Detailed information for compound 1179754

Basic information

Technical information
  • TDR Targets ID: 1179754
  • Name: 2-(3,4-dihydronaphthalen-2-ylmethyl)-4,5-dihy dro-1H-imidazole hydrochloride
  • MW: 248.751 | Formula: C14H17ClN2
  • H donors: 1 H acceptors: 0 LogP: 2.25 Rotable bonds: 2
    Rule of 5 violations (Lipinski): 1
  • SMILES: C1CN=C(N1)CC1=Cc2c(CC1)cccc2.Cl
  • InChi: 1S/C14H16N2.ClH/c1-2-4-13-9-11(5-6-12(13)3-1)10-14-15-7-8-16-14;/h1-4,9H,5-8,10H2,(H,15,16);1H
  • InChiKey: QSIVIHAAKDQDHY-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

  • 87495-33-8
  • D05119
  • Napamezole hydochloride
  • Napamezole hydochloride (USAN)
  • 2-((3,4-Dihydro-2-naphthyl)methyl)-2-imidazoline hydrochloride
  • NAPAMEZOLE HYDROCHLORIDE
  • Napamezole hydrochloride [USAN]
  • Win 51181-2

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Rattus norvegicus Adrenergic receptor alpha-2 Starlite/ChEMBL References
Rattus norvegicus Adrenergic receptor alpha-1 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 %
Echinococcus multilocularis neuropeptides capa receptor Adrenergic receptor alpha-2   450 aa 486 aa 20.6 %
Onchocerca volvulus Adrenergic receptor alpha-2   450 aa 467 aa 25.1 %
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 %
Schistosoma mansoni amine GPCR Adrenergic receptor alpha-2   450 aa 439 aa 29.2 %
Echinococcus multilocularis serotonin receptor Adrenergic receptor alpha-2   450 aa 426 aa 31.9 %
Echinococcus multilocularis fmrfamide receptor Adrenergic receptor alpha-2   450 aa 366 aa 19.9 %
Schistosoma japonicum ko:K04207 neuropeptide Y receptor Y5, putative Adrenergic receptor alpha-2   450 aa 378 aa 20.9 %
Loa Loa (eye worm) TYRA-2 protein Adrenergic receptor alpha-2   450 aa 488 aa 23.8 %
Echinococcus granulosus biogenic amine 5HT receptor Adrenergic receptor alpha-2   450 aa 423 aa 31.7 %
Onchocerca volvulus Adrenergic receptor alpha-2   450 aa 420 aa 19.8 %
Echinococcus granulosus alpha 1A adrenergic receptor Adrenergic receptor alpha-2   450 aa 476 aa 21.0 %
Obtained from network model

Ranking Plot

Putative Targets List

Species Potential target Raw Global Species
Loa Loa (eye worm) peptidase family M13 containing protein 0.047 0.279 0.279
Loa Loa (eye worm) hypothetical protein 0.0315 0.1151 0.1151
Echinococcus multilocularis endothelin converting enzyme 1 0.0637 0.4545 1
Loa Loa (eye worm) hypothetical protein 0.0637 0.4545 0.4545
Echinococcus granulosus endothelin converting enzyme 1 0.0637 0.4545 1
Loa Loa (eye worm) hypothetical protein 0.0637 0.4545 0.4545
Schistosoma mansoni family M13 unassigned peptidase (M13 family) 0.0321 0.1213 0.2669
Schistosoma mansoni family M13 unassigned peptidase (M13 family) 0.0637 0.4545 1
Schistosoma mansoni family M13 unassigned peptidase (M13 family) 0.0321 0.1213 0.2669
Schistosoma mansoni Nep2 peptidase (M13 family) 0.0321 0.1213 0.2669
Loa Loa (eye worm) hypothetical protein 0.0482 0.2907 0.2907
Brugia malayi Hypothetical zinc metalloproteinase T16A9.4 0.0637 0.4545 1
Loa Loa (eye worm) hypothetical protein 0.047 0.279 0.279
Mycobacterium tuberculosis Probable zinc metalloprotease Zmp1 0.0637 0.4545 0.5
Onchocerca volvulus 0.0315 0.1151 1
Brugia malayi gamma-aminobutyric-acid receptor beta subunit precursor 0.0546 0.3591 0.7902
Brugia malayi Peptidase family M13 containing protein 0.0637 0.4545 1
Loa Loa (eye worm) hypothetical protein 0.0482 0.2907 0.2907
Loa Loa (eye worm) hypothetical protein 0.0451 0.2585 0.2585
Loa Loa (eye worm) hypothetical protein 0.0482 0.2907 0.2907
Loa Loa (eye worm) hypothetical protein 0.047 0.279 0.279
Loa Loa (eye worm) hypothetical protein 0.0482 0.2907 0.2907
Schistosoma mansoni neprilysin-2 (M13 family) 0.0321 0.1213 0.2669
Schistosoma mansoni family M13 non-peptidase homologue (M13 family) 0.0321 0.1213 0.2669
Loa Loa (eye worm) hypothetical protein 0.0482 0.2907 0.2907
Toxoplasma gondii peptidase family M13 protein 0.0637 0.4545 0.5
Mycobacterium leprae probable zinc metalloprotease 0.0637 0.4545 0.5
Loa Loa (eye worm) hypothetical protein 0.0546 0.3591 0.3591
Loa Loa (eye worm) hypothetical protein 0.047 0.279 0.279
Loa Loa (eye worm) hypothetical protein 0.0637 0.4545 0.4545
Loa Loa (eye worm) hypothetical protein 0.0482 0.2907 0.2907
Mycobacterium ulcerans zinc metalloprotease 0.0637 0.4545 0.5
Loa Loa (eye worm) peptidase family M13 containing protein 0.047 0.279 0.279
Loa Loa (eye worm) hypothetical protein 0.047 0.279 0.279

Activities

Activity type Activity value Assay description Source Reference
ED50 (functional) = 36 mg kg-1 Effective dose of the compound required to antogonise clonidine-induced antinociception(ACA) in mouse by peroral administration;Values ranges from: 15-86 ChEMBL. 3039138
Inhibition (functional) = 35 % Effective dose of the compound required for inhibition of tetrabenazine-induced ptosis in mouse by peroral administration at maximum response 30. ChEMBL. 3039138
Kd (functional) = 6.87 In vitro antagonistic activity against alpha-1 adrenergic receptor in isolated electrically stimulated rat vas deferens(methoxamine-induced decrease in twitch height) ChEMBL. 3039138
Kd (functional) = 7.76 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) = 23 nM Ability to displace [3H]-clonidine from alpha-2 adrenergic receptor in rat brain homogenates in vitro ChEMBL. 3039138
Ki (binding) = 78 nM Ability to displace [3H]-prazosin from alpha-1 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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