Detailed information for compound 1037391

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 264.794 | Formula: C15H21ClN2
  • H donors: 1 H acceptors: 0 LogP: 3.08 Rotable bonds: 2
    Rule of 5 violations (Lipinski): 1
  • SMILES: C[C@H]1[C@H](CCc2c1cccc2)CC1=NCCN1.Cl
  • InChi: 1S/C15H20N2.ClH/c1-11-13(10-15-16-8-9-17-15)7-6-12-4-2-3-5-14(11)12;/h2-5,11,13H,6-10H2,1H3,(H,16,17);1H/t11-,13+;/m0./s1
  • InChiKey: FLSISRJGYOFAOD-STEACBGWSA-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
Rattus norvegicus Adrenergic receptor alpha-2 Starlite/ChEMBL References

Predicted pathogen targets for this compound

By orthology
No druggable targets predicted by orthology data
By sequence similarity to non orthologous known druggable targets
Species Potential target Known druggable target Length Alignment span Identity
Echinococcus multilocularis alpha 1A adrenergic receptor Adrenergic receptor alpha-2   450 aa 478 aa 20.7 %
Onchocerca volvulus Adrenergic receptor alpha-2   450 aa 420 aa 19.8 %
Onchocerca volvulus Adrenergic receptor alpha-2   450 aa 467 aa 25.1 %
Loa Loa (eye worm) TYRA-2 protein Adrenergic receptor alpha-2   450 aa 488 aa 23.8 %
Echinococcus multilocularis fmrfamide receptor Adrenergic receptor alpha-2   450 aa 366 aa 19.9 %
Echinococcus multilocularis neuropeptides capa receptor Adrenergic receptor alpha-2   450 aa 486 aa 20.6 %
Echinococcus granulosus biogenic amine 5HT receptor Adrenergic receptor alpha-2   450 aa 423 aa 31.7 %
Echinococcus multilocularis serotonin receptor Adrenergic receptor alpha-2   450 aa 426 aa 31.9 %
Schistosoma mansoni biogenic amine (5HT) receptor Adrenergic receptor alpha-2   450 aa 433 aa 27.9 %
Schistosoma japonicum ko:K04145 dopamine receptor D2, putative Adrenergic receptor alpha-2   450 aa 473 aa 24.1 %
Echinococcus granulosus alpha 1A adrenergic receptor Adrenergic receptor alpha-2   450 aa 476 aa 21.0 %
Schistosoma japonicum ko:K04207 neuropeptide Y receptor Y5, putative Adrenergic receptor alpha-2   450 aa 378 aa 20.9 %
Schistosoma mansoni amine GPCR Adrenergic receptor alpha-2   450 aa 439 aa 29.2 %
Obtained from network model

Ranking Plot

Putative Targets List

Species Potential target Raw Global Species
Trichomonas vaginalis geranylgeranyl transferase type I beta subunit, putative 0.011 0.3111 0.2813
Brugia malayi Nuclear hormone receptor-like 1 0.0293 0.9302 0.9302
Brugia malayi Nuclear hormone receptor family member nhr-49 0.0033 0.0526 0.0526
Loa Loa (eye worm) nuclear hormone receptor family member nhr-40 0.0033 0.0526 0.0526
Echinococcus granulosus geranylgeranyl transferase type 2 subunit alpha 0.0081 0.2156 0.2156
Echinococcus granulosus protein kinase c epsilon type 0.0018 0.0005 0.0005
Trypanosoma cruzi hypothetical protein, conserved 0.0081 0.2156 0.6459
Leishmania major protein farnesyltransferase alpha subunit, putative 0.0081 0.2156 0.6459
Loa Loa (eye worm) hypothetical protein 0.0314 1 1
Schistosoma mansoni photoreceptor-specific nuclear receptor related 0.0033 0.0526 0.0526
Schistosoma mansoni protein farnesyltransferase subunit beta 0.011 0.3111 0.3111
Plasmodium vivax prenyltransferase alpha subunit, putative 0.0314 1 1
Brugia malayi Nuclear hormone receptor-like 1 0.0278 0.8775 0.8775
Plasmodium falciparum protein farnesyltransferase subunit beta 0.011 0.3111 0.2813
Echinococcus granulosus nuclear receptor 2DBD gamma 0.0033 0.0526 0.0526
Echinococcus multilocularis Protein kinase C, brain isozyme 0.0018 0.0005 0.0005
Plasmodium vivax farnesyltransferase beta subunit, putative 0.011 0.3111 0.2813
Trichomonas vaginalis protein farnesyltransferase alpha subunit, putative 0.0314 1 1
Schistosoma mansoni retinoid-x-receptor (RXR) 0.0033 0.0526 0.0526
Echinococcus multilocularis COUP TF:Svp nuclear hormone receptor 0.0033 0.0526 0.0526
Echinococcus granulosus FTZ F1 alpha 0.0033 0.0526 0.0526
Echinococcus multilocularis protein prenyltransferase alpha subunit 0.0081 0.2156 0.2156
Brugia malayi Protein prenyltransferase alpha subunit repeat containing protein 0.0081 0.2156 0.2156
Loa Loa (eye worm) nuclear Hormone Receptor family member 0.0033 0.0526 0.0526
Echinococcus multilocularis nuclear receptor 2DBD gamma 0.0033 0.0526 0.0526
Loa Loa (eye worm) AGC/PKC/IOTA protein kinase 0.0114 0.3269 0.3269
Echinococcus granulosus ecdysone induced protein 78C 0.0033 0.0526 0.0526
Schistosoma mansoni geranylgeranyl transferase type I beta subunit 0.003 0.0414 0.0414
Echinococcus granulosus FTZ F1 nuclear receptor protein 0.0033 0.0526 0.0526
Brugia malayi Nuclear hormone receptor family member nhr-14 0.0033 0.0526 0.0526
Brugia malayi Nuclear hormone receptor family member nhr-25 0.0033 0.0526 0.0526
Loa Loa (eye worm) nuclear hormone receptor family member nhr-41 0.0033 0.0526 0.0526
Brugia malayi Nuclear hormone receptor family member nhr-1 0.0033 0.0526 0.0526
Loa Loa (eye worm) prenyltransferase and squalene oxidase repeat family protein 0.003 0.0414 0.0414
Toxoplasma gondii prenyltransferase and squalene oxidase repeat-containing protein 0.011 0.3111 0.3942
Echinococcus multilocularis protein kinase c epsilon type 0.0018 0.0005 0.0005
Schistosoma mansoni hypothetical protein 0.0275 0.8677 0.8677
Toxoplasma gondii hypothetical protein 0.0233 0.7255 1
Brugia malayi Steroid receptor seven-up type 2 0.0033 0.0526 0.0526
Plasmodium vivax conserved Plasmodium protein, unknown function 0.008 0.2107 0.1766
Echinococcus granulosus protein kinase c iota type 0.0117 0.3363 0.3363
Giardia lamblia Rab geranylgeranyltransferase 0.0314 1 1
Echinococcus multilocularis thyroid hormone receptor alpha 0.0308 0.9793 0.9793
Brugia malayi Probable protein farnesyltransferase beta subunit, putative 0.003 0.0414 0.0414
Loa Loa (eye worm) hypothetical protein 0.0033 0.0526 0.0526
Entamoeba histolytica protein farnesyltransferase alpha subunit, putative 0.0314 1 1
Trypanosoma brucei protein farnesyltransferase alpha subunit, putative 0.0081 0.2156 0.6459
Echinococcus granulosus geranylgeranyl transferase type I beta subunit 0.003 0.0414 0.0414
Trypanosoma brucei Protein prenyltransferase alpha subunit repeat, putative 0.0081 0.2156 0.6459
Echinococcus granulosus protein prenyltransferase alpha subunit 0.0081 0.2156 0.2156
Brugia malayi nuclear hormone receptor 0.0033 0.0526 0.0526
Trichomonas vaginalis geranylgeranyl transferase type II beta subunit, putative 0.011 0.3111 0.2813
Echinococcus granulosus hepatocyte nuclear factor 4 alpha 0.0033 0.0526 0.0526
Brugia malayi Nuclear hormone receptor family member nhr-31 0.0033 0.0526 0.0526
Echinococcus multilocularis Rab geranylgeranyltransferase, beta subunit 0.003 0.0414 0.0414
Brugia malayi Ligand-binding domain of nuclear hormone receptor family protein 0.0033 0.0526 0.0526
Schistosoma mansoni protein farnesyltransferase alpha subunit 0.0314 1 1
Brugia malayi photoreceptor-specific nuclear receptor 0.0033 0.0526 0.0526
Brugia malayi Nuclear hormone receptor family member nhr-40 0.0033 0.0526 0.0526
Loa Loa (eye worm) nuclear hormone receptor-like 1 0.0278 0.8775 0.8775
Leishmania major farnesyltransferase beta subunit 0.011 0.3111 1
Brugia malayi Nuclear hormone receptor family member nhr-19 0.0033 0.0526 0.0526
Schistosoma mansoni steroid hormone receptor ad4bp 0.0033 0.0526 0.0526
Echinococcus granulosus Nuclear hormone receptor family member nhr 41 0.0033 0.0526 0.0526
Brugia malayi protein kinase C II. 0.0018 0.0005 0.0005
Echinococcus granulosus protein farnesyltransferase subunit beta 0.011 0.3111 0.3111
Trypanosoma brucei protein farnesyltransferase beta subunit 0.011 0.3111 1
Loa Loa (eye worm) hypothetical protein 0.0276 0.8712 0.8712
Schistosoma mansoni FTZ-F1 nuclear receptor-like protein 0.0033 0.0526 0.0526
Brugia malayi Nuclear hormone receptor family member nhr-3 0.0033 0.0526 0.0526
Schistosoma mansoni geranylgeranyl transferase type II beta subunit 0.003 0.0414 0.0414
Echinococcus granulosus retinoic acid receptor rxr beta a 0.0033 0.0526 0.0526
Schistosoma mansoni nuclear receptor 2DBD-gamma 0.0033 0.0526 0.0526
Schistosoma mansoni retinoic acid receptor RXR 0.0033 0.0526 0.0526
Trypanosoma cruzi Protein prenyltransferase alpha subunit repeat, putative 0.0081 0.2156 0.6459
Echinococcus multilocularis geranylgeranyl transferase type 2 subunit alpha 0.0081 0.2156 0.2156
Trypanosoma brucei Protein prenyltransferase alpha subunit repeat, putative 0.0081 0.2156 0.6459
Plasmodium falciparum geranylgeranyl transferase type-2 subunit alpha, putative 0.0081 0.2156 0.1817
Loa Loa (eye worm) steroid hormone receptor 0.0033 0.0526 0.0526
Loa Loa (eye worm) nuclear hormone receptor family member nhr-31 0.0033 0.0526 0.0526
Echinococcus multilocularis protein kinase c iota type 0.0117 0.3363 0.3363
Brugia malayi Ligand-binding domain of nuclear hormone receptor family protein 0.0033 0.0526 0.0526
Trichomonas vaginalis type I geranylgeranyltransferase beta subunit, putative 0.011 0.3111 0.2813
Echinococcus granulosus Mitotic checkpoint protein PRCC C terminal 0.0275 0.8677 0.8677
Brugia malayi Nuclear hormone receptor family member nhr-25 0.0033 0.0526 0.0526
Echinococcus multilocularis FTZ F1 nuclear receptor protein 0.0033 0.0526 0.0526
Schistosoma mansoni nuclear hormone receptor 0.0033 0.0526 0.0526
Schistosoma mansoni thyroid hormone receptor 0.0308 0.9793 0.9793
Schistosoma mansoni coup transcription factor 0.0033 0.0526 0.0526
Schistosoma mansoni serine/threonine protein kinase 0.0018 0.0005 0.0005
Entamoeba histolytica protein farnesyltransferase beta subunit, putative 0.011 0.3111 0.2813
Onchocerca volvulus 0.0081 0.2156 1
Trypanosoma cruzi protein farnesyltransferase alpha subunit, putative 0.0081 0.2156 0.6459
Trypanosoma brucei hypothetical protein, conserved 0.0081 0.2156 0.6459
Echinococcus multilocularis protein farnesyltransferase alpha subunit 0.0314 1 1
Schistosoma mansoni atypical protein kinase C 0.0124 0.3609 0.3609
Trichomonas vaginalis protein farnesyltransferase alpha subunit/RAB geranylgeranyl transferase alpha subunit, putative 0.0233 0.7255 0.7136
Schistosoma mansoni serine/threonine protein kinase 0.0018 0.0005 0.0005
Giardia lamblia Rab geranylgeranyltransferase 0.0081 0.2156 0.1817
Echinococcus multilocularis protein farnesyltransferase subunit beta 0.011 0.3111 0.3111
Brugia malayi nuclear receptor NHR-88 0.0033 0.0526 0.0526
Trichomonas vaginalis geranylgeranyl transferase type II beta subunit, putative 0.011 0.3111 0.2813
Loa Loa (eye worm) hypothetical protein 0.003 0.0414 0.0414
Plasmodium vivax protein prenyltransferase alpha subunit, putative 0.0081 0.2156 0.1817
Brugia malayi Prenyltransferase and squalene oxidase repeat family protein 0.003 0.0414 0.0414
Schistosoma mansoni thyroid hormone receptor 0.0308 0.9793 0.9793
Echinococcus multilocularis nuclear receptor 2DBD gamma 0.0033 0.0526 0.0526
Echinococcus granulosus nuclear receptor 2DBD gamma 0.0033 0.0526 0.0526
Brugia malayi Nuclear hormone receptor-like 1 0.0278 0.8775 0.8775
Loa Loa (eye worm) hypothetical protein 0.0033 0.0526 0.0526
Echinococcus multilocularis FTZ F1 alpha 0.0033 0.0526 0.0526
Entamoeba histolytica Rab geranylgeranyltransferase alpha subunit, putative 0.0081 0.2156 0.1817
Echinococcus multilocularis Mitotic checkpoint protein PRCC, C terminal 0.0275 0.8677 0.8677
Loa Loa (eye worm) prenyltransferase alpha subunit repeat containing protein 0.0314 1 1
Loa Loa (eye worm) prenyltransferase alpha subunit repeat containing protein 0.0081 0.2156 0.2156
Echinococcus granulosus protein farnesyltransferase alpha subunit 0.0314 1 1
Trichomonas vaginalis geranylgeranyl transferase type II beta subunit, putative 0.011 0.3111 0.2813
Loa Loa (eye worm) hypothetical protein 0.0033 0.0526 0.0526
Loa Loa (eye worm) hypothetical protein 0.003 0.0414 0.0414
Schistosoma mansoni nuclear hormone receptor nor-1/nor-2 0.0033 0.0526 0.0526
Giardia lamblia Prenyltransferase 0.011 0.3111 0.2813
Echinococcus multilocularis geranylgeranyl transferase type I beta subunit 0.003 0.0414 0.0414
Loa Loa (eye worm) hypothetical protein 0.0033 0.0526 0.0526
Loa Loa (eye worm) hypothetical protein 0.0033 0.0526 0.0526
Trypanosoma cruzi protein farnesyltransferase, putative 0.011 0.3111 1
Loa Loa (eye worm) AGC/PKC/ETA protein kinase 0.0018 0.0005 0.0005
Brugia malayi steroid hormone receptor 0.0033 0.0526 0.0526
Loa Loa (eye worm) nuclear hormone receptor family member nhr-1 0.0033 0.0526 0.0526
Schistosoma mansoni rab geranylgeranyl transferase alpha subunit 0.0081 0.2156 0.2156
Trichomonas vaginalis protein farnesyltransferase alpha subunit, putative 0.0081 0.2156 0.1817
Schistosoma mansoni RAR-like nuclear receptor 0.0033 0.0526 0.0526
Brugia malayi Nuclear hormone receptor family member nhr-19 0.0033 0.0526 0.0526
Schistosoma mansoni Tr4/Tr2 (homologue) 0.0033 0.0526 0.0526
Schistosoma mansoni geranylgeranyl transferase type I beta subunit 0.003 0.0414 0.0414
Echinococcus multilocularis hepatocyte nuclear factor 4 alpha 0.0033 0.0526 0.0526
Brugia malayi ecdysteroid receptor 0.0033 0.0526 0.0526
Brugia malayi Nuclear hormone receptor family member nhr-41 0.0033 0.0526 0.0526
Trypanosoma cruzi hypothetical protein, conserved 0.0081 0.2156 0.6459
Loa Loa (eye worm) nuclear hormone receptor family member nhr-14 0.0033 0.0526 0.0526
Loa Loa (eye worm) hypothetical protein 0.0033 0.0526 0.0526
Trichomonas vaginalis protein farnesyltransferase alpha subunit/RAB geranylgeranyl transferase alpha subunit, putative 0.0314 1 1
Echinococcus granulosus COUP TF:Svp nuclear hormone receptor 0.0033 0.0526 0.0526
Echinococcus granulosus Protein kinase C brain isozyme 0.0018 0.0005 0.0005
Schistosoma mansoni serine/threonine protein kinase 0.0018 0.0005 0.0005
Loa Loa (eye worm) prenyltransferase and squalene oxidase repeat family protein 0.011 0.3111 0.3111
Brugia malayi protein kinase C3,putative 0.0107 0.3022 0.3022
Mycobacterium tuberculosis Halimadienyl diphosphate synthase 0.003 0.0414 0.5
Echinococcus multilocularis ecdysone induced protein 78C 0.0033 0.0526 0.0526
Loa Loa (eye worm) nuclear hormone receptor family member nhr-49 0.0033 0.0526 0.0526
Echinococcus multilocularis Nuclear hormone receptor family member nhr 41 0.0033 0.0526 0.0526
Trichomonas vaginalis geranylgeranyl transferase type beta subunit, putative 0.011 0.3111 0.2813
Trypanosoma cruzi protein farnesyltransferase alpha subunit, putative 0.0081 0.2156 0.6459
Loa Loa (eye worm) hypothetical protein 0.0033 0.0526 0.0526
Trypanosoma cruzi protein farnesyltransferase, putative 0.011 0.3111 1
Toxoplasma gondii hypothetical protein 0.0081 0.2156 0.2546
Plasmodium falciparum protein farnesyltransferase subunit alpha 0.0314 1 1
Brugia malayi Prenyltransferase and squalene oxidase repeat family protein 0.011 0.3111 0.3111
Trichomonas vaginalis protein farnesyltransferase alpha subunit, putative 0.0314 1 1
Loa Loa (eye worm) hypothetical protein 0.0033 0.0526 0.0526

Activities

Activity type Activity value Assay description Source Reference
Kd (functional) = 7.22 In vitro antagonistic activity against alpha-2 adrenergic receptor in isolated electrically stimulated rat vas deferens(clonidine-induced decrease in twitch height) ChEMBL. 3039138
Ki (binding) = 135 nM Ability to displace [3H]-clonidine from alpha-2 adrenergic receptor in rat brain homogenates in vitro ChEMBL. 3039138

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

No literature references available for this target.

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