosoma brucei hypothetical protein, conserved 0.004 0.012 0.0118
Mycobacterium leprae CARBONIC ANHYDRASE (CARBONATE DEHYDRATASE) (CARBONIC DEHYDRATASE) 0.1499 0.7022 1
Brugia malayi GTP-binding regulatory protein Gs alpha-S chain, putative 0.0053 0.0179 0.0166
Echinococcus multilocularis tumor protein p63 0.0275 0.1229 0.1229
Trichomonas vaginalis penicillin-binding protein, putative 0.0035 0.0092 0.0061
Mycobacterium tuberculosis Possible conserved lipoprotein LpqK 0.0035 0.0092 0.0086
Loa Loa (eye worm) hypothetical protein 0.0018 0.0013 0.0013
Echinococcus granulosus carbonic anhydrase 0.087 0.4045 0.4045
Trypanosoma cruzi carbonic anhydrase-like protein, putative 0.2129 1 1
Brugia malayi intermediate filament protein 0.0027 0.0057 0.0044
Mycobacterium ulcerans carbonic anhydrase 0.1499 0.7022 0.7271
Loa Loa (eye worm) eukaryotic-type carbonic anhydrase 0.2129 1 1
Schistosoma mansoni microtubule-associated protein tau 0.0663 0.3065 0.3056
Echinococcus granulosus carbonic anhydrase 0.087 0.4045 0.4045
Trypanosoma cruzi hypothetical protein, conserved 0.004 0.012 0.0086
Trypanosoma brucei DNA polymerase IV, putative 0.0022 0.0034 0.0033
Echinococcus multilocularis FTZ F1 alpha 0.0018 0.0013 0.0013
Schistosoma mansoni hypothetical protein 0.0036 0.0099 0.0087
Mycobacterium tuberculosis Probable serine acetyltransferase CysE (sat) 0.007 0.0262 0.0335
Loa Loa (eye worm) hypothetical protein 0.015 0.0638 0.0638
Echinococcus multilocularis musashi 0.0027 0.0057 0.0057
Brugia malayi Eukaryotic-type carbonic anhydrase family protein 0.087 0.4045 0.4037
Echinococcus granulosus lamin 0.0027 0.0057 0.0057
Entamoeba histolytica bacterial transferase hexapeptide family protein 0.004 0.012 0.0123
Brugia malayi Putative carbonic anhydrase 5 precursor 0.2129 1 1
Echinococcus multilocularis carbonic anhydrase 0.087 0.4045 0.4045
Loa Loa (eye worm) hypothetical protein 0.004 0.0119 0.0119
Schistosoma mansoni carbonic anhydrase-related 0.087 0.4045 0.4037
Echinococcus multilocularis atpase aaa+ type core atpase aaa type core 0.0812 0.377 0.377
Echinococcus multilocularis carbonic anhydrase II 0.2129 1 1
Schistosoma mansoni carbonic anhydrase II (carbonate dehydratase II) 0.2129 1 1
Trypanosoma cruzi carbonic anhydrase-like protein, putative 0.2129 1 1
Echinococcus multilocularis lamin dm0 0.0027 0.0057 0.0057
Loa Loa (eye worm) nuclear hormone receptor family member nhr-1 0.0018 0.0013 0.0013
Entamoeba histolytica ankyrin, putative 0.007 0.0262 0.0326
Loa Loa (eye worm) nuclear hormone receptor family member nhr-31 0.0018 0.0013 0.0013
Brugia malayi beta-lactamase family protein 0.0035 0.0092 0.008
Leishmania major hypothetical protein, conserved 0.0035 0.0092 0.0058
Onchocerca volvulus 0.0035 0.0092 0.3373
Mycobacterium tuberculosis Conserved protein 0.0035 0.0092 0.0086
Brugia malayi bHLH-PAS transcription factor 0.0036 0.0099 0.0087
Loa Loa (eye worm) carbonic anhydrase 3 0.2129 1 1
Leishmania major carbonic anhydrase family protein, putative 0.1499 0.7022 0.7012
Echinococcus granulosus retinoic acid receptor rxr beta a 0.0018 0.0013 0.0013
Brugia malayi Intermediate filament tail domain containing protein 0.0027 0.0057 0.0044
Mycobacterium ulcerans hypothetical protein 0.0035 0.0092 0.0061
Loa Loa (eye worm) eukaryotic-type carbonic anhydrase 0.087 0.4045 0.4045
Loa Loa (eye worm) nuclear hormone receptor family member nhr-49 0.0018 0.0013 0.0013
Trichomonas vaginalis conserved hypothetical protein 0.2054 0.9644 1
Entamoeba histolytica hypothetical protein 0.0036 0.0099 0.0093
Brugia malayi Carbonic anhydrase like protein 2 precursor 0.087 0.4045 0.4037
Entamoeba histolytica hypothetical protein 0.0036 0.0099 0.0093
Mycobacterium tuberculosis Probable esterase LipL 0.0035 0.0092 0.0086
Schistosoma mansoni terminal deoxycytidyl transferase 0.0022 0.0034 0.0022
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0053 0.0179 0.0166
Trypanosoma brucei DNA polymerase kappa, putative 0.0022 0.0034 0.0033
Mycobacterium tuberculosis Possible siderophore-binding protein 0.004 0.012 0.0126
Onchocerca volvulus 0.004 0.0119 0.4498
Loa Loa (eye worm) hypothetical protein 0.2055 0.9649 0.9649
Echinococcus granulosus biogenic amine 5HT receptor 0.015 0.0638 0.0638
Mycobacterium ulcerans beta-lactamase 0.0035 0.0092 0.0061
Plasmodium vivax hypothetical protein, conserved 0.0035 0.0092 0.5
Echinococcus multilocularis ecdysone induced protein 78C 0.0018 0.0013 0.0013
Trypanosoma brucei DNA polymerase kappa, putative 0.0022 0.0034 0.0033
Echinococcus granulosus terminal deoxycytidyl transferase rev1 0.0022 0.0034 0.0034
Loa Loa (eye worm) GTP-binding regulatory protein Gs alpha-S chain 0.0053 0.0179 0.0179
Loa Loa (eye worm) steroid hormone receptor 0.0018 0.0013 0.0013
Schistosoma mansoni rab geranylgeranyl transferase alpha subunit 0.0022 0.0034 0.0022
Loa Loa (eye worm) hypothetical protein 0.0022 0.0034 0.0034
Trichomonas vaginalis D-aminoacylase, putative 0.0035 0.0092 0.0061
Echinococcus multilocularis serotonin receptor 0.015 0.0638 0.0638
Onchocerca volvulus 0.0035 0.0092 0.3373
Trypanosoma brucei DNA polymerase kappa, putative 0.0022 0.0034 0.0033
Loa Loa (eye worm) ImpB/MucB/SamB family protein 0.0022 0.0034 0.0034
Echinococcus granulosus carbonic anhydrase II 0.2129 1 1
Trichomonas vaginalis D-aminoacylase, putative 0.0035 0.0092 0.0061
Echinococcus multilocularis transfer RNA-Lys 0.0036 0.0099 0.0099
Loa Loa (eye worm) hypothetical protein 0.0035 0.0092 0.0092
Onchocerca volvulus 0.0027 0.0057 0.1858
Trypanosoma brucei hypothetical protein, conserved 0.0035 0.0092 0.0091
Loa Loa (eye worm) hypothetical protein 0.0035 0.0092 0.0092
Mycobacterium tuberculosis Probable conserved lipoprotein 0.0035 0.0092 0.0086
Mycobacterium ulcerans fusion of enoyl-CoA hydratase, EchA21 and lipase, LipE 0.0035 0.0092 0.0061
Brugia malayi Eukaryotic-type carbonic anhydrase family protein 0.087 0.4045 0.4037
Trypanosoma cruzi hypothetical protein, conserved 0.004 0.012 0.0086
Loa Loa (eye worm) hypothetical protein 0.0018 0.0013 0.0013
Brugia malayi hypothetical protein 0.0163 0.0702 0.069
Trichomonas vaginalis D-aminoacylase, putative 0.0035 0.0092 0.0061
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0053 0.0179 0.0166
Brugia malayi Carbonic anhydrase like protein 2 precursor 0.087 0.4045 0.4037
Schistosoma mansoni intermediate filament proteins 0.0027 0.0057 0.0044
Trypanosoma cruzi hypothetical protein, conserved 0.0035 0.0092 0.0058
Brugia malayi PAS domain containing protein 0.0049 0.0159 0.0147
Trypanosoma brucei DNA polymerase kappa, putative 0.0022 0.0034 0.0033
Echinococcus multilocularis Nuclear hormone receptor family member nhr 41 0.0018 0.0013 0.0013
Mycobacterium ulcerans lipase LipD 0.0035 0.0092 0.0061
Mycobacterium ulcerans carbonic anhydrase 0.2054 0.9644 1
Schistosoma mansoni DNA polymerase eta 0.0022 0.0034 0.0022
Echinococcus multilocularis lamin 0.0027 0.0057 0.0057
Mycobacterium ulcerans putative regulatory protein 0.0036 0.0099 0.0068
Echinococcus granulosus carbonic anhydrase 0.087 0.4045 0.4045
Schistosoma mansoni carbonic anhydrase 0.1499 0.7022 0.7018
Loa Loa (eye worm) hypothetical protein 0.0018 0.0013 0.0013
Entamoeba histolytica hypothetical protein 0.0036 0.0099 0.0093
Echinococcus multilocularis COUP TF:Svp nuclear hormone receptor 0.0018 0.0013 0.0013
Loa Loa (eye worm) hypothetical protein 0.0018 0.0013 0.0013
Echinococcus granulosus single minded 2 0.0036 0.0099 0.0099
Schistosoma mansoni carbonic anhydrase II (carbonate dehydratase II) 0.2129 1 1
Echinococcus granulosus FTZ F1 alpha 0.0018 0.0013 0.0013
Loa Loa (eye worm) hypothetical protein 0.0163 0.0702 0.0702
Echinococcus granulosus dna polymerase kappa 0.0022 0.0034 0.0034
Echinococcus granulosus ecdysone induced protein 78C 0.0018 0.0013 0.0013
Mycobacterium tuberculosis Conserved protein 0.0035 0.0092 0.0086
Toxoplasma gondii hypothetical protein 0.087 0.4045 1
Mycobacterium tuberculosis Probable lipase LipD 0.0035 0.0092 0.0086
Echinococcus granulosus hepatocyte nuclear factor 4 alpha 0.0018 0.0013 0.0013
Schistosoma mansoni aryl hydrocarbon receptor 0.0049 0.0159 0.0147
Echinococcus granulosus Nuclear hormone receptor family member nhr 41 0.0018 0.0013 0.0013
Trypanosoma cruzi hypothetical protein, conserved 0.0035 0.0092 0.0058
Onchocerca volvulus 0.0036 0.0099 0.3667
Mycobacterium leprae PROBABLE TRANSFERASE 0.0068 0.0249 0.0226
Loa Loa (eye worm) hypoxia-induced factor 1 0.0151 0.0642 0.0642
Mycobacterium tuberculosis Probable transmembrane carbonic anhydrase (carbonate dehydratase) (carbonic dehydratase) 0.0592 0.2731 0.3961
Trypanosoma brucei unspecified product 0.0022 0.0034 0.0033
Loa Loa (eye worm) nuclear hormone receptor family member nhr-14 0.0018 0.0013 0.0013
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0053 0.0179 0.0179
Trypanosoma brucei DNA polymerase eta, putative 0.0022 0.0034 0.0033
Plasmodium falciparum carbonic anhydrase 0.087 0.4045 0.5
Echinococcus granulosus beta LACTamase domain containing family member 0.0035 0.0092 0.0092
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0053 0.0179 0.0179
Echinococcus granulosus Basic leucine zipper bZIP transcription 0.0036 0.0099 0.0099
Mycobacterium ulcerans hypothetical protein 0.004 0.012 0.0089
Schistosoma mansoni lamin 0.0027 0.0057 0.0044
Trichomonas vaginalis penicillin-binding protein, putative 0.0035 0.0092 0.0061
Schistosoma mansoni cellular tumor antigen P53 0.004 0.0119 0.0107
Echinococcus granulosus lamin dm0 0.0027 0.0057 0.0057
Trypanosoma brucei DNA polymerase kappa, putative 0.0022 0.0034 0.0033
Schistosoma mansoni carbonic anhydrase 0.087 0.4045 0.4037
Onchocerca volvulus 0.0068 0.0249 1
Schistosoma mansoni family S12 unassigned peptidase (S12 family) 0.0035 0.0092 0.008
Mycobacterium tuberculosis Probable hydrolase 0.0035 0.0092 0.0086
Echinococcus multilocularis nuclear receptor 2DBD gamma 0.0018 0.0013 0.0013
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0053 0.0179 0.0166
Brugia malayi hypothetical protein 0.0036 0.0099 0.0087
Echinococcus multilocularis beta LACTamase domain containing family member 0.0035 0.0092 0.0092
Trypanosoma brucei DNA polymerase kappa, putative 0.0022 0.0034 0.0033
Brugia malayi hypoxia-induced factor 1 0.0151 0.0642 0.063
Brugia malayi beta-lactamase family protein 0.0035 0.0092 0.008
Echinococcus multilocularis terminal deoxycytidyl transferase rev1 0.0022 0.0034 0.0034
Trichomonas vaginalis maltose O-acetyltransferase, putative 0.0068 0.0249 0.0224
Echinococcus granulosus tumor protein p63 0.0275 0.1229 0.1229
Loa Loa (eye worm) hypothetical protein 0.0035 0.0092 0.0092
Schistosoma mansoni family S12 unassigned peptidase (S12 family) 0.0035 0.0092 0.008
Trichomonas vaginalis conserved hypothetical protein 0.2054 0.9644 1
Trypanosoma brucei DNA polymerase kappa, putative 0.0022 0.0034 0.0033
Schistosoma mansoni transcription factor LCR-F1 0.0036 0.0099 0.0087
Loa Loa (eye worm) hypothetical protein 0.0018 0.0013 0.0013
Echinococcus multilocularis dna polymerase eta 0.0022 0.0034 0.0034
Echinococcus multilocularis carbonic anhydrase 0.087 0.4045 0.4045

Activities

Activity type Activity value Assay description Source Reference
BP (functional) = 65 % Effect of the compound on arterial blood pressure (BP) in anesthetized cat ChEMBL. 8459396
ED50 (functional) = 0.81 uM kg-1 Dose at which the SND has been reduced to 50% of the pretreatment value ChEMBL. 8459396
ED50 (functional) = 10 uM kg-1 In vivo effective dose administered subcutaneously in mouse hypothermia assay. ChEMBL. 8459396
ED50 (functional) = 10 uM kg-1 In vivo effective dose administered subcutaneously in mouse hypothermia assay. ChEMBL. 8459396
ED50 (functional) > 97 uM kg-1 Tested in vivo for the effective dose administered orally in mouse hypothermia assay ChEMBL. 8459396
ED50 (functional) > 97 uM kg-1 Tested in vivo for the effective dose administered orally in mouse hypothermia assay ChEMBL. 8459396
Ki (binding) = 4.1 nM In vivo binding affinity towards [3H]-8-OH-DPAT-labeled 5-hydroxytryptamine 1A receptor sites in bovine hippocampus. ChEMBL. 8459396
Ki (binding) = 4.1 nM In vivo binding affinity towards [3H]-8-OH-DPAT-labeled 5-hydroxytryptamine 1A receptor sites in bovine hippocampus. ChEMBL. 8459396
Max decrease (functional) = 21 Maximum decrease of the compound observed ChEMBL. 8459396
Max decrease (functional) = 46 Maximum decrease of the compound on arterial blood pressure at 1 mg/kg ChEMBL. 8459396
TMP.decrease (functional) = 11.5 degrees F Tested in vivo for the maximum temperature decrease in mouse hypothermia assay. ChEMBL. 8459396
TMP.decrease (functional) = 11.5 degrees F Tested in vivo for the maximum temperature decrease in mouse hypothermia assay. ChEMBL. 8459396

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.
 
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

1 literature reference was collected for this gene.

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