Detailed information for compound 273983

Basic information

Technical information
  • TDR Targets ID: 273983
  • Name: (1S,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-/m1/s1
  • InChiKey: ZDGCYKNKBKUIBF-HZPDHXFCSA-N  


Substructure search Similarity search

Network

Hover on a compound node to display the structore

Synonyms

  • (1S,2R)-1-allyl-N-(cyclopropylmethyl)-8-methoxy-tetralin-2-amine
  • (1S,2R)-1-allyl-N-(cyclopropylmethyl)-8-methoxy-2-tetralinamine
  • [(1S,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
Loa Loa (eye worm) hypothetical protein 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
Schistosoma japonicum Octopamine receptor, putative Get druggable targets OG5_133249 All targets in OG5_133249
Echinococcus multilocularis serotonin receptor Get druggable targets OG5_133249 All targets in OG5_133249
Echinococcus multilocularis serotonin receptor 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
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_133249 All targets in OG5_133249
Schistosoma japonicum expressed protein 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 carbonic anhydrase 0.087 0.4045 0.4045
Loa Loa (eye worm) intermediate filament protein 0.0027 0.0057 0.0057
Loa Loa (eye worm) steroid hormone receptor 0.0018 0.0013 0.0013
Echinococcus multilocularis microtubule associated protein 2 0.0663 0.3065 0.3065
Echinococcus granulosus terminal deoxycytidyl transferase rev1 0.0022 0.0034 0.0034
Entamoeba histolytica ankyrin, putative 0.007 0.0262 0.0326
Loa Loa (eye worm) ImpB/MucB/SamB family protein 0.0022 0.0034 0.0034
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0053 0.0179 0.0166
Mycobacterium tuberculosis Possible penicillin-binding protein 0.0221 0.0974 0.1381
Leishmania major hypothetical protein, conserved 0.0035 0.0092 0.0058
Trichomonas vaginalis maltose O-acetyltransferase, putative 0.0068 0.0249 0.0224
Onchocerca volvulus 0.0068 0.0249 1
Trypanosoma brucei carbonic anhydrase-like protein 0.2129 1 1
Loa Loa (eye worm) nuclear hormone receptor family member nhr-41 0.0018 0.0013 0.0013
Echinococcus multilocularis FTZ F1 alpha 0.0018 0.0013 0.0013
Trypanosoma brucei DNA polymerase kappa, putative 0.0022 0.0034 0.0033
Mycobacterium tuberculosis Possible conserved lipoprotein LpqK 0.0035 0.0092 0.0086
Entamoeba histolytica hypothetical protein 0.0036 0.0099 0.0093
Onchocerca volvulus 0.0027 0.0057 0.1858
Loa Loa (eye worm) hypothetical protein 0.0018 0.0013 0.0013
Mycobacterium tuberculosis Probable transmembrane carbonic anhydrase (carbonate dehydratase) (carbonic dehydratase) 0.0592 0.2731 0.3961
Schistosoma mansoni carbonic anhydrase II (carbonate dehydratase II) 0.2129 1 1
Entamoeba histolytica bacterial transferase hexapeptide family protein 0.004 0.012 0.0123
Schistosoma mansoni hypothetical protein 0.087 0.4045 0.4037
Echinococcus granulosus microtubule associated protein 2 0.0663 0.3065 0.3065
Giardia lamblia DINP protein human, muc B family 0.0022 0.0034 0.5
Brugia malayi GTP-binding regulatory protein Gs alpha-S chain, putative 0.0053 0.0179 0.0166
Trichomonas vaginalis esterase, putative 0.0035 0.0092 0.0061
Brugia malayi Carbonic anhydrase like protein 2 precursor 0.087 0.4045 0.4037
Echinococcus granulosus carbonic anhydrase II 0.2129 1 1
Loa Loa (eye worm) hypothetical protein 0.0035 0.0092 0.0092
Echinococcus granulosus biogenic amine 5HT receptor 0.015 0.0638 0.0638
Trypanosoma brucei DNA polymerase IV, putative 0.0022 0.0034 0.0033
Loa Loa (eye worm) hypothetical protein 0.0163 0.0702 0.0702
Echinococcus multilocularis carbonic anhydrase 0.087 0.4045 0.4045
Entamoeba histolytica hypothetical protein 0.0036 0.0099 0.0093
Trypanosoma brucei hypothetical protein, conserved 0.0035 0.0092 0.0091
Loa Loa (eye worm) hypothetical protein 0.0035 0.0092 0.0092
Trichomonas vaginalis penicillin-binding protein, putative 0.0035 0.0092 0.0061
Loa Loa (eye worm) intermediate filament tail domain-containing protein 0.0027 0.0057 0.0057
Loa Loa (eye worm) hypothetical protein 0.0035 0.0092 0.0092
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0053 0.0179 0.0179
Echinococcus granulosus FTZ F1 alpha 0.0018 0.0013 0.0013
Loa Loa (eye worm) hypothetical protein 0.0022 0.0034 0.0034
Onchocerca volvulus 0.0027 0.0057 0.1858
Echinococcus multilocularis nuclear receptor 2DBD gamma 0.0018 0.0013 0.0013
Echinococcus granulosus intermediate filament protein 0.0027 0.0057 0.0057
Echinococcus granulosus nuclear receptor 2DBD gamma 0.0018 0.0013 0.0013
Echinococcus granulosus carbonic anhydrase 0.087 0.4045 0.4045
Loa Loa (eye worm) carbonic anhydrase 3 0.2129 1 1
Echinococcus granulosus Basic leucine zipper bZIP transcription 0.0036 0.0099 0.0099
Loa Loa (eye worm) hypothetical protein 0.0018 0.0013 0.0013
Echinococcus multilocularis dna polymerase eta 0.0022 0.0034 0.0034
Mycobacterium leprae CARBONIC ANHYDRASE (CARBONATE DEHYDRATASE) (CARBONIC DEHYDRATASE) 0.1499 0.7022 1
Brugia malayi Intermediate filament tail domain containing protein 0.0027 0.0057 0.0044
Schistosoma mansoni carbonic anhydrase-related 0.087 0.4045 0.4037
Echinococcus granulosus carbonic anhydrase 0.087 0.4045 0.4045
Echinococcus multilocularis atpase aaa+ type core atpase aaa type core 0.0812 0.377 0.377
Schistosoma mansoni hypothetical protein 0.0036 0.0099 0.0087
Loa Loa (eye worm) hypothetical protein 0.0027 0.0054 0.0054
Echinococcus granulosus beta LACTamase domain containing family member 0.0035 0.0092 0.0092
Loa Loa (eye worm) eukaryotic-type carbonic anhydrase 0.2129 1 1
Echinococcus multilocularis ecdysone induced protein 78C 0.0018 0.0013 0.0013
Trichomonas vaginalis penicillin-binding protein, putative 0.0035 0.0092 0.0061
Loa Loa (eye worm) eukaryotic-type carbonic anhydrase 0.087 0.4045 0.4045
Echinococcus granulosus hepatocyte nuclear factor 4 alpha 0.0018 0.0013 0.0013
Mycobacterium tuberculosis Beta-carbonic anhydrase CanB 0.0907 0.422 0.6148
Echinococcus multilocularis serotonin receptor 0.015 0.0638 0.0638
Trypanosoma brucei DNA polymerase IV, putative 0.0022 0.0034 0.0033
Brugia malayi Eukaryotic-type carbonic anhydrase family protein 0.087 0.4045 0.4037
Mycobacterium ulcerans carbonic anhydrase 0.2054 0.9644 1
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0053 0.0179 0.0166
Schistosoma mansoni lamin 0.0027 0.0057 0.0044
Trypanosoma cruzi hypothetical protein, conserved 0.004 0.012 0.0086
Trypanosoma brucei DNA polymerase kappa, putative 0.0022 0.0034 0.0033
Loa Loa (eye worm) nuclear hormone receptor family member nhr-40 0.0018 0.0013 0.0013
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0053 0.0179 0.0179
Brugia malayi Eukaryotic-type carbonic anhydrase family protein 0.087 0.4045 0.4037
Loa Loa (eye worm) hypothetical protein 0.087 0.4045 0.4045
Schistosoma mansoni family S12 unassigned peptidase (S12 family) 0.0035 0.0092 0.008
Echinococcus granulosus dna polymerase kappa 0.0022 0.0034 0.0034
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0053 0.0179 0.0179
Echinococcus multilocularis hepatocyte nuclear factor 4 alpha 0.0018 0.0013 0.0013
Trichomonas vaginalis conserved hypothetical protein 0.0068 0.0249 0.0224
Schistosoma mansoni carbonic anhydrase II (carbonate dehydratase II) 0.2129 1 1
Schistosoma mansoni cellular tumor antigen P53 0.004 0.0119 0.0107
Trypanosoma cruzi hypothetical protein, conserved 0.004 0.012 0.0086
Mycobacterium ulcerans fusion of enoyl-CoA hydratase, EchA21 and lipase, LipE 0.0035 0.0092 0.0061
Echinococcus granulosus dna polymerase eta 0.0022 0.0034 0.0034
Echinococcus multilocularis lamin 0.0027 0.0057 0.0057
Brugia malayi bHLH-PAS transcription factor 0.0036 0.0099 0.0087
Trichomonas vaginalis D-aminoacylase, putative 0.0035 0.0092 0.0061
Mycobacterium tuberculosis Probable lipase LipD 0.0035 0.0092 0.0086
Echinococcus multilocularis lamin dm0 0.0027 0.0057 0.0057
Trypanosoma brucei DNA polymerase kappa, putative 0.0022 0.0034 0.0033
Schistosoma mansoni intermediate filament proteins 0.0027 0.0057 0.0044
Echinococcus multilocularis transfer RNA-Lys 0.0036 0.0099 0.0099
Echinococcus granulosus ecdysone induced protein 78C 0.0018 0.0013 0.0013
Loa Loa (eye worm) hypothetical protein 0.004 0.0119 0.0119
Mycobacterium ulcerans transferase 0.0068 0.0249 0.0224
Trichomonas vaginalis D-aminoacylase, putative 0.0035 0.0092 0.0061
Mycobacterium ulcerans lipase LipD 0.0035 0.0092 0.0061
Trichomonas vaginalis conserved hypothetical protein 0.2054 0.9644 1
Trypanosoma brucei DNA polymerase kappa, putative 0.0022 0.0034 0.0033
Trypanosoma cruzi hypothetical protein, conserved 0.0035 0.0092 0.0058
Schistosoma mansoni lamin 0.0027 0.0057 0.0044
Brugia malayi Putative carbonic anhydrase 5 precursor 0.2129 1 1
Brugia malayi hypothetical protein 0.0036 0.0099 0.0087
Brugia malayi hypothetical protein 0.0163 0.0702 0.069
Loa Loa (eye worm) beta-LACTamase domain containing family member 0.0035 0.0092 0.0092
Echinococcus granulosus nuclear receptor 2DBD gamma 0.0018 0.0013 0.0013
Echinococcus multilocularis carbonic anhydrase II 0.2129 1 1
Trypanosoma cruzi carbonic anhydrase-like protein, putative 0.2129 1 1
Wolbachia endosymbiont of Brugia malayi N-acetylglucosamine-1-phosphate uridyltransferase 0.007 0.0262 1
Entamoeba histolytica carbonic anhydrase, putative 0.1499 0.7022 1
Echinococcus multilocularis tumor protein p63 0.0275 0.1229 0.1229
Loa Loa (eye worm) hypoxia-induced factor 1 0.0151 0.0642 0.0642
Mycobacterium tuberculosis Probable lipase LipE 0.0035 0.0092 0.0086
Echinococcus multilocularis beta LACTamase domain containing family member 0.0035 0.0092 0.0092
Brugia malayi beta-lactamase 0.0035 0.0092 0.008
Loa Loa (eye worm) hypothetical protein 0.0018 0.0013 0.0013
Loa Loa (eye worm) hypothetical protein 0.087 0.4045 0.4045
Leishmania major carbonic anhydrase family protein, putative 0.1499 0.7022 0.7012
Mycobacterium tuberculosis Probable serine acetyltransferase CysE (sat) 0.007 0.0262 0.0335
Echinococcus granulosus retinoic acid receptor rxr beta a 0.0018 0.0013 0.0013
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0053 0.0179 0.0179
Schistosoma mansoni carbonic anhydrase-related 0.087 0.4045 0.4037
Loa Loa (eye worm) nuclear hormone receptor family member nhr-1 0.0018 0.0013 0.0013
Echinococcus multilocularis dna polymerase kappa 0.0022 0.0034 0.0034
Loa Loa (eye worm) nuclear hormone receptor family member nhr-14 0.0018 0.0013 0.0013
Trypanosoma brucei DNA polymerase kappa, putative 0.0022 0.0034 0.0033
Loa Loa (eye worm) nuclear hormone receptor family member nhr-31 0.0018 0.0013 0.0013
Schistosoma mansoni carbonic anhydrase 0.1499 0.7022 0.7018
Schistosoma mansoni transcription factor LCR-F1 0.0036 0.0099 0.0087
Schistosoma mansoni single-minded 0.0049 0.0159 0.0147
Brugia malayi Eukaryotic-type carbonic anhydrase family protein 0.087 0.4045 0.4037
Mycobacterium leprae PROBABLE TRANSFERASE 0.0068 0.0249 0.0226
Mycobacterium ulcerans hypothetical protein 0.004 0.012 0.0089
Mycobacterium ulcerans putative regulatory protein 0.0036 0.0099 0.0068
Echinococcus multilocularis carbonic anhydrase 0.087 0.4045 0.4045
Entamoeba histolytica hypothetical protein 0.0036 0.0099 0.0093
Mycobacterium tuberculosis Probable conserved lipoprotein 0.0035 0.0092 0.0086
Mycobacterium tuberculosis Probable esterase LipL 0.0035 0.0092 0.0086
Trypanosoma brucei hypothetical protein, conserved 0.004 0.012 0.0118
Trypanosoma brucei DNA polymerase IV, putative 0.0022 0.0034 0.0033
Schistosoma mansoni family S12 unassigned peptidase (S12 family) 0.0035 0.0092 0.008
Loa Loa (eye worm) hypothetical protein 0.0018 0.0013 0.0013
Echinococcus granulosus lamin 0.0027 0.0057 0.0057
Plasmodium vivax hypothetical protein, conserved 0.0035 0.0092 0.5
Loa Loa (eye worm) hypothetical protein 0.0018 0.0013 0.0013
Loa Loa (eye worm) hypothetical protein 0.2055 0.9649 0.9649
Onchocerca volvulus 0.0035 0.0092 0.3373
Entamoeba histolytica hypothetical protein 0.0036 0.0099 0.0093
Onchocerca volvulus 0.004 0.0119 0.4498
Onchocerca volvulus 0.0035 0.0092 0.3373
Mycobacterium tuberculosis Conserved protein 0.0035 0.0092 0.0086
Mycobacterium ulcerans beta-lactamase 0.0035 0.0092 0.0061
Onchocerca volvulus 0.0036 0.0099 0.3667
Loa Loa (eye worm) hypothetical protein 0.0035 0.0092 0.0092
Echinococcus granulosus Nuclear hormone receptor family member nhr 41 0.0018 0.0013 0.0013
Mycobacterium ulcerans hypothetical protein 0.0035 0.0092 0.0061
Echinococcus granulosus single minded 2 0.0036 0.0099 0.0099
Mycobacterium tuberculosis Probable esterase/lipase LipP 0.0035 0.0092 0.0086
Trypanosoma brucei DNA polymerase kappa, putative 0.0022 0.0034 0.0033
Trypanosoma brucei unspecified product 0.0022 0.0034 0.0033
Echinococcus granulosus tumor protein p63 0.0275 0.1229 0.1229
Trypanosoma brucei DNA polymerase kappa, putative 0.0022 0.0034 0.0033
Echinococcus multilocularis serotonin receptor 0.015 0.0638 0.0638
Echinococcus multilocularis Nuclear hormone receptor family member nhr 41 0.0018 0.0013 0.0013
Loa Loa (eye worm) hypothetical protein 0.0018 0.0013 0.0013
Leishmania major hypothetical protein, conserved 0.004 0.012 0.0086
Toxoplasma gondii hypothetical protein 0.087 0.4045 1
Loa Loa (eye worm) hypothetical protein 0.0027 0.0057 0.0057
Brugia malayi PAS domain containing protein 0.0049 0.0159 0.0147
Plasmodium falciparum carbonic anhydrase 0.087 0.4045 0.5
Echinococcus granulosus dynactin 5 p25 0.007 0.0262 0.0262
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0053 0.0179 0.0166
Echinococcus granulosus carbonic anhydrase 0.087 0.4045 0.4045
Schistosoma mansoni DNA polymerase eta 0.0022 0.0034 0.0022
Loa Loa (eye worm) beta-lactamase 0.0035 0.0092 0.0092
Mycobacterium tuberculosis Beta-carbonic anhydrase 0.1461 0.6842 1
Trypanosoma brucei DNA polymerase kappa, putative 0.0022 0.0034 0.0033
Brugia malayi beta-lactamase family protein 0.0035 0.0092 0.008
Mycobacterium ulcerans esterase/lipase LipP 0.0035 0.0092 0.0061
Loa Loa (eye worm) hypothetical protein 0.0035 0.0092 0.0092
Brugia malayi ImpB/MucB/SamB family protein 0.0022 0.0034 0.0022
Brugia malayi hypoxia-induced factor 1 0.0151 0.0642 0.063
Trichomonas vaginalis conserved hypothetical protein 0.2054 0.9644 1
Brugia malayi beta-lactamase family protein 0.0035 0.0092 0.008
Leishmania major carbonic anhydrase-like protein 0.2129 1 1
Echinococcus multilocularis nuclear receptor 2DBD gamma 0.0018 0.0013 0.0013
Mycobacterium tuberculosis Conserved protein 0.0035 0.0092 0.0086
Echinococcus multilocularis Basic leucine zipper (bZIP) transcription 0.0036 0.0099 0.0099
Trypanosoma brucei DNA polymerase kappa, putative 0.0022 0.0034 0.0033
Trypanosoma cruzi carbonic anhydrase-like protein, putative 0.2129 1 1
Mycobacterium tuberculosis Possible siderophore-binding protein 0.004 0.012 0.0126
Trypanosoma cruzi hypothetical protein, conserved 0.0035 0.0092 0.0058
Brugia malayi ImpB/MucB/SamB family protein 0.0022 0.0034 0.0022
Loa Loa (eye worm) hypothetical protein 0.0018 0.0013 0.0013
Loa Loa (eye worm) GTP-binding regulatory protein Gs alpha-S chain 0.0053 0.0179 0.0179
Brugia malayi Hypothetical 52.5 kDa protein ZK945.1 in chromosome II, putative 0.0035 0.0092 0.008
Loa Loa (eye worm) hypothetical protein 0.015 0.0638 0.0638
Echinococcus multilocularis FTZ F1 nuclear receptor protein 0.0018 0.0013 0.0013
Brugia malayi intermediate filament protein 0.0027 0.0057 0.0044
Wolbachia endosymbiont of Brugia malayi 2,3,4,5-tetrahydropyridine-2,6-carboxylate N-succinyltransferase 0.007 0.0262 1
Echinococcus multilocularis thyroid hormone receptor alpha 0.0018 0.0013 0.0013
Schistosoma mansoni terminal deoxycytidyl transferase 0.0022 0.0034 0.0022
Schistosoma mansoni biogenic amine (5HT) receptor 0.015 0.0638 0.0626
Loa Loa (eye worm) hypothetical protein 0.0035 0.0092 0.0092
Loa Loa (eye worm) nuclear Hormone Receptor family member 0.0018 0.0013 0.0013
Schistosoma mansoni carbonic anhydrase 0.087 0.4045 0.4037
Trypanosoma brucei DNA polymerase kappa, putative 0.0022 0.0034 0.0033
Entamoeba histolytica acetyltransferase, putative 0.007 0.0262 0.0326
Mycobacterium tuberculosis Probable hydrolase 0.0035 0.0092 0.0086
Mycobacterium ulcerans carbonic anhydrase 0.1499 0.7022 0.7271
Echinococcus granulosus COUP TF:Svp nuclear hormone receptor 0.0018 0.0013 0.0013
Onchocerca volvulus 0.0035 0.0092 0.3373
Echinococcus granulosus lamin dm0 0.0027 0.0057 0.0057
Brugia malayi Carbonic anhydrase like protein 2 precursor 0.087 0.4045 0.4037
Loa Loa (eye worm) hypothetical protein 0.015 0.0638 0.0638
Trypanosoma brucei DNA polymerase eta, putative 0.0022 0.0034 0.0033
Schistosoma mansoni rab geranylgeranyl transferase alpha subunit 0.0022 0.0034 0.0022
Trichomonas vaginalis D-aminoacylase, putative 0.0035 0.0092 0.0061
Echinococcus multilocularis musashi 0.0027 0.0057 0.0057
Schistosoma mansoni microtubule-associated protein tau 0.0663 0.3065 0.3056
Mycobacterium tuberculosis Conserved protein 0.0035 0.0092 0.0086
Echinococcus multilocularis terminal deoxycytidyl transferase rev1 0.0022 0.0034 0.0034
Echinococcus granulosus FTZ F1 nuclear receptor protein 0.0018 0.0013 0.0013
Echinococcus multilocularis COUP TF:Svp nuclear hormone receptor 0.0018 0.0013 0.0013
Schistosoma mansoni aryl hydrocarbon receptor 0.0049 0.0159 0.0147
Schistosoma mansoni carbonic anhydrase-related 0.087 0.4045 0.4037
Loa Loa (eye worm) hypothetical protein 0.0018 0.0013 0.0013
Loa Loa (eye worm) nuclear hormone receptor family member nhr-49 0.0018 0.0013 0.0013

Activities

Activity type Activity value Assay description Source Reference
BP (functional) = 65 % Dose of the compound on arterial blood pressure (BP) in anesthetized cat ChEMBL. 8459396
ED50 (functional) = 0.27 uM kg-1 Dose at which the SND has been reduced to 50% of the pretreatment value ChEMBL. 8459396
ED50 (functional) = 18 uM kg-1 In vivo effective dose administered subcutaneously in mouse hypothermia assay. ChEMBL. 8459396
ED50 (functional) = 18 uM kg-1 In vivo effective dose administered subcutaneously in mouse hypothermia assay. ChEMBL. 8459396
ED50 (functional) = 134 uM kg-1 Tested in vivo for the effective dose administered orally in mouse hypothermia assay ChEMBL. 8459396
ED50 (functional) = 134 uM kg-1 Tested in vivo for the effective dose administered orally in mouse hypothermia assay ChEMBL. 8459396
Ki (binding) = 2.9 nM In vivo binding affinity towards [3H]-8-OH-DPAT-labeled 5-hydroxytryptamine 1A receptor sites in bovine hippocampus. ChEMBL. 8459396
Ki (binding) = 2.9 nM In vivo binding affinity towards [3H]-8-OH-DPAT-labeled 5-hydroxytryptamine 1A receptor sites in bovine hippocampus. ChEMBL. 8459396
Max decrease (functional) = 10 Maximum decrease of the compound observed ChEMBL. 8459396
Max decrease (functional) = 58 Maximum decrease of the compound on arterial blood pressure at 1 mg/kg ChEMBL. 8459396
TMP.decrease (functional) = 1.5 degrees F Tested in vivo for the maximum temperature decrease in mouse hypothermia assay. ChEMBL. 8459396
TMP.decrease (functional) = 1.5 degrees F Tested in vivo for the maximum temperature decrease in mouse hypothermia assay. ChEMBL. 8459396
TMP.decrease (functional) = 8.8 degrees F Tested in vivo for the maximum temperature decrease in mouse hypothermia assay. ChEMBL. 8459396
TMP.decrease (functional) = 8.8 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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