Detailed information for compound 16427

Basic information

Technical information
  • TDR Targets ID: 16427
  • Name: 3-chloro-N-[(1-ethylpyrrolidin-2-yl)methyl]-2 -hydroxy-5,6-dimethoxybenzamide
  • MW: 342.818 | Formula: C16H23ClN2O4
  • H donors: 2 H acceptors: 2 LogP: 2.92 Rotable bonds: 7
    Rule of 5 violations (Lipinski): 1
  • SMILES: CCN1CCCC1CNC(=O)c1c(O)c(Cl)cc(c1OC)OC
  • InChi: 1S/C16H23ClN2O4/c1-4-19-7-5-6-10(19)9-18-16(21)13-14(20)11(17)8-12(22-2)15(13)23-3/h8,10,20H,4-7,9H2,1-3H3,(H,18,21)
  • InChiKey: DVNOGBDQNYJXJS-UHFFFAOYSA-N  

Network

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Synonyms

  • 3-chloro-N-[(1-ethylpyrrolidin-2-yl)methyl]-2-hydroxy-5,6-dimethoxy-benzamide
  • 3-chloro-N-[(1-ethyl-2-pyrrolidinyl)methyl]-2-hydroxy-5,6-dimethoxybenzamide

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
Schistosoma mansoni L-lactate dehydrogenase 0.054 0.5274 0.5274
Echinococcus granulosus lactate dehydrogenase a 0.0919 1 1
Plasmodium falciparum malate dehydrogenase 0.0919 1 1
Echinococcus granulosus voltage gated potassium channel 0.0172 0.068 0.068
Trichomonas vaginalis malate dehydrogenase, putative 0.054 0.5274 0.6722
Trichomonas vaginalis malate dehydrogenase, putative 0.0746 0.7845 1
Leishmania major malate dehydrogenase 0.069 0.7144 0.3956
Echinococcus granulosus lactate dehydrogenase a 0.0919 1 1
Echinococcus multilocularis cytosolic malate dehydrogenase 0.0746 0.7845 0.7845
Wolbachia endosymbiont of Brugia malayi malate dehydrogenase 0.0919 1 0.5
Echinococcus granulosus malate dehydrogenase 0.069 0.7144 0.7144
Trypanosoma cruzi malate dehydrogenase, putative 0.069 0.7144 0.7271
Schistosoma mansoni L-lactate dehydrogenase 0.0919 1 1
Trichomonas vaginalis malate and lactate dehydrogenase, putative 0.0746 0.7845 1
Schistosoma mansoni malate dehydrogenase 0.0746 0.7845 0.7845
Mycobacterium ulcerans malate dehydrogenase 0.0746 0.7845 0.5
Schistosoma mansoni voltage-gated potassium channel 0.0648 0.6614 0.6614
Schistosoma mansoni voltage-gated potassium channel 0.0648 0.6614 0.6614
Trichomonas vaginalis malate dehydrogenase, putative 0.0746 0.7845 1
Trichomonas vaginalis malate dehydrogenase, putative 0.0746 0.7845 1
Leishmania major glycosomal malate dehydrogenase 0.069 0.7144 0.3956
Echinococcus multilocularis malate dehydrogenase 0.069 0.7144 0.7144
Loa Loa (eye worm) malate dehydrogenase 0.069 0.7144 0.7144
Trichomonas vaginalis voltage and ligand gated potassium channel, putative 0.0554 0.5448 0.6944
Mycobacterium leprae PROBABLE MALATE DEHYDROGENASE MDH 0.0746 0.7845 0.5
Loa Loa (eye worm) hypothetical protein 0.0919 1 1
Brugia malayi Probable malate dehydrogenase, mitochondrial precursor 0.069 0.7144 0.7144
Trichomonas vaginalis malate dehydrogenase, putative 0.0746 0.7845 1
Echinococcus multilocularis potassium voltage gated channel subfamily H 0.0172 0.068 0.068
Leishmania major cytosolic malate dehydrogenase 0.0746 0.7845 0.5441
Schistosoma mansoni voltage-gated potassium channel 0.0172 0.068 0.068
Brugia malayi Voltage-gated potassium channel, EAG (KCNH1)-related. C. elegans egl-2 ortholog 0.0172 0.068 0.068
Leishmania major malate dehydrogenase, putative 0.0919 1 1
Plasmodium vivax lactate dehydrogenase 0.0919 1 1
Trypanosoma brucei mitochondrial malate dehydrogenase 0.069 0.7144 0.7271
Loa Loa (eye worm) hypothetical protein 0.0172 0.068 0.068
Mycobacterium tuberculosis Probable malate dehydrogenase Mdh 0.0746 0.7845 0.5
Trichomonas vaginalis malate and lactate dehydrogenase, putative 0.0746 0.7845 1
Giardia lamblia Malate dehydrogenase 0.0746 0.7845 0.5
Trypanosoma cruzi glycosomal malate dehydrogenase, putative 0.069 0.7144 0.7271
Echinococcus multilocularis lactate dehydrogenase a 0.0919 1 1
Chlamydia trachomatis malate dehydrogenase 0.0746 0.7845 0.5
Schistosoma mansoni voltage-gated potassium channel 0.0172 0.068 0.068
Trichomonas vaginalis malate dehydrogenase, putative 0.0746 0.7845 1
Schistosoma mansoni malate dehydrogenase 0.069 0.7144 0.7144
Echinococcus multilocularis L lactate dehydrogenase B chain 0.0919 1 1
Brugia malayi Voltage-gated potassium channel, HERG (KCNH2)-related. C. elegans unc-103 ortholog 0.0593 0.5935 0.5935
Loa Loa (eye worm) malate dehydrogenase 0.0746 0.7845 0.7845
Echinococcus multilocularis potassium voltage gated channel subfamily H 0.0593 0.5935 0.5935
Schistosoma mansoni malate dehydrogenase 0.0746 0.7845 0.7845
Trypanosoma cruzi cytosolic malate dehydrogenase, putative 0.0746 0.7845 1
Toxoplasma gondii lactate dehydrogenase LDH1 0.0919 1 0.5
Echinococcus granulosus lactate dehydrogenase protein 0.0919 1 1
Trichomonas vaginalis malate dehydrogenase, putative 0.0469 0.439 0.5596
Trichomonas vaginalis malate dehydrogenase, putative 0.0746 0.7845 1
Echinococcus granulosus potassium voltage gated channel subfamily H 0.0593 0.5935 0.5935
Plasmodium vivax malate dehydrogenase, putative 0.0919 1 1
Toxoplasma gondii malate dehydrogenase MDH 0.0919 1 0.5
Echinococcus granulosus cytosolic malate dehydrogenase 0.0746 0.7845 0.7845
Echinococcus multilocularis cytosolic malate dehydrogenase 0.0746 0.7845 0.7845
Trypanosoma brucei glycosomal malate dehydrogenase 0.069 0.7144 0.7271
Brugia malayi Malate dehydrogenase, cytoplasmic 0.0746 0.7845 0.7845
Trichomonas vaginalis voltage and ligand gated potassium channel, putative 0.0554 0.5448 0.6944
Loa Loa (eye worm) voltage and ligand gated potassium channel 0.0593 0.5935 0.5935
Plasmodium falciparum L-lactate dehydrogenase 0.0919 1 1
Trypanosoma cruzi cytosolic malate dehydrogenase, putative 0.0746 0.7845 1
Trichomonas vaginalis malate dehydrogenase, putative 0.0263 0.1819 0.2318
Echinococcus multilocularis malate dehydrogenase 0.069 0.7144 0.7144
Echinococcus multilocularis lactate dehydrogenase protein 0.0919 1 1
Schistosoma mansoni malate dehydrogenase 0.0919 1 1
Echinococcus granulosus L lactate dehydrogenase 0.0379 0.3262 0.3262
Trichomonas vaginalis malate and lactate dehydrogenase, putative 0.0746 0.7845 1
Echinococcus multilocularis L lactate dehydrogenase 0.0379 0.3262 0.3262
Trichomonas vaginalis malate dehydrogenase, putative 0.0746 0.7845 1
Echinococcus multilocularis voltage gated potassium channel 0.0172 0.068 0.068
Trichomonas vaginalis malate dehydrogenase, putative 0.0746 0.7845 1
Echinococcus multilocularis lactate dehydrogenase a 0.0919 1 1
Trichomonas vaginalis malate dehydrogenase, putative 0.0746 0.7845 1
Echinococcus granulosus malate dehydrogenase 0.069 0.7144 0.7144
Entamoeba histolytica malate dehydrogenase, putative 0.0919 1 1
Echinococcus granulosus cytosolic malate dehydrogenase 0.0746 0.7845 0.7845
Echinococcus multilocularis lactate dehydrogenase a 0.0919 1 1
Echinococcus granulosus L lactate dehydrogenase B chain 0.0919 1 1
Trypanosoma cruzi glycosomal malate dehydrogenase, putative 0.069 0.7144 0.7271
Trypanosoma brucei cytosolic malate dehydrogenase 0.0746 0.7845 1
Leishmania major mitochondrial malate dehydrogenase 0.069 0.7144 0.3956
Loa Loa (eye worm) hypothetical protein 0.0515 0.4958 0.4958
Trypanosoma cruzi mitochondrial malate dehydrogenase, putative 0.069 0.7144 0.7271
Trichomonas vaginalis malate dehydrogenase, putative 0.0746 0.7845 1
Trichomonas vaginalis malate and lactate dehydrogenase, putative 0.0746 0.7845 1
Trichomonas vaginalis malate dehydrogenase, putative 0.0746 0.7845 1
Toxoplasma gondii lactate dehydrogenase LDH2 0.0919 1 0.5
Echinococcus granulosus potassium voltage gated channel subfamily H 0.0172 0.068 0.068

Activities

Activity type Activity value Assay description Source Reference
IC50 (binding) = 1.7 nM In vitro ability to inhibit the binding of [3H]-spiperone to dopamine receptor D2 in rat striatal membranes. ChEMBL. 1969484
Ki (binding) = 0.087 nM Inhibition of [3H]-spiperone binding to rat striatal membrane Dopamine receptor D2 ChEMBL. 1969484

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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