Detailed information for compound 950385

Basic information

Technical information
  • TDR Targets ID: 950385
  • Name: 4-(3-chlorophenyl)-6-(dimethoxymethyl)-2-meth yl-5-[(E)-3-phenylprop-2-enoxy]carbonyl-1,4-d ihydropyridine-3-carboxylic acid
  • MW: 483.941 | Formula: C26H26ClNO6
  • H donors: 2 H acceptors: 3 LogP: 4.26 Rotable bonds: 10
    Rule of 5 violations (Lipinski): 1
  • SMILES: COC(C1=C(C(=O)OC/C=C/c2ccccc2)C(C(=C(N1)C)C(=O)O)c1cccc(c1)Cl)OC
  • InChi: 1S/C26H26ClNO6/c1-16-20(24(29)30)21(18-12-7-13-19(27)15-18)22(23(28-16)26(32-2)33-3)25(31)34-14-8-11-17-9-5-4-6-10-17/h4-13,15,21,26,28H,14H2,1-3H3,(H,29,30)/b11-8+
  • InChiKey: DYCQZLTXFOLEKQ-DHZHZOJOSA-N  

Network

Hover on a compound node to display the structore

Synonyms

  • 4-(3-chlorophenyl)-6-(dimethoxymethyl)-2-methyl-5-[oxo-[(E)-3-phenylprop-2-enoxy]methyl]-1,4-dihydropyridine-3-carboxylic acid

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Homo sapiens calcium channel, voltage-dependent, N type, alpha 1B subunit Starlite/ChEMBL References

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Schistosoma japonicum Voltage-dependent N-type calcium channel subunit alpha-1B, 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
Loa Loa (eye worm) hypothetical protein 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
Loa Loa (eye worm) hypothetical 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 granulosus voltage dependent L type calcium channel subunit|voltage dependent calcium channel 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
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 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 calcium channel type A subunit alpha-1, putative 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
Trypanosoma brucei gambiense calcium channel protein, putative 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
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
Schistosoma mansoni high voltage-activated calcium channel Cav2A 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
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
Schistosoma mansoni high voltage-activated calcium channel Cav1 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
Neospora caninum 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
Trypanosoma cruzi Voltage-dependent calcium channel subunit, putative 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
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
Schistosoma japonicum Voltage-dependent P/Q-type calcium channel subunit alpha-1A, putative 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
Loa Loa (eye worm) calcium channel 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
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 Muscle calcium channel 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
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 Probable voltage-dependent R-type calcium channel subunit alpha-1E, putative 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
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
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) voltage-dependent calcium channel 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
Schistosoma japonicum Voltage-dependent calcium channel type D 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 ko:K04850 calcium channel, voltage-dependent, L type, alpha 1C 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
Leishmania major dipeptidyl-peptidase 8-like serine peptidase, putative,serine peptidase, Clan SC, Family S9B 0.0942 1 1
Trichomonas vaginalis Clan SC, family S9, acylaminoacyl-peptidase-like serine peptidase 0.0114 0.072 0.5
Trypanosoma cruzi oligopeptidase b 0.0114 0.072 0.0493
Brugia malayi Voltage-gated calcium channel, L-type, alpha subunit. C. elegans egl-19 ortholog 0.0116 0.0749 0.003
Brugia malayi hypothetical protein 0.0368 0.3572 0.3073
Echinococcus multilocularis voltage dependent calcium channel 0.0116 0.0749 0.0749
Echinococcus multilocularis acylamino acid releasing enzyme 0.0114 0.072 0.072
Trypanosoma brucei Alpha/beta hydrolase domain-containing protein 0.0114 0.072 0.0493
Echinococcus granulosus acylamino acid releasing enzyme 0.0114 0.072 0.072
Trichomonas vaginalis Clan SC, family S33, methylesterase-like serine peptidase 0.0114 0.072 0.5
Entamoeba histolytica hypothetical protein, conserved 0.0114 0.072 0.5
Echinococcus multilocularis Lysosomal Pro X carboxypeptidase 0.0374 0.3637 0.3637
Giardia lamblia Alanyl dipeptidyl peptidase 0.0114 0.072 0.5
Loa Loa (eye worm) prolyl oligopeptidase 0.0482 0.4844 0.7998
Giardia lamblia Alanyl dipeptidyl peptidase 0.0114 0.072 0.5
Echinococcus granulosus voltage dependent calcium channel 0.0116 0.0749 0.0749
Plasmodium vivax hypothetical protein, conserved 0.0114 0.072 0.5
Echinococcus granulosus prolyl endopeptidase 0.0114 0.072 0.072
Brugia malayi prolyl oligopeptidase family protein 0.0482 0.4844 0.4444
Mycobacterium ulcerans protease II (oligopeptidase B), PtrB 0.0114 0.072 0.5
Trypanosoma brucei serine peptidase, clan SC, family S9A-like protein 0.0114 0.072 0.0493
Entamoeba histolytica prolyl oligopeptidase family protein 0.0114 0.072 0.5
Entamoeba histolytica prolyl oligopeptidase family protein 0.0114 0.072 0.5
Echinococcus multilocularis Dipeptidyl peptidase 9 0.0942 1 1
Echinococcus multilocularis dipeptidyl aminopeptidaseprotein 0.0482 0.4844 0.4844
Trypanosoma cruzi hypothetical protein, conserved 0.0114 0.072 0.0493
Echinococcus multilocularis voltage dependent L type calcium channel subunit 0.0116 0.0749 0.0749
Echinococcus multilocularis voltage dependent calcium channel type d subunit 0.0116 0.0749 0.0749
Mycobacterium leprae PROBABLE PROTEASE II PTRBB (OLIGOPEPTIDASE B) 0.0114 0.072 0.5
Echinococcus multilocularis voltage dependent L type calcium channel subunit 0.0116 0.0749 0.0749
Schistosoma mansoni subfamily S9B unassigned peptidase (S09 family) 0.0482 0.4844 0.4444
Echinococcus multilocularis prolyl endopeptidase 0.0114 0.072 0.072
Trypanosoma brucei prolyl oligopeptidase, putative 0.0114 0.072 0.0493
Loa Loa (eye worm) calcium channel 0.0116 0.0749 0.0055
Echinococcus granulosus voltage dependent L type calcium channel subunit|voltage dependent calcium channel 0.0116 0.0749 0.0749
Mycobacterium tuberculosis Probable peptidase 0.0114 0.072 0.5
Trypanosoma cruzi oligopeptidase B-like protein, putative 0.0114 0.072 0.0493
Mycobacterium tuberculosis Probable protease II PtrBb [second part] (oligopeptidase B) 0.0114 0.072 0.5
Schistosoma mansoni voltage-gated cation channel 0.0116 0.0749 0.003
Echinococcus multilocularis voltage dependent calcium channel type d subunit 0.0116 0.0749 0.0749
Trypanosoma cruzi serine peptidase, Clan SC, Family S9B 0.0942 1 1
Plasmodium falciparum peptidase, putative 0.0114 0.072 0.5
Schistosoma mansoni high voltage-activated calcium channel Cav2A 0.0116 0.0749 0.003
Trypanosoma brucei Dipeptidyl-peptidase 8-like, putative 0.0942 1 1
Schistosoma mansoni high voltage-activated calcium channel Cav1 0.0116 0.0749 0.003
Entamoeba histolytica dipeptidyl-peptidase, putative 0.0114 0.072 0.5
Echinococcus granulosus dipeptidyl aminopeptidaseprotein 0.0482 0.4844 0.4844
Loa Loa (eye worm) hypothetical protein 0.0574 0.5876 1
Trypanosoma cruzi hypothetical protein, conserved 0.0114 0.072 0.0493
Loa Loa (eye worm) hypothetical protein 0.0116 0.0749 0.0055
Onchocerca volvulus Dipeptidyl peptidase family member 1 homolog 0.0482 0.4844 1
Entamoeba histolytica prolyl oligopeptidase family protein 0.0114 0.072 0.5
Trypanosoma cruzi dipeptidyl-peptidase 8-like serine peptidase 0.0942 1 1
Schistosoma mansoni dipeptidyl-peptidase 9 (S09 family) 0.0942 1 1
Trypanosoma brucei serine peptidase, Clan SC, Family S9B 0.0942 1 1
Trypanosoma brucei prolyl endopeptidase 0.0114 0.072 0.0493
Echinococcus multilocularis voltage dependent calcium channel 0.0116 0.0749 0.0749
Entamoeba histolytica dipeptidyl-peptidase, putative 0.0114 0.072 0.5
Trypanosoma brucei oligopeptidase b 0.0114 0.072 0.0493
Echinococcus granulosus Dipeptidyl peptidase 9 0.0942 1 1
Echinococcus granulosus voltage dependent calcium channel type d subunit|voltage dependent calcium channel alpha 1 0.0116 0.0749 0.0749
Trypanosoma cruzi oligopeptidase b 0.0114 0.072 0.0493
Schistosoma mansoni family S28 unassigned peptidase (S28 family) 0.0374 0.3637 0.3143
Trypanosoma cruzi serine peptidase, clan SC, family S9A-like protein, putative 0.0114 0.072 0.0493
Echinococcus granulosus voltage dependent calcium channel type d subunit|voltage dependent calcium channel|voltage dependent L type calcium channel subu 0.0116 0.0749 0.0749
Toxoplasma gondii dipeptidyl peptidase iv (dpp iv) n-terminal region domain-containing protein 0.0482 0.4844 1
Echinococcus granulosus Lysosomal Pro X carboxypeptidase 0.0374 0.3637 0.3637
Trichomonas vaginalis conserved hypothetical protein 0.0114 0.072 0.5
Loa Loa (eye worm) hypothetical protein 0.0368 0.3572 0.5531
Trypanosoma cruzi prolyl endopeptidase 0.0114 0.072 0.0493

Activities

Activity type Activity value Assay description Source Reference
IC50 (binding) = 3 uM Inhibition of N-type voltage-dependent calcium channel CaV2.2 in human IMR32 cells assessed as inhibition of KCl-induced increase in intracellular calcium concentration preincubated for 4 to 5 mins before KCl challenge ChEMBL. 22560585

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.

If you have references for this compound, please enter them in a user comment (below) or Contact us.