Detailed information for compound 719957

Basic information

Technical information
  • TDR Targets ID: 719957
  • Name: N-(2,4-dimethoxyphenyl)-4-(furan-2-carbonyl)p iperazine-1-carboxamide
  • MW: 359.376 | Formula: C18H21N3O5
  • H donors: 1 H acceptors: 2 LogP: 1.38 Rotable bonds: 7
    Rule of 5 violations (Lipinski): 1
  • SMILES: COc1cc(OC)ccc1NC(=O)N1CCN(CC1)C(=O)c1ccco1
  • InChi: 1S/C18H21N3O5/c1-24-13-5-6-14(16(12-13)25-2)19-18(23)21-9-7-20(8-10-21)17(22)15-4-3-11-26-15/h3-6,11-12H,7-10H2,1-2H3,(H,19,23)
  • InChiKey: IKTDJDVLFDWZFN-UHFFFAOYSA-N  

Network

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Synonyms

  • N-(2,4-dimethoxyphenyl)-4-(2-furyl-oxomethyl)-1-piperazinecarboxamide
  • N-(2,4-dimethoxyphenyl)-4-furan-2-ylcarbonyl-piperazine-1-carboxamide
  • ZINC02857177
  • IVK/1638385
  • Oprea1_569664

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 serine/threonine protein kinase 0.0091 1 1
Loa Loa (eye worm) hypothetical protein 0.003 0.1956 0.0919
Trichomonas vaginalis CAMK family protein kinase 0.0091 1 1
Trypanosoma cruzi polo-like protein kinase, putative 0.0091 1 1
Trichomonas vaginalis CAMK family protein kinase 0.0091 1 1
Brugia malayi Large-conductance calcium-activated potassium channel Slo-1 (KCNMA) alpha subunit. C. elegans slo-1 ortholog 0.003 0.1956 0.1956
Echinococcus granulosus serine:threonine protein kinase PLK1 0.0091 1 1
Loa Loa (eye worm) MaxiK calcium-activated potassium channel 0.003 0.1956 0.0919
Schistosoma mansoni kinase 0.0046 0.4059 0.2057
Echinococcus granulosus calcium activated potassium channel 0.0046 0.4037 0.2028
Echinococcus multilocularis calcium activated potassium channel variant 0.0043 0.3573 0.1407
Trichomonas vaginalis CAMK family protein kinase 0.0091 1 1
Brugia malayi hypothetical protein 0.0035 0.252 0.252
Schistosoma mansoni calcium-activated potassium channel 0.0046 0.3998 0.1976
Plasmodium vivax ataxin-2 like protein, putative 0.0024 0.1143 0.5
Onchocerca volvulus Serine\/threonine kinase homolog 0.0091 1 0.5
Echinococcus multilocularis potassium large conductance calcium activated 0.0046 0.3998 0.1976
Plasmodium falciparum ataxin-2 like protein, putative 0.0024 0.1143 0.5
Trypanosoma cruzi polo-like protein kinase, putative 0.0091 1 1
Toxoplasma gondii LsmAD domain-containing protein 0.0024 0.1143 0.5
Trichomonas vaginalis CAMK family protein kinase 0.0091 1 1
Trichomonas vaginalis CAMK family protein kinase 0.0091 1 1
Echinococcus granulosus calcium activated potassium channel variant 0.0043 0.3573 0.1407
Trypanosoma brucei polo-like protein kinase 0.0091 1 1
Echinococcus multilocularis calcium activated potassium channel 0.0046 0.4037 0.2028
Giardia lamblia Kinase, PLK 0.0091 1 0.5
Trichomonas vaginalis CAMK family protein kinase 0.0091 1 1
Trichomonas vaginalis CAMK family protein kinase 0.0091 1 1
Brugia malayi hypothetical protein 0.0024 0.1143 0.1143
Echinococcus granulosus potassium large conductance calcium activated 0.0046 0.3998 0.1976
Loa Loa (eye worm) PLK/PLK1 protein kinase 0.0091 1 1
Echinococcus multilocularis serine:threonine protein kinase PLK1 0.0091 1 1
Entamoeba histolytica serine/threonine protein kinase, putative 0.0091 1 1
Leishmania major protein kinase, putative,polo-like protein kinase, putative 0.0091 1 1
Plasmodium falciparum ataxin-2 like protein, putative 0.0024 0.1143 0.5
Loa Loa (eye worm) large conductance calcium-activated potassium channel alpha subunit ai 0.0043 0.3573 0.2743
Schistosoma mansoni calcium-activated potassium channel 0.0043 0.3573 0.1407

Activities

Activity type Activity value Assay description Source Reference
Potency (functional) 18.526 uM PUBCHEM_BIOASSAY: Primary qHTS for delayed death inhibitors of the malarial parasite plastid, 96 hour incubation. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID488745, AID488752, AID488774, AID504848, AID504850] ChEMBL. No reference

Phenotypes

Whole-cell/tissue/organism interactions

Species name Source Reference Is orphan
Plasmodium falciparum ChEMBL23

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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