Detailed information for compound 1877582

Basic information

Technical information
  • TDR Targets ID: 1877582
  • Name: (E)-N-[2-((2E)-2-(1,3-benzodioxol-5-ylmethyli dene)hydrazinyl)-2-oxoethyl]-3-(2-methoxyphen yl)prop-2-enamide
  • MW: 381.382 | Formula: C20H19N3O5
  • H donors: 2 H acceptors: 2 LogP: 2.39 Rotable bonds: 9
    Rule of 5 violations (Lipinski): 1
  • SMILES: COc1ccccc1/C=C/C(=O)NCC(=O)N/N=C/c1ccc2c(c1)OCO2
  • InChi: 1S/C20H19N3O5/c1-26-16-5-3-2-4-15(16)7-9-19(24)21-12-20(25)23-22-11-14-6-8-17-18(10-14)28-13-27-17/h2-11H,12-13H2,1H3,(H,21,24)(H,23,25)/b9-7+,22-11+
  • InChiKey: BPVZHVGNNDFMGB-GOBVOVFGSA-N  


Substructure search Similarity search

Network

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Synonyms

  • N-[2-(2-(1,3-benzodioxol-5-ylmethylidene)hydrazinyl)-2-oxoethyl]-3-(2-methoxyphenyl)prop-2-enamide
  • (E)-N-[2-(2-(1,3-benzodioxol-5-ylmethylidene)hydrazinyl)-2-oxoethyl]-3-(2-methoxyphenyl)prop-2-enamide
  • (E)-N-[2-(N'-(1,3-benzodioxol-5-ylmethylene)hydrazino)-2-oxo-ethyl]-3-(2-methoxyphenyl)prop-2-enamide
  • (E)-N-[2-((N'E)-N'-(1,3-benzodioxol-5-ylmethylene)hydrazino)-2-oxo-ethyl]-3-(2-methoxyphenyl)prop-2-enamide
  • N-[2-(N'-(1,3-benzodioxol-5-ylmethylene)hydrazino)-2-oxo-ethyl]-3-(2-methoxyphenyl)prop-2-enamide
  • (E)-N-[2-(N'-(1,3-benzodioxol-5-ylmethylene)hydrazino)-2-oxoethyl]-3-(2-methoxyphenyl)prop-2-enamide
  • (E)-N-[2-((N'E)-N'-(1,3-benzodioxol-5-ylmethylene)hydrazino)-2-oxoethyl]-3-(2-methoxyphenyl)prop-2-enamide
  • N-[2-(N'-(1,3-benzodioxol-5-ylmethylene)hydrazino)-2-oxoethyl]-3-(2-methoxyphenyl)prop-2-enamide
  • N-[2-(N'-(1,3-benzodioxol-5-ylmethylene)hydrazino)-2-keto-ethyl]-3-(2-methoxyphenyl)acrylamide
  • (E)-N-[2-(N'-(1,3-benzodioxol-5-ylmethylene)hydrazino)-2-keto-ethyl]-3-(2-methoxyphenyl)acrylamide
  • (E)-N-[2-((N'E)-N'-(1,3-benzodioxol-5-ylmethylene)hydrazino)-2-keto-ethyl]-3-(2-methoxyphenyl)acrylamide
  • N-[2-(2-(1,3-benzodioxol-5-ylmethylidene)hydrazinyl)-2-oxo-ethyl]-3-(2-methoxyphenyl)prop-2-enamide
  • (E)-N-[2-(2-(1,3-benzodioxol-5-ylmethylidene)hydrazinyl)-2-oxo-ethyl]-3-(2-methoxyphenyl)prop-2-enamide
  • (E)-N-[2-((2E)-2-(1,3-benzodioxol-5-ylmethylidene)hydrazinyl)-2-oxo-ethyl]-3-(2-methoxyphenyl)prop-2-enamide
  • SMR000304654
  • STK066486
  • (2E)-N-{2-[(2E)-2-(1,3-benzodioxol-5-ylmethylene)hydrazino]-2-oxoethyl}-3-(2-methoxyphenyl)acrylamide
  • MLS000720125

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
Toxoplasma gondii proteasome subunit beta type, putative 0.0051 1 1
Plasmodium vivax proteasome subunit beta type-5, putative 0.0051 1 1
Mycobacterium leprae proteasome (beta subunit) PrcB 0.0051 1 0.5
Entamoeba histolytica proteasome subunit beta type 1, putative 0.004 0.5699 0.5699
Loa Loa (eye worm) proteasome subunit beta type 1 0.004 0.5699 0.5699
Giardia lamblia Proteasome subunit beta type 1 0.004 0.5699 0.5699
Leishmania major proteasome beta 5 subunit, putative 0.0051 1 1
Trypanosoma cruzi proteasome beta 6 subunit, putative 0.004 0.5699 0.5699
Mycobacterium ulcerans proteasome PrcB 0.0051 1 0.5
Echinococcus granulosus proteasome prosome macropain 0.0051 1 1
Loa Loa (eye worm) proteasome A-type and B-type family protein 0.0051 1 1
Trypanosoma brucei proteasome beta 6 subunit 0.004 0.5699 0.5699
Trypanosoma cruzi proteasome beta 6 subunit, putative 0.004 0.5699 0.5699
Schistosoma mansoni proteasome catalytic subunit 3 (T01 family) 0.0051 1 1
Echinococcus multilocularis proteasome (prosome, macropain) subunit, beta 0.004 0.5699 0.5699
Plasmodium falciparum proteasome subunit beta type-5 0.0051 1 1
Leishmania major proteasome beta 6 subunit, putative,20S proteasome beta 6 subunit, putative 0.004 0.5699 0.5699
Trichomonas vaginalis Family T1, proteasome beta subunit, threonine peptidase 0.0051 1 1
Trypanosoma brucei proteasome subunit beta type-5, putative 0.0051 1 1
Giardia lamblia Proteasome subunit beta type 5 precursor 0.0051 1 1
Plasmodium vivax proteasome subunit beta type-1, putative 0.004 0.5699 0.5699
Toxoplasma gondii proteasome subunit beta type 1, putative 0.004 0.5699 0.5699
Trypanosoma cruzi proteasome subunit beta type-5, putative 0.0051 1 1
Trypanosoma cruzi proteasome subunit beta type-5, putative 0.0051 1 1
Entamoeba histolytica proteasome subunit beta type 5 precursor, putative 0.0051 1 1
Echinococcus granulosus proteasome prosome macropain subunit beta 0.004 0.5699 0.5699
Schistosoma mansoni proteasome subunit beta 1 (T01 family) 0.004 0.5699 0.5699
Echinococcus multilocularis proteasome (prosome, macropain) 0.0051 1 1
Plasmodium falciparum proteasome subunit beta type-1, putative 0.004 0.5699 0.5699
Trichomonas vaginalis Family T1, proteasome beta subunit, threonine peptidase 0.004 0.5699 0.5699
Mycobacterium tuberculosis Proteasome beta subunit PrcB; assembles with alpha subunit PrcA. 0.0051 1 0.5
Brugia malayi proteasome subunit beta type 1 0.004 0.5699 0.5699

Activities

Activity type Activity value Assay description Source Reference
Potency (functional) = 28.1838 um PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of Human Jumonji Domain Containing 2E (JMJD2E). (Class of assay: confirmatory) ChEMBL. No reference
Potency (binding) = 28.1838 um PUBCHEM_BIOASSAY: qHTS Assay for Identification of Novel General Anesthetics. In this assay, a GABAergic mimetic model system, apoferritin and a profluorescent 1-aminoanthracene ligand (1-AMA), was used to construct a competitive binding assay for identification of novel general anesthetics (Class of assay: confirmatory) [Related pubchem assays: 2385 (Probe Development Summary for Identification of Novel General Anesthetics), 2323 (Validation apoferritin assay run on SigmaAldrich LOPAC1280 collection)] ChEMBL. No reference
Potency (binding) = 31.6228 um PUBCHEM_BIOASSAY: qHTS for Inhibitors of Tau Fibril Formation, Thioflavin T Binding. (Class of assay: confirmatory) [Related pubchem assays: 596 ] 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) 37.933 uM PUBCHEM_BIOASSAY: qHTS profiling assay for firefly luciferase inhibitor/activator using purified enzyme and Km concentrations of substrates (counterscreen for miR-21 project). (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID2288, AID2289, AID2598, AID411] ChEMBL. No reference
Potency (functional) = 39.8107 um PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of Bloom's syndrome helicase (BLM). (Class of assay: confirmatory) [Related pubchem assays: 593 (Fluorescein region spectral profiling screen), 2386 (Probe Development Summary for Inhibitors of Bloom's syndrome helicase (BLM)), 594 (Rhodamine region spectral profiling screen), 2364 (qHTS Validation Assay for Inhibitors of Bloom's syndrome helicase (BLM))] ChEMBL. No reference
Potency (functional) 50.1187 uM PUBCHEM_BIOASSAY: qHTS for Inhibitors of Polymerase Eta. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID588636] 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) 75.6863 uM PubChem BioAssay. qHTS Assay to Find Inhibitors of Pin1. (Class of assay: confirmatory) 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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