Detailed information for compound 1673372

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 244.332 | Formula: C15H20N2O
  • H donors: 1 H acceptors: 0 LogP: 2.7 Rotable bonds: 5
    Rule of 5 violations (Lipinski): 1
  • SMILES: C[C@@H](C1=NCCN1)Oc1ccccc1CC1CC1
  • InChi: 1S/C15H20N2O/c1-11(15-16-8-9-17-15)18-14-5-3-2-4-13(14)10-12-6-7-12/h2-5,11-12H,6-10H2,1H3,(H,16,17)/t11-/m0/s1
  • InChiKey: SEKAQUSPSDPIAN-NSHDSACASA-N  


Substructure search Similarity search

Network

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Synonyms

No synonyms found for this compound

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Homo sapiens adrenoceptor alpha 2A Starlite/ChEMBL References
Homo sapiens 5-hydroxytryptamine (serotonin) receptor 1A, G protein-coupled Starlite/ChEMBL References
Homo sapiens adrenoceptor alpha 2B Starlite/ChEMBL References
Homo sapiens adrenoceptor alpha 2C 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
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
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 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
Schistosoma japonicum ko:K04153 5-hydroxytryptamine (serotonin) receptor 1A, putative 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
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 tyrosine protein kinase Src42A 0.006 0.0627 0.0627
Trypanosoma cruzi Eukaryotic translation initiation factor 4E-3 0.0088 0.1013 0.0986
Trypanosoma brucei Eukaryotic translation initiation factor 4E-1 0.0742 1 1
Trichomonas vaginalis eukaryotic translation initiation factor 4E, putative 0.0088 0.1013 0.0669
Leishmania major eukaryotic translation initiation factor 4e, putative 0.0088 0.1013 0.0986
Echinococcus multilocularis tyrosine protein kinase HCK 0.0038 0.0314 0.0314
Echinococcus multilocularis proto oncogene tyrosine protein kinase LCK 0.006 0.0627 0.0627
Brugia malayi Calcitonin receptor-like protein seb-1 0.0054 0.0534 0.0534
Trypanosoma brucei Eukaryotic translation initiation factor 4E type 5 0.0088 0.1013 0.0986
Loa Loa (eye worm) latrophilin receptor protein 2 0.0017 0.003 0.003
Brugia malayi latrophilin 2 splice variant baaae 0.0037 0.0301 0.0301
Loa Loa (eye worm) TK protein kinase 0.0049 0.0472 0.0472
Loa Loa (eye worm) hypothetical protein 0.0017 0.003 0.003
Trichomonas vaginalis eukaryotic translation initiation factor 4E, putative 0.0742 1 1
Trichomonas vaginalis eukaryotic translation initiation factor 4E, putative 0.0088 0.1013 0.0669
Schistosoma mansoni hypothetical protein 0.0017 0.003 0.003
Giardia lamblia Hypothetical protein 0.0088 0.1013 0.5
Echinococcus granulosus GPCR family 2 0.0017 0.003 0.003
Onchocerca volvulus Putative eukaryotic translation initiation factor 4e 0.0088 0.1013 1
Brugia malayi Latrophilin receptor protein 2 0.0017 0.003 0.003
Echinococcus granulosus tyrosine protein kinase ABL1 0.05 0.6678 0.6678
Trypanosoma cruzi Eukaryotic translation initiation factor 4E type 5, putative 0.0088 0.1013 0.0986
Loa Loa (eye worm) hypothetical protein 0.0159 0.1977 0.1977
Mycobacterium tuberculosis Probable isocitrate dehydrogenase [NADP] Icd1 (oxalosuccinate decarboxylase) (IDH) (NADP+-specific ICDH) (IDP) 0.0017 0.0031 0.5
Echinococcus granulosus 3'partial|tyrosine protein kinase Fgr 0.006 0.0627 0.0627
Echinococcus granulosus growth factor receptor bound protein 2 0.0023 0.011 0.011
Loa Loa (eye worm) isocitrate dehydrogenase 0.0017 0.0031 0.0031
Echinococcus multilocularis eukaryotic translation initiation factor 4E 0.0742 1 1
Schistosoma mansoni proto-oncogene tyrosine-protein kinase abl1 0.0023 0.011 0.011
Loa Loa (eye worm) hypothetical protein 0.0023 0.011 0.011
Entamoeba histolytica translation initiation factor 4e, putative 0.0088 0.1013 0.1013
Plasmodium falciparum eukaryotic translation initiation factor 4E 0.0088 0.1013 1
Echinococcus granulosus tyrosine protein kinase Src42A 0.0046 0.0428 0.0428
Schistosoma mansoni adapter molecule crk 0.0023 0.011 0.011
Echinococcus granulosus eukaryotic translation initiation factor 4E 0.0742 1 1
Trypanosoma cruzi Eukaryotic translation initiation factor 4E-4 0.0088 0.1013 0.0986
Trichomonas vaginalis eukaryotic translation initiation factor 4E, putative 0.0742 1 1
Echinococcus granulosus tyrosine protein kinase Src42A 0.006 0.0627 0.0627
Brugia malayi eukaryotic translation initiation factor 4E-1 0.0088 0.1013 0.1013
Trypanosoma brucei Eukaryotic translation initiation factor 4E-2 0.0088 0.1013 0.0986
Schistosoma mansoni hypothetical protein 0.0017 0.003 0.003
Trypanosoma brucei Eukaryotic translation initiation factor 4E-3 0.0088 0.1013 0.0986
Brugia malayi Eukaryotic translation initiation factor 4E type 3, putative 0.0088 0.1013 0.1013
Trichomonas vaginalis eukaryotic translation initiation factor 4E, putative 0.0088 0.1013 0.0669
Loa Loa (eye worm) eukaryotic translation initiation factor 4E-1 0.0088 0.1013 0.1013
Trichomonas vaginalis eukaryotic translation initiation factor 4E type, putative 0.0088 0.1013 0.0669
Giardia lamblia hypothetical protein 0.0088 0.1013 0.5
Echinococcus granulosus proto oncogene tyrosine protein kinase LCK 0.006 0.0627 0.0627
Echinococcus granulosus tyrosine protein kinase Fyn 0.006 0.0627 0.0627
Echinococcus multilocularis tyrosine protein kinase Src42A 0.0046 0.0428 0.0428
Loa Loa (eye worm) SRC-1 0.006 0.0627 0.0627
Trichomonas vaginalis eukaryotic translation initiation factor 4E, putative 0.0088 0.1013 0.0669
Loa Loa (eye worm) hypothetical protein 0.0159 0.1977 0.1977
Echinococcus multilocularis c src tyrosine kinase 0.0026 0.0154 0.0154
Schistosoma mansoni growth factor receptor-bound protein 0.0023 0.011 0.011
Echinococcus granulosus tyrosine protein kinase Src64B 0.006 0.0627 0.0627
Trichomonas vaginalis eukaryotic translation initiation factor 4E type, putative 0.0088 0.1013 0.0669
Echinococcus multilocularis cadherin EGF LAG seven pass G type receptor 0.0017 0.003 0.003
Trypanosoma cruzi Eukaryotic translation initiation factor 4E-1 0.0742 1 1
Brugia malayi Variant SH3 domain containing protein 0.0023 0.011 0.011
Trichomonas vaginalis conserved hypothetical protein 0.0088 0.1013 0.0669
Plasmodium vivax hypothetical protein, conserved 0.0088 0.1013 1
Schistosoma mansoni tyrosine kinase 0.0026 0.0154 0.0154
Echinococcus multilocularis tyrosine protein kinase Fgr 0.006 0.0627 0.0627
Trichomonas vaginalis eukaryotic translation initiation factor 4E type, putative 0.0088 0.1013 0.0669
Echinococcus multilocularis serotonin receptor 0.0159 0.1977 0.1977
Loa Loa (eye worm) sex muscle abnormal protein 5 0.0023 0.011 0.011
Giardia lamblia Translation elongation factor 0.0088 0.1013 0.5
Loa Loa (eye worm) translation initiation factor 4E 0.0742 1 1
Schistosoma mansoni NADP-specific isocitrate dehydrogenase 0.0017 0.0031 0.0031
Leishmania major eukaryotic translation initiation factor-like protein 0.0742 1 1
Echinococcus multilocularis tyrosine protein kinase ABL1 0.05 0.6678 0.6678
Echinococcus multilocularis NADP dependent isocitrate dehydrogenase 0.0017 0.0031 0.0031
Echinococcus granulosus tyrosine protein kinase Fyn 0.006 0.0627 0.0627
Entamoeba histolytica eukaryotic initiation factor 4E, putative 0.0088 0.1013 0.1013
Schistosoma mansoni hypothetical protein 0.0017 0.003 0.003
Echinococcus multilocularis tyrosine protein kinase Fyn 0.006 0.0627 0.0627
Trichomonas vaginalis hypothetical protein 0.0088 0.1013 0.0669
Echinococcus granulosus NCK adaptor protein 0.0023 0.011 0.011
Schistosoma mansoni voltage-gated potassium channel 0.0049 0.0466 0.0466
Schistosoma mansoni proto-oncogene tyrosine-protein kinase src 0.0026 0.0154 0.0154
Loa Loa (eye worm) variant SH3 domain-containing protein 0.0023 0.011 0.011
Echinococcus granulosus potassium voltage gated channel subfamily H 0.0045 0.041 0.041
Trypanosoma brucei Eukaryotic translation initiation factor 4E-4 0.0088 0.1013 0.0986
Toxoplasma gondii hypothetical protein 0.0088 0.1013 0.0986
Brugia malayi calcium-independent alpha-latrotoxin receptor 2, putative 0.0017 0.003 0.003
Loa Loa (eye worm) eukaryotic translation initiation factor 4E type 3 0.0088 0.1013 0.1013
Leishmania major hypothetical protein, conserved 0.0088 0.1013 0.0986
Trichomonas vaginalis eukaryotic translation initiation factor 4E, putative 0.0088 0.1013 0.0669
Echinococcus granulosus biogenic amine 5HT receptor 0.0159 0.1977 0.1977
Loa Loa (eye worm) TK/ABL protein kinase 0.05 0.6678 0.6678
Brugia malayi Sex muscle abnormal protein 5 0.0023 0.011 0.011
Echinococcus multilocularis growth factor receptor bound protein 2 0.0023 0.011 0.011
Echinococcus multilocularis serotonin receptor 0.0159 0.1977 0.1977
Schistosoma mansoni growth factor receptor-bound protein 0.0023 0.011 0.011
Echinococcus granulosus tyrosine kinase|tyrosine protein kinase Fyn 0.0049 0.0472 0.0472
Loa Loa (eye worm) TK protein kinase 0.0038 0.0314 0.0314
Entamoeba histolytica eukaryotic translation initiation factor 4E, putative 0.0088 0.1013 0.1013
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.0054 0.0534 0.0534
Echinococcus multilocularis tyrosine protein kinase Btk29A 0.0026 0.0154 0.0154
Echinococcus granulosus diuretic hormone 44 receptor GPRdih2 0.0017 0.003 0.003
Loa Loa (eye worm) hypothetical protein 0.0037 0.0301 0.0301
Leishmania major hypothetical protein, conserved 0.0088 0.1013 0.0986
Schistosoma mansoni voltage-gated potassium channel 0.0049 0.0466 0.0466
Echinococcus granulosus tyrosine kinase 0.0049 0.0472 0.0472
Echinococcus multilocularis GPCR, family 2 0.0017 0.003 0.003
Echinococcus granulosus tyrosine protein kinase Btk29A 0.0026 0.0154 0.0154
Echinococcus granulosus eukaryotic translation initiation factor 4E type 0.0088 0.1013 0.1013
Trypanosoma cruzi Eukaryotic translation initiation factor 4E-1 0.0742 1 1
Brugia malayi Tyrosine-protein kinase abl-1 0.0212 0.2708 0.2708
Brugia malayi Variant SH3 domain containing protein 0.0023 0.011 0.011
Echinococcus multilocularis tyrosine protein kinase lyn tyrosine protein kinase blk 0.006 0.0627 0.0627
Echinococcus granulosus tyrosine protein kinase Fyn 0.006 0.0627 0.0627
Toxoplasma gondii eukaryotic initiation factor-4E, putative 0.0088 0.1013 0.0986
Leishmania major eukaryotic translation initiation factor eIF-4E, putative 0.0742 1 1
Echinococcus multilocularis tyrosine protein kinase Blk 0.0049 0.0472 0.0472
Giardia lamblia Hypothetical protein 0.0088 0.1013 0.5
Echinococcus multilocularis tyrosine protein kinase lyn lyn a protein tyrosine kinase lymphocyte specific protein tyrosine kinase 0.006 0.0627 0.0627
Schistosoma mansoni eukaryotic translation initiation factor 4e 0.0742 1 1
Entamoeba histolytica hypothetical protein 0.0088 0.1013 0.1013
Schistosoma mansoni tyrosine kinase 0.0489 0.652 0.652
Plasmodium vivax translation initiation factor 4E, putative 0.0088 0.1013 1
Trichomonas vaginalis conserved hypothetical protein 0.0088 0.1013 0.0669
Brugia malayi isocitrate dehydrogenase 0.0017 0.0031 0.0031
Trichomonas vaginalis conserved hypothetical protein 0.0088 0.1013 0.0669
Echinococcus multilocularis tyrosine protein kinase Src64B 0.006 0.0627 0.0627
Echinococcus multilocularis tyrosine protein kinase Fyn 0.0049 0.0472 0.0472
Entamoeba histolytica eukaryotic initiation factor 4E, putative 0.0088 0.1013 0.1013
Schistosoma mansoni biogenic amine (5HT) receptor 0.0159 0.1977 0.1977
Loa Loa (eye worm) hypothetical protein 0.0189 0.2395 0.2395
Schistosoma mansoni tyrosine kinase 0.006 0.0627 0.0627
Trichomonas vaginalis eukaryotic translation initiation factor 4E type, putative 0.0088 0.1013 0.0669
Entamoeba histolytica hypothetical protein 0.0088 0.1013 0.1013
Trichomonas vaginalis eukaryotic translation initiation factor 4E, putative 0.0088 0.1013 0.0669
Echinococcus granulosus c src tyrosine kinase 0.0026 0.0154 0.0154
Entamoeba histolytica eukaryotic translation initiation factor 4E, putative 0.0742 1 1
Loa Loa (eye worm) hypothetical protein 0.0039 0.0329 0.0329
Trichomonas vaginalis eukaryotic translation initiation factor 4E, putative 0.0088 0.1013 0.0669
Schistosoma mansoni tyrosine kinase 0.0026 0.0154 0.0154
Plasmodium falciparum eukaryotic translation initiation factor 4E, putative 0.0088 0.1013 1
Loa Loa (eye worm) pigment dispersing factor receptor c 0.0054 0.0534 0.0534
Echinococcus granulosus tyrosine protein kinase HCK 0.0038 0.0314 0.0314
Echinococcus granulosus tyrosine protein kinase Blk 0.0049 0.0472 0.0472
Leishmania major eukaryotic translation initiation factor, putative 0.0088 0.1013 0.0986
Echinococcus multilocularis NADP dependent isocitrate dehydrogenase 0.0017 0.0031 0.0031
Echinococcus multilocularis tyrosine protein kinase Fyn 0.006 0.0627 0.0627
Brugia malayi Tyrosine-protein kinase abl-1 0.03 0.3922 0.3922
Trichomonas vaginalis eukaryotic translation initiation factor 4E, putative 0.0742 1 1
Brugia malayi protein-tyrosine kinase 0.0049 0.0472 0.0472
Schistosoma mansoni nck2/grb4 0.0023 0.011 0.011
Leishmania major eukaryotic translation initiation factor-like 0.0742 1 1
Echinococcus granulosus tyrosine protein kinase Lyn 0.006 0.0627 0.0627
Trichomonas vaginalis eukaryotic translation initiation factor 4E type, putative 0.0088 0.1013 0.0669
Entamoeba histolytica eukaryotic translation initiation factor 4E, putative 0.0088 0.1013 0.1013
Trypanosoma cruzi eukaryotic translation initiation factor 4E (eIF4E) interacting protein, putative 0.0088 0.1013 0.0986
Trichomonas vaginalis eukaryotic translation initiation factor 4E, putative 0.0088 0.1013 0.0669
Echinococcus multilocularis NCK adaptor protein 0.0023 0.011 0.011
Toxoplasma gondii eukaryotic initiation factor-4E, putative 0.0742 1 1
Echinococcus multilocularis NADP dependent isocitrate dehydrogenase 0.0017 0.0031 0.0031
Echinococcus granulosus cadherin EGF LAG seven pass G type receptor 0.0017 0.003 0.003
Echinococcus multilocularis tyrosine protein kinase Srms 0.0049 0.0472 0.0472
Trypanosoma cruzi eukaryotic translation initiation factor 4E (eIF4E) interacting protein, putative 0.0088 0.1013 0.0986
Schistosoma mansoni tyrosine kinase 0.006 0.0627 0.0627
Echinococcus multilocularis tyrosine protein kinase Fyn 0.006 0.0627 0.0627
Loa Loa (eye worm) hypothetical protein 0.0054 0.0534 0.0534
Echinococcus granulosus NADP dependent isocitrate dehydrogenase 0.0017 0.0031 0.0031
Trypanosoma cruzi Eukaryotic translation initiation factor 4E type 5, putative 0.0088 0.1013 0.0986
Echinococcus multilocularis isocitrate dehydrogenase 2 (NADP+) 0.0017 0.0031 0.0031
Brugia malayi Isocitrate dehydrogenase 0.0017 0.0031 0.0031
Loa Loa (eye worm) voltage and ligand gated potassium channel 0.0045 0.041 0.041
Echinococcus multilocularis potassium voltage gated channel subfamily H 0.0045 0.041 0.041
Trichomonas vaginalis eukaryotic translation initiation factor 4E, putative 0.0742 1 1
Schistosoma mansoni hypothetical protein 0.0037 0.0301 0.0301
Echinococcus multilocularis diuretic hormone 44 receptor GPRdih2 0.0017 0.003 0.003
Brugia malayi SRC-1 0.006 0.0627 0.0627
Entamoeba histolytica eukaryotic translation initiation factor 4E, putative 0.0742 1 1
Echinococcus multilocularis tyrosine protein kinase Abl 0.0212 0.2708 0.2708
Trypanosoma cruzi Eukaryotic translation initiation factor 4E-4 0.0088 0.1013 0.0986
Echinococcus multilocularis isocitrate dehydrogenase 0.0017 0.0031 0.0031
Schistosoma mansoni hypothetical protein 0.0017 0.003 0.003
Brugia malayi Voltage-gated potassium channel, HERG (KCNH2)-related. C. elegans unc-103 ortholog 0.0045 0.041 0.041
Entamoeba histolytica eukaryotic translation initiation factor 4E, putative 0.0088 0.1013 0.1013
Entamoeba histolytica protein kinase, putative 0.0038 0.0314 0.0314

Activities

Activity type Activity value Assay description Source Reference
Activity (functional) Effect on morphine-dependence in CD1 mouse assessed as decrease in naloxone-precipitated rearing at 0.025 mg/kg, ip administered acutely 15 mins prior to naloxone challenge relative to vehicle-treated control ChEMBL. 24900506
Activity (functional) Effect on morphine-dependence in CD1 mouse assessed as decrease in naloxone-precipitated rearing at 0.025 mg/kg, ip administered chronically 15 mins prior to each morphine challenge relative to vehicle-treated control ChEMBL. 24900506
Activity (functional) Effect on morphine-dependence in CD1 mouse assessed as decrease in naloxone-precipitated teeth chatter at 0.025 mg/kg, ip administered acutely 15 mins prior to naloxone challenge relative to vehicle-treated control ChEMBL. 24900506
Activity (functional) Effect on morphine-dependence in CD1 mouse assessed as decrease in naloxone-precipitated jumping at 0.025 mg/kg, ip administered chronically 15 mins prior to each morphine challenge relative to vehicle-treated control ChEMBL. 24900506
Activity (functional) Effect on morphine-dependence in CD1 mouse assessed as decrease in naloxone-precipitated jumping at 0.025 mg/kg, ip administered acutely 15 mins prior to naloxone challenge relative to vehicle-treated control ChEMBL. 24900506
Activity (functional) Effect on morphine-dependence in CD1 mouse assessed as decrease in naloxone-precipitated forepaw tremors at 0.025 mg/kg, ip administered acutely 15 mins prior to naloxone challenge relative to vehicle-treated control ChEMBL. 24900506
Activity (functional) Effect on morphine-dependence in CD1 mouse assessed as decrease in naloxone-precipitated teeth chatter at 0.025 mg/kg, ip administered chronically 15 mins prior to each morphine challenge relative to vehicle-treated control ChEMBL. 24900506
Activity (functional) Antidepressant activity in CD1 mouse assessed as decrease in immobility time at 0.025 mg/kg, ip administered 15 mins prior to coadministration with yohimbine measured after 15 mins by forced swim test relative to vehicle-treated control ChEMBL. 24900506
Activity (functional) Antidepressant activity in CD1 mouse assessed as decrease in immobility time at 0.025 mg/kg, ip administered 30 mins prior to coadministration with WAY100635 measured after 15 mins by forced swim test relative to vehicle-treated control ChEMBL. 24900506
Activity (functional) Effect on morphine-dependence in CD1 mouse assessed as decrease in naloxone-precipitated forepaw tremors at 0.025 mg/kg, ip administered chronically 15 mins prior to each morphine challenge relative to vehicle-treated control ChEMBL. 24900506
EC50 (functional) = 5.8 Agonist activity at human alpha2B adrenoceptor expressed in CHO cells assessed as extracellular acidification measured after 4 mins by cytosensor microphysiometric analysis ChEMBL. 24900506
EC50 (binding) = 5.8 Agonist activity at human alpha2B AR ChEMBL. 24900763
EC50 (functional) = 8.7 Agonist activity at human alpha2C adrenoceptor expressed in CHO cells assessed as extracellular acidification measured after 4 mins by cytosensor microphysiometric analysis ChEMBL. 24900506
EC50 (binding) = 8.7 Agonist activity at human alpha2C AR ChEMBL. 24900763
Emax (functional) = 97 % Agonist activity at human 5HT1A receptor expressed in HeLa cells assessed as [35S]GTPgammaS binding incubated for 20 mins prior to [35S]GTPgammaS addition measured after 30 mins by liquid scintillation counting relative to 8-OH-DPAT ChEMBL. 24900506
Emax (binding) = 97 % Agonist activity at human 5HT1A receptor relative to control ChEMBL. 24900763
Intrinsic activity (functional) = 0.7 Agonist activity at human alpha2B adrenoceptor expressed in CHO cells assessed as extracellular acidification measured after 4 mins by cytosensor microphysiometric analysis relative to control ChEMBL. 24900506
Intrinsic activity (binding) = 0.7 Agonist activity at human alpha2B AR assessed as intrinsic activity ChEMBL. 24900763
Intrinsic activity (binding) = 0.85 Agonist activity at human alpha2C AR assessed as intrinsic activity ChEMBL. 24900763
Intrinsic activity (functional) = 0.85 Agonist activity at human alpha2C adrenoceptor expressed in CHO cells assessed as extracellular acidification measured after 4 mins by cytosensor microphysiometric analysis relative to control ChEMBL. 24900506
Ki (binding) = 6.39 Displacement of [3H]RX821002 from human alpha2B adrenoceptor expressed in CHO cells after 30 mins by scintillation counting ChEMBL. 24900506
Ki (binding) = 6.39 Binding affinity at human alpha2B AR ChEMBL. 24900763
Ki (binding) = 6.56 Displacement of [3H]RX821002 from human alpha2C adrenoceptor expressed in CHO cells after 30 mins by scintillation counting ChEMBL. 24900506
Ki (binding) = 6.56 Binding affinity at human alpha2C AR ChEMBL. 24900763
Ki (binding) = 7.38 Displacement of [3H]RX821002 from human alpha2A adrenoceptor expressed in CHO cells after 30 mins by scintillation counting ChEMBL. 24900506
Ki (binding) = 7.38 Binding affinity at human alpha2A AR ChEMBL. 24900763
Ki (binding) = 8.24 Displacement of [3H]8-OH-DPAT from human 5HT1A receptor expressed in HeLa cells after 30 mins ChEMBL. 24900506
Ki (binding) = 8.24 Binding affinity at human 5HT1A receptor ChEMBL. 24900763
pKb (functional) = 7.7 Antagonist activity at human alpha2A adrenoceptor expressed in CHO cells assessed as reduction in clonidine-induced extracellular acidification after 30 mins by cytosensor microphysiometric analysis ChEMBL. 24900506
pKb (binding) = 7.7 Antagonist activity at human alpha2A AR ChEMBL. 24900763

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

2 literature references were collected for this gene.

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