Detailed information for compound 1399465

Basic information

Technical information
  • TDR Targets ID: 1399465
  • Name: N'-(cyclopropanecarbonyl)-2,4-difluorobenzohy drazide
  • MW: 240.206 | Formula: C11H10F2N2O2
  • H donors: 2 H acceptors: 2 LogP: 1.37 Rotable bonds: 5
    Rule of 5 violations (Lipinski): 1
  • SMILES: O=C(C1CC1)NNC(=O)c1ccc(cc1F)F
  • InChi: 1S/C11H10F2N2O2/c12-7-3-4-8(9(13)5-7)11(17)15-14-10(16)6-1-2-6/h3-6H,1-2H2,(H,14,16)(H,15,17)
  • InChiKey: IAQAKBYCFVJOAZ-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

  • N'-(cyclopropanecarbonyl)-2,4-difluoro-benzohydrazide
  • N'-(cyclopropyl-oxomethyl)-2,4-difluorobenzohydrazide
  • N'-cyclopropylcarbonyl-2,4-difluoro-benzohydrazide
  • ZINC03246321
  • T0512-2851

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Homo sapiens apolipoprotein B mRNA editing enzyme, catalytic polypeptide-like 3D Starlite/ChEMBL No references
Homo sapiens l(3)mbt-like 1 (Drosophila) Starlite/ChEMBL No references

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Schistosoma japonicum Lethal(3)malignant brain tumor-like 3 protein, putative Get druggable targets OG5_130415 All targets in OG5_130415
Schistosoma japonicum Lethal(3)malignant brain tumor-like 4 protein, putative Get druggable targets OG5_130415 All targets in OG5_130415
Echinococcus granulosus endonuclease exonuclease phosphatase Get druggable targets OG5_130415 All targets in OG5_130415
Echinococcus multilocularis endonuclease exonuclease phosphatase Get druggable targets OG5_130415 All targets in OG5_130415
Schistosoma mansoni hypothetical protein Get druggable targets OG5_130415 All targets in OG5_130415
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
Plasmodium falciparum transporter, putative 0.0169 0.2635 0.5
Toxoplasma gondii divalent metal transporter, putative 0.0169 0.2635 0.5
Loa Loa (eye worm) hypothetical protein 0.0182 0.3168 1
Plasmodium vivax metal transporter, putative 0.0169 0.2635 0.5
Echinococcus multilocularis endonuclease exonuclease phosphatase 0.0227 0.4982 1
Onchocerca volvulus 0.0182 0.3168 1
Brugia malayi hypothetical protein 0.0182 0.3168 1
Echinococcus granulosus endonuclease exonuclease phosphatase 0.0227 0.4982 1
Mycobacterium ulcerans manganese transport protein MntH 0.0169 0.2635 0.5

Activities

Activity type Activity value Assay description Source Reference
Potency (functional) = 0.3548 um PUBCHEM_BIOASSAY: qHTS Assay for the Inhibitors of L3MBTL1. (Class of assay: confirmatory) [Related pubchem assays: 485292 (Probe Development Summary for Inhibitors of L3MBTL1)] ChEMBL. No reference
Potency (functional) 11.2202 uM PUBCHEM_BIOASSAY: qHTS for Inhibitors of Vif-A3F Interactions: qHTS. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 100 uM PUBCHEM_BIOASSAY: qHTS Assay for Substrates of Mammalian Selenoprotein Thioredoxin Reductase 1 (TrxR1): qHTS. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID488771] ChEMBL. No reference

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

No literature references available for this target.

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