Detailed information for compound 1345978

Basic information

Technical information
  • TDR Targets ID: 1345978
  • Name: N-(1,3-benzodioxol-5-yl)-N'-(pyridin-3-ylmeth yl)oxamide
  • MW: 299.281 | Formula: C15H13N3O4
  • H donors: 2 H acceptors: 3 LogP: 1.05 Rotable bonds: 6
    Rule of 5 violations (Lipinski): 1
  • SMILES: O=C(C(=O)NCc1cccnc1)Nc1ccc2c(c1)OCO2
  • InChi: 1S/C15H13N3O4/c19-14(17-8-10-2-1-5-16-7-10)15(20)18-11-3-4-12-13(6-11)22-9-21-12/h1-7H,8-9H2,(H,17,19)(H,18,20)
  • InChiKey: DFIHHFHMCLICDL-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

  • N-(1,3-benzodioxol-5-yl)-N'-(3-pyridylmethyl)oxamide
  • N-(1,3-benzodioxol-5-yl)-N'-(pyridin-3-ylmethyl)ethanediamide
  • SMR000288437
  • BAS 04325634
  • N-Benzo[1,3]dioxol-5-yl-N'-pyridin-3-ylmethyl-oxalamide
  • ZINC04535159
  • MLS000706385

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Homo sapiens nuclear factor, erythroid 2-like 2 Starlite/ChEMBL No references

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 cyclin B 0.076 0.2202 0.2194
Giardia lamblia G2/mitotic-specific cyclin B 0.076 0.2202 1
Giardia lamblia Cyclin A 0.041 0.0793 0.3577
Trichomonas vaginalis cyclins, putative 0.076 0.2202 1
Entamoeba histolytica cyclin family protein 0.041 0.0793 0.3577
Echinococcus multilocularis cyclin b3 0.041 0.0793 0.0785
Schistosoma mansoni cyclins 0.041 0.0793 0.0785
Trypanosoma brucei mitotic cyclin 6 0.076 0.2202 1
Trichomonas vaginalis cyclin B, putative 0.076 0.2202 1
Echinococcus granulosus Zinc finger DBF type 0.0588 0.151 0.3096
Trichomonas vaginalis cyclins, putative 0.0448 0.0946 0.4273
Echinococcus multilocularis cyclin B 0.076 0.2202 0.2194
Echinococcus granulosus cyclins 0.041 0.0793 0.1617
Trichomonas vaginalis conserved hypothetical protein 0.0588 0.151 0.6846
Plasmodium vivax protein kinase Crk2 0.0216 0.0009 0.5
Leishmania major cyclin 0.076 0.2202 1
Toxoplasma gondii hypothetical protein 0.0311 0.0394 1
Trichomonas vaginalis cyclins, putative 0.076 0.2202 1
Echinococcus granulosus cyclins 0.041 0.0793 0.1617
Trichomonas vaginalis cyclin B3, putative 0.041 0.0793 0.3577
Echinococcus multilocularis cyclins 0.041 0.0793 0.0785
Echinococcus granulosus cyclins 0.041 0.0793 0.1617
Loa Loa (eye worm) hypothetical protein 0.0349 0.0547 0.1125
Echinococcus granulosus cyclins 0.041 0.0793 0.1617
Brugia malayi Cyclin, N-terminal domain containing protein 0.076 0.2202 0.4522
Loa Loa (eye worm) CMGC/CDK/CDK5 protein kinase 0.0216 0.0009 0.0019
Trypanosoma cruzi CYC2-like cyclin, putative 0.076 0.2202 1
Trichomonas vaginalis cyclin B, putative 0.076 0.2202 1
Leishmania major CYC2-like cyclin, putative,cyclin 6, putative 0.076 0.2202 1
Loa Loa (eye worm) hypothetical protein 0.076 0.2202 0.4532
Trichomonas vaginalis cyclin D, putative 0.041 0.0793 0.3577
Loa Loa (eye worm) CMGC/CDK/CDC2 protein kinase 0.0216 0.0009 0.0019
Echinococcus multilocularis cyclins 0.041 0.0793 0.0785
Giardia lamblia Hypothetical protein 0.041 0.0793 0.3577
Trichomonas vaginalis cyclins, putative 0.076 0.2202 1
Echinococcus multilocularis cyclins 0.041 0.0793 0.0785
Trichomonas vaginalis cyclin D, putative 0.041 0.0793 0.3577
Echinococcus multilocularis cyclins 0.041 0.0793 0.0785
Echinococcus granulosus cyclin B3 1 0.041 0.0793 0.1617
Loa Loa (eye worm) CMGC/CDK/CDC2 protein kinase 0.0216 0.0009 0.0019
Echinococcus multilocularis cyclin B3 1 0.041 0.0793 0.0785
Trichomonas vaginalis conserved hypothetical protein 0.041 0.0793 0.3577
Onchocerca volvulus 0.076 0.2202 0.5
Entamoeba histolytica cyclin family protein 0.041 0.0793 0.3577
Echinococcus granulosus cyclin b3 0.041 0.0793 0.1617
Trichomonas vaginalis cyclins, putative 0.076 0.2202 1
Echinococcus granulosus cyclins 0.041 0.0793 0.1617
Trypanosoma cruzi cyclin, putative 0.076 0.2202 1
Plasmodium falciparum cyclin 0.041 0.0793 1
Trypanosoma cruzi cyclin, putative 0.076 0.2202 1
Echinococcus multilocularis cyclins 0.041 0.0793 0.0785
Echinococcus multilocularis G2:mitotic specific cyclin B3 0.1418 0.4858 0.4853
Trichomonas vaginalis cyclin A, putative 0.076 0.2202 1
Trichomonas vaginalis cyclin B, putative 0.076 0.2202 1
Trichomonas vaginalis conserved hypothetical protein 0.0588 0.151 0.6846
Entamoeba histolytica cyclin, putative 0.041 0.0793 0.3577
Schistosoma mansoni hypothetical protein 0.2693 1 1
Trichomonas vaginalis cyclin B, putative 0.041 0.0793 0.3577
Schistosoma mansoni cyclin B3 0.1418 0.4858 0.4853
Brugia malayi Cyclin, N-terminal domain containing protein 0.076 0.2202 0.4522
Loa Loa (eye worm) hypothetical protein 0.076 0.2202 0.4532
Echinococcus granulosus G2:mitotic specific cyclin B3 0.1418 0.4858 1
Echinococcus granulosus cyclin B 0.076 0.2202 0.4522
Brugia malayi Cyclin, N-terminal domain containing protein 0.1418 0.4858 1
Loa Loa (eye worm) cyclin domain-containing protein 0.1418 0.4858 1
Trichomonas vaginalis cyclins, putative 0.041 0.0793 0.3577
Trypanosoma cruzi cyclin 6, putative 0.076 0.2202 1
Echinococcus multilocularis cyclins 0.041 0.0793 0.0785
Echinococcus multilocularis cyclins 0.041 0.0793 0.0785
Trichomonas vaginalis cyclin B, putative 0.076 0.2202 1
Entamoeba histolytica cyclin, putative 0.076 0.2202 1

Activities

Activity type Activity value Assay description Source Reference
Potency (functional) 2.3109 uM PUBCHEM_BIOASSAY: Nrf2 qHTS screen for inhibitors. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID493153, AID493163, AID504648] ChEMBL. No 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
Potency (functional) 18.526 uM PUBCHEM_BIOASSAY: Primary qHTS for delayed death inhibitors of the malarial parasite plastid, 48 hour incubation. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID488752, AID488774, AID504848, AID504850] ChEMBL. No reference
Potency (functional) 29.081 uM PUBCHEM_BIOASSAY: qHTS screen for small molecules that inhibit ELG1-dependent DNA repair in human embryonic kidney (HEK293T) cells expressing luciferase-tagged ELG1. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID493107, AID493125] ChEMBL. No reference
Potency (functional) 35.4813 uM PUBCHEM_BIOASSAY: qHTS for Inhibitors of binding or entry into cells for Lassa Virus. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID463114, AID540249] ChEMBL. No reference
Potency (functional) 56.2341 uM PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of Histone Lysine Methyltransferase G9a. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID504404] ChEMBL. No reference
Potency (functional) 89.1251 uM PUBCHEM_BIOASSAY: Inhibitors of the vitamin D receptor (VDR): qHTS. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID504855] ChEMBL. No reference
Potency (functional) 89.1251 uM PUBCHEM_BIOASSAY: qHTS for Inhibitors of Polymerase Iota. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID588623] 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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