Detailed information for compound 276568

Basic information

Technical information
  • TDR Targets ID: 276568
  • Name: 3,4-dichloro-N-(3,6-dihydro-2H-pyridin-1-yl)b enzamide
  • MW: 271.142 | Formula: C12H12Cl2N2O
  • H donors: 1 H acceptors: 1 LogP: 3.38 Rotable bonds: 3
    Rule of 5 violations (Lipinski): 1
  • SMILES: O=C(c1ccc(c(c1)Cl)Cl)NN1CCC=CC1
  • InChi: 1S/C12H12Cl2N2O/c13-10-5-4-9(8-11(10)14)12(17)15-16-6-2-1-3-7-16/h1-2,4-5,8H,3,6-7H2,(H,15,17)
  • InChiKey: ZVBDWZNKCYYCNO-UHFFFAOYSA-N  

Network

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Synonyms

No synonyms found for this compound

Targets

Known targets for this compound

No curated genes were found associated with this compound

Predicted pathogen targets for this compound

By orthology
No druggable targets predicted by orthology data
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) animal heme peroxidase 0.0174 0.6062 1
Onchocerca volvulus 0.0174 0.6062 1
Echinococcus multilocularis peroxidasin 0.0174 0.6062 0.6062
Onchocerca volvulus Chorion peroxidase homolog 0.0174 0.6062 1
Schistosoma mansoni lipoxygenase 0.0188 0.6646 0.6646
Schistosoma mansoni rab6-interacting 0.0045 0.0717 0.0717
Plasmodium falciparum LCCL domain-containing protein 0.0045 0.0717 0.5
Loa Loa (eye worm) animal heme peroxidase 0.0174 0.6062 1
Loa Loa (eye worm) animal heme peroxidase 0.0174 0.6062 1
Onchocerca volvulus 0.0045 0.0717 0.1182
Onchocerca volvulus Peroxidasin homolog 0.0174 0.6062 1
Echinococcus multilocularis lipoxygenase domain containing protein 0.0045 0.0717 0.0717
Brugia malayi hypothetical protein 0.0045 0.0717 0.1182
Trichomonas vaginalis voltage and ligand gated potassium channel, putative 0.0033 0.0238 0.5
Onchocerca volvulus 0.0174 0.6062 1
Echinococcus granulosus Polycystic kidney disease protein 0.0045 0.0717 0.0717
Onchocerca volvulus Dual oxidase homolog 0.0174 0.6062 1
Brugia malayi Animal haem peroxidase family protein 0.0174 0.6062 1
Trichomonas vaginalis voltage and ligand gated potassium channel, putative 0.0033 0.0238 0.5
Onchocerca volvulus Peroxidasin homolog 0.0174 0.6062 1
Schistosoma mansoni voltage-gated potassium channel 0.0039 0.0472 0.0472
Brugia malayi Animal haem peroxidase family protein 0.0174 0.6062 1
Brugia malayi Voltage-gated potassium channel, HERG (KCNH2)-related. C. elegans unc-103 ortholog 0.0036 0.0336 0.0554
Loa Loa (eye worm) blistered cuticle protein 3 0.0174 0.6062 1
Loa Loa (eye worm) doublecortin family protein 0.0045 0.0717 0.1182
Loa Loa (eye worm) hypothetical protein 0.0174 0.6062 1
Loa Loa (eye worm) hypothetical protein 0.0174 0.6062 1
Plasmodium vivax multidomain scavenger receptor, putative 0.0045 0.0717 0.5
Schistosoma mansoni polycystin 1-related 0.0045 0.0717 0.0717
Schistosoma mansoni lipoxygenase 0.0269 1 1
Onchocerca volvulus Peroxidase homolog 0.0174 0.6062 1
Onchocerca volvulus 0.0174 0.6062 1
Echinococcus granulosus lipoxygenase domain containing protein 0.0045 0.0717 0.0717
Loa Loa (eye worm) hypothetical protein 0.0174 0.6062 1
Echinococcus multilocularis potassium voltage gated channel subfamily H 0.0036 0.0336 0.0336
Onchocerca volvulus 0.0045 0.0717 0.1182
Schistosoma mansoni hypothetical protein 0.0045 0.0717 0.0717
Loa Loa (eye worm) hypothetical protein 0.0045 0.0717 0.1182
Loa Loa (eye worm) hypothetical protein 0.0174 0.6062 1
Loa Loa (eye worm) hypothetical protein 0.0174 0.6062 1
Brugia malayi hypothetical protein 0.0174 0.6062 1
Echinococcus granulosus potassium voltage gated channel subfamily H 0.0036 0.0336 0.0336
Brugia malayi Doublecortin family protein 0.0045 0.0717 0.1182
Echinococcus granulosus lipoxygenase domain containing protein 0.0045 0.0717 0.0717
Brugia malayi Animal haem peroxidase family protein 0.0174 0.6062 1
Schistosoma mansoni peroxidasin 0.0174 0.6062 0.6062
Loa Loa (eye worm) hypothetical protein 0.0174 0.6062 1
Echinococcus multilocularis arachidonate 5 lipoxygenase 0.0269 1 1
Loa Loa (eye worm) hypothetical protein 0.0174 0.6062 1
Loa Loa (eye worm) hypothetical protein 0.0031 0.014 0.0231
Brugia malayi Peroxidasin 0.0174 0.6062 1
Brugia malayi Blistered cuticle protein 3 0.0174 0.6062 1
Schistosoma mansoni rab6-interacting 0.0045 0.0717 0.0717
Loa Loa (eye worm) animal heme peroxidase 0.0174 0.6062 1
Brugia malayi Animal haem peroxidase family protein 0.0174 0.6062 1
Echinococcus multilocularis lipoxygenase domain containing protein 0.0045 0.0717 0.0717
Loa Loa (eye worm) hypothetical protein 0.0174 0.6062 1
Echinococcus multilocularis Polycystic kidney disease protein 0.0045 0.0717 0.0717
Echinococcus multilocularis RUN 0.0045 0.0717 0.0717
Brugia malayi hypothetical protein 0.0045 0.0717 0.1182
Loa Loa (eye worm) hypothetical protein 0.0174 0.6062 1
Loa Loa (eye worm) voltage and ligand gated potassium channel 0.0036 0.0336 0.0554
Loa Loa (eye worm) hypothetical protein 0.0174 0.6062 1
Schistosoma mansoni peroxidasin 0.0174 0.6062 0.6062
Loa Loa (eye worm) hypothetical protein 0.0174 0.6062 1
Onchocerca volvulus Peroxidase homolog 0.0174 0.6062 1
Loa Loa (eye worm) hypothetical protein 0.0174 0.6062 1
Schistosoma mansoni loxhd1 0.0045 0.0717 0.0717
Echinococcus granulosus peroxidasin 0.0174 0.6062 0.6062
Echinococcus granulosus RUN 0.0045 0.0717 0.0717
Brugia malayi Animal haem peroxidase family protein 0.0174 0.6062 1
Loa Loa (eye worm) hypothetical protein 0.0174 0.6062 1
Loa Loa (eye worm) hypothetical protein 0.0174 0.6062 1
Loa Loa (eye worm) hypothetical protein 0.0045 0.0717 0.1182
Schistosoma mansoni voltage-gated potassium channel 0.0039 0.0472 0.0472

Activities

Activity type Activity value Assay description Source Reference
Change (functional) = 50 % Percentage change in blood glucose concentration in male Wistar rats after 2 hr post treatment at a dose of 100 mg/Kg po. ChEMBL. 7097725
Change (functional) = 59 % Percentage change in blood glucose concentration in male Wistar rats after 4 hr post treatment at a dose of 100 mg/Kg po. ChEMBL. 7097725
Inhibition (functional) = 48.8 % Analgesic activity was measured by phenylquinone writhing test in male Swiss albino mice at a dose of 0.004 mg/Kg, sc ChEMBL. 7097725
Inhibition (functional) = 48.8 % Analgesic activity was measured by phenylquinone writhing test in male Swiss albino mice at a dose of 0.004 mg/Kg, sc ChEMBL. 7097725
P = 26.4 Partition coefficient was evaluated for the compound in octanol/water system ChEMBL. 7097725

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.

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