Detailed information for compound 205224

Basic information

Technical information
  • TDR Targets ID: 205224
  • Name: N-(2,2-diphenylethyl)-1,4,5,6,7,8-hexahydro-1 ,3-diazocin-2-amine
  • MW: 307.433 | Formula: C20H25N3
  • H donors: 2 H acceptors: 0 LogP: 3.53 Rotable bonds: 5
    Rule of 5 violations (Lipinski): 1
  • SMILES: C1CCNC(=NCC1)NCC(c1ccccc1)c1ccccc1
  • InChi: 1S/C20H25N3/c1-4-10-17(11-5-1)19(18-12-6-2-7-13-18)16-23-20-21-14-8-3-9-15-22-20/h1-2,4-7,10-13,19H,3,8-9,14-16H2,(H2,21,22,23)
  • InChiKey: GPGUFBWMKUTPFT-UHFFFAOYSA-N  

Network

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Synonyms

  • 2,2-diphenylethyl(1,4,5,6,7,8-hexahydro-1,3-diazocin-2-yl)amine
  • N-[2,2-di(phenyl)ethyl]-1,4,5,6,7,8-hexahydro-1,3-diazocin-2-amine
  • 2,2-di(phenyl)ethyl-(1,4,5,6,7,8-hexahydro-1,3-diazocin-2-yl)amine

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Rattus norvegicus Voltage-gated L-type calcium channel alpha-1C subunit Starlite/ChEMBL No references

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Echinococcus multilocularis voltage dependent L type calcium channel subunit Get druggable targets OG5_126791 All targets in OG5_126791
Schistosoma japonicum Voltage-dependent P/Q-type calcium channel subunit alpha-1A, putative Get druggable targets OG5_126791 All targets in OG5_126791
Trypanosoma cruzi Voltage-dependent calcium channel subunit, putative Get druggable targets OG5_126791 All targets in OG5_126791
Neospora caninum hypothetical protein Get druggable targets OG5_126791 All targets in OG5_126791
Schistosoma japonicum Voltage-dependent calcium channel type D subunit alpha-1, putative Get druggable targets OG5_126791 All targets in OG5_126791
Echinococcus granulosus voltage dependent calcium channel Get druggable targets OG5_126791 All targets in OG5_126791
Trypanosoma congolense Voltage-dependent calcium channel subunit, putative Get druggable targets OG5_126791 All targets in OG5_126791
Schistosoma japonicum Muscle calcium channel subunit alpha-1, putative Get druggable targets OG5_126791 All targets in OG5_126791
Schistosoma mansoni high voltage-activated calcium channel Cav1 Get druggable targets OG5_126791 All targets in OG5_126791
Echinococcus granulosus voltage dependent L type calcium channel subunit|voltage dependent calcium channel Get druggable targets OG5_126791 All targets in OG5_126791
Schistosoma japonicum Voltage-dependent N-type calcium channel subunit alpha-1B, putative Get druggable targets OG5_126791 All targets in OG5_126791
Schistosoma japonicum Voltage-dependent P/Q-type calcium channel subunit alpha-1A, putative Get druggable targets OG5_126791 All targets in OG5_126791
Trypanosoma brucei gambiense calcium channel protein, putative Get druggable targets OG5_126791 All targets in OG5_126791
Schistosoma japonicum Probable voltage-dependent R-type calcium channel subunit alpha-1E, putative Get druggable targets OG5_126791 All targets in OG5_126791
Schistosoma japonicum Voltage-dependent calcium channel type A subunit alpha-1, putative Get druggable targets OG5_126791 All targets in OG5_126791
Schistosoma japonicum ko:K04344 calcium channel, voltage-dependent, P/Q type, alpha 1A subunit, putative Get druggable targets OG5_126791 All targets in OG5_126791
Toxoplasma gondii hypothetical protein Get druggable targets OG5_126791 All targets in OG5_126791
Schistosoma japonicum Voltage-dependent calcium channel type D subunit alpha-1, putative Get druggable targets OG5_126791 All targets in OG5_126791
Schistosoma mansoni voltage-gated cation channel Get druggable targets OG5_126791 All targets in OG5_126791
Brugia malayi Voltage-gated calcium channel, L-type, alpha subunit. C. elegans egl-19 ortholog Get druggable targets OG5_126791 All targets in OG5_126791
Echinococcus multilocularis voltage dependent calcium channel type d subunit Get druggable targets OG5_126791 All targets in OG5_126791
Echinococcus granulosus voltage dependent calcium channel type d subunit|voltage dependent calcium channel alpha 1 Get druggable targets OG5_126791 All targets in OG5_126791
Echinococcus granulosus voltage dependent calcium channel type d subunit|voltage dependent calcium channel|voltage dependent L type calcium channel subu Get druggable targets OG5_126791 All targets in OG5_126791
Echinococcus granulosus voltage dependent calcium channel Get druggable targets OG5_126791 All targets in OG5_126791
Loa Loa (eye worm) voltage-dependent calcium channel Get druggable targets OG5_126791 All targets in OG5_126791
Toxoplasma gondii transporter, cation channel family protein Get druggable targets OG5_126791 All targets in OG5_126791
Schistosoma japonicum expressed protein Get druggable targets OG5_126791 All targets in OG5_126791
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_126791 All targets in OG5_126791
Echinococcus multilocularis voltage dependent calcium channel type d subunit Get druggable targets OG5_126791 All targets in OG5_126791
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_126791 All targets in OG5_126791
Loa Loa (eye worm) calcium channel Get druggable targets OG5_126791 All targets in OG5_126791
Schistosoma japonicum ko:K04853 calcium channel, voltage-dependent, L type, alpha 1F subunit, putative Get druggable targets OG5_126791 All targets in OG5_126791
Schistosoma japonicum Voltage-dependent calcium channel type A subunit alpha-1, putative Get druggable targets OG5_126791 All targets in OG5_126791
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_126791 All targets in OG5_126791
Schistosoma japonicum expressed protein Get druggable targets OG5_126791 All targets in OG5_126791
Echinococcus multilocularis voltage dependent calcium channel Get druggable targets OG5_126791 All targets in OG5_126791
Schistosoma japonicum Voltage-dependent P/Q-type calcium channel subunit alpha-1A, putative Get druggable targets OG5_126791 All targets in OG5_126791
Schistosoma japonicum Voltage-dependent P/Q-type calcium channel subunit alpha-1A, putative Get druggable targets OG5_126791 All targets in OG5_126791
Echinococcus multilocularis voltage dependent L type calcium channel subunit Get druggable targets OG5_126791 All targets in OG5_126791
Schistosoma japonicum Voltage-dependent P/Q-type calcium channel subunit alpha-1A, putative Get druggable targets OG5_126791 All targets in OG5_126791
Schistosoma japonicum ko:K04850 calcium channel, voltage-dependent, L type, alpha 1C subunit, putative Get druggable targets OG5_126791 All targets in OG5_126791
Schistosoma mansoni high voltage-activated calcium channel Cav2A Get druggable targets OG5_126791 All targets in OG5_126791
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_126791 All targets in OG5_126791
Echinococcus multilocularis voltage dependent calcium channel Get druggable targets OG5_126791 All targets in OG5_126791
Schistosoma japonicum ko:K04849 calcium channel, voltage-dependent, N type, alpha 1B subunit, putative Get druggable targets OG5_126791 All targets in OG5_126791
Trypanosoma brucei Voltage-dependent calcium channel subunit, putative Get druggable targets OG5_126791 All targets in OG5_126791

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
Loa Loa (eye worm) hypothetical protein 0.0451 0.7215 0.7215
Echinococcus multilocularis voltage dependent calcium channel 0.0093 0.0349 0.0349
Echinococcus multilocularis aminopeptidase N 0.0254 0.3437 0.3437
Onchocerca volvulus 0.0254 0.3437 0.8123
Echinococcus granulosus voltage dependent L type calcium channel subunit|voltage dependent calcium channel 0.0093 0.0349 0.0349
Trypanosoma cruzi metallo-peptidase, clan MA(E), family M1, putative 0.0075 0 0.5
Loa Loa (eye worm) hypothetical protein 0.0451 0.7215 0.7215
Schistosoma mansoni family M13 non-peptidase homologue (M13 family) 0.0301 0.4335 0.4335
Leishmania major aminopeptidase, putative,metallo-peptidase, Clan MA(E), Family M1 0.0075 0 0.5
Schistosoma mansoni neprilysin 0.0156 0.155 0.155
Brugia malayi Voltage-gated calcium channel, L-type, alpha subunit. C. elegans egl-19 ortholog 0.0093 0.0349 0.0349
Trichomonas vaginalis Clan MA, family M1, aminopeptidase N-like metallopeptidase 0.0075 0 0.5
Loa Loa (eye worm) hypothetical protein 0.0295 0.4231 0.4231
Echinococcus multilocularis voltage dependent calcium channel type d subunit 0.0093 0.0349 0.0349
Brugia malayi Hypothetical zinc metalloproteinase T16A9.4 0.0596 1 1
Schistosoma mansoni hypothetical protein 0.0156 0.155 0.155
Schistosoma mansoni family M13 unassigned peptidase (M13 family) 0.0156 0.155 0.155
Schistosoma mansoni endothelin-converting enzyme-related 0.0145 0.1351 0.1351
Schistosoma mansoni voltage-gated cation channel 0.0093 0.0349 0.0349
Trichomonas vaginalis Clan MA, family M1, aminopeptidase N-like metallopeptidase 0.0075 0 0.5
Schistosoma mansoni neprilysin-2 (M13 family) 0.0301 0.4335 0.4335
Schistosoma mansoni hypothetical protein 0.0156 0.155 0.155
Loa Loa (eye worm) peptidase family M13 containing protein 0.0441 0.7016 0.7016
Loa Loa (eye worm) hypothetical protein 0.0441 0.7016 0.7016
Schistosoma mansoni high voltage-activated calcium channel Cav1 0.0093 0.0349 0.0349
Mycobacterium ulcerans zinc metalloprotease 0.0596 1 1
Loa Loa (eye worm) hypothetical protein 0.0093 0.0349 0.0349
Loa Loa (eye worm) hypothetical protein 0.0441 0.7016 0.7016
Schistosoma mansoni family M13 non-peptidase homologue (M13 family) 0.0145 0.1351 0.1351
Schistosoma mansoni endothelin-converting enzyme-like 1 (damage-induced neuronal endopeptidase) 0.0145 0.1351 0.1351
Loa Loa (eye worm) hypothetical protein 0.0441 0.7016 0.7016
Loa Loa (eye worm) hypothetical protein 0.0451 0.7215 0.7215
Loa Loa (eye worm) calcium channel 0.0093 0.0349 0.0349
Echinococcus granulosus voltage dependent calcium channel 0.0093 0.0349 0.0349
Echinococcus granulosus voltage dependent calcium channel type d subunit|voltage dependent calcium channel alpha 1 0.0093 0.0349 0.0349
Echinococcus multilocularis voltage dependent calcium channel type d subunit 0.0093 0.0349 0.0349
Schistosoma mansoni hypothetical protein 0.0156 0.155 0.155
Echinococcus granulosus endothelin converting enzyme 1 0.0596 1 1
Brugia malayi Peptidase family M1 containing protein 0.0254 0.3437 0.3437
Echinococcus multilocularis voltage dependent calcium channel 0.0093 0.0349 0.0349
Leishmania major aminopeptidase-like protein,metallo-peptidase, Clan MA(E), Family M1 0.0075 0 0.5
Schistosoma mansoni family M13 unassigned peptidase (M13 family) 0.0145 0.1351 0.1351
Loa Loa (eye worm) hypothetical protein 0.0451 0.7215 0.7215
Schistosoma mansoni family M13 unassigned peptidase (M13 family) 0.0145 0.1351 0.1351
Schistosoma mansoni Nep2 peptidase (M13 family) 0.0301 0.4335 0.4335
Toxoplasma gondii peptidase family M13 protein 0.0596 1 0.5
Schistosoma mansoni family M13 unassigned peptidase (M13 family) 0.0145 0.1351 0.1351
Mycobacterium tuberculosis Probable zinc metalloprotease Zmp1 0.0596 1 0.5
Schistosoma mansoni family M13 unassigned peptidase (M13 family) 0.0301 0.4335 0.4335
Loa Loa (eye worm) hypothetical protein 0.0441 0.7016 0.7016
Trypanosoma cruzi aminopeptidase, putative 0.0075 0 0.5
Entamoeba histolytica aminopeptidase, putative 0.0075 0 0.5
Loa Loa (eye worm) peptidase family M13 containing protein 0.0441 0.7016 0.7016
Schistosoma mansoni hypothetical protein 0.0156 0.155 0.155
Loa Loa (eye worm) zinc metallopeptidase 4 0.0145 0.1351 0.1351
Trypanosoma brucei Aminopeptidase M1, putative 0.0075 0 0.5
Echinococcus multilocularis voltage dependent L type calcium channel subunit 0.0093 0.0349 0.0349
Trypanosoma brucei Aminopeptidase M1, putative 0.0075 0 0.5
Echinococcus granulosus aminopeptidase N 0.0254 0.3437 0.3437
Loa Loa (eye worm) hypothetical protein 0.0596 1 1
Loa Loa (eye worm) hypothetical protein 0.0228 0.2933 0.2933
Schistosoma mansoni family M13 unassigned peptidase (M13 family) 0.0301 0.4335 0.4335
Trypanosoma cruzi Aminopeptidase M1, putative 0.0075 0 0.5
Schistosoma mansoni hypothetical protein 0.0156 0.155 0.155
Loa Loa (eye worm) hypothetical protein 0.0596 1 1
Schistosoma mansoni hypothetical protein 0.0156 0.155 0.155
Loa Loa (eye worm) peptidase family M1 containing protein 0.0206 0.2507 0.2507
Loa Loa (eye worm) hypothetical protein 0.0179 0.2003 0.2003
Schistosoma mansoni high voltage-activated calcium channel Cav2A 0.0093 0.0349 0.0349
Brugia malayi peptidase family M13 containing protein 0.0145 0.1351 0.1351
Loa Loa (eye worm) hypothetical protein 0.0451 0.7215 0.7215
Echinococcus multilocularis endothelin converting enzyme 1 0.0596 1 1
Loa Loa (eye worm) hypothetical protein 0.0451 0.7215 0.7215
Onchocerca volvulus 0.0295 0.4231 1
Mycobacterium leprae probable zinc metalloprotease 0.0596 1 0.5
Echinococcus multilocularis voltage dependent L type calcium channel subunit 0.0093 0.0349 0.0349
Schistosoma mansoni family M13 unassigned peptidase (M13 family) 0.0596 1 1
Echinococcus granulosus voltage dependent calcium channel type d subunit|voltage dependent calcium channel|voltage dependent L type calcium channel subu 0.0093 0.0349 0.0349
Loa Loa (eye worm) hypothetical protein 0.0596 1 1
Trypanosoma brucei metallo-peptidase, Clan MA(E) Family M1 0.0075 0 0.5

Activities

Activity type Activity value Assay description Source Reference
IC50 (binding) > 1 uM Binding of [3H]-nitrendipine to calcium channel in rat heart membranes was determined ChEMBL. No reference
IC50 (binding) > 1 uM Binding of [3H]-nitrendipine to calcium channel in rat heart membranes was determined ChEMBL. No reference
pA2 (functional) = 6.6 Calcium channel-blocking effect was assessed in potassium ion depolarized guinea pig ileum strips by recording the contractile responses produced by varying concentrations of calcium chloride ChEMBL. No reference

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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