Detailed information for compound 1446834

Basic information

Technical information
  • TDR Targets ID: 1446834
  • Name: N'-[3-[(5Z)-4-oxo-5-(phenylmethylidene)-2-sul fanylidene-1,3-thiazolidin-3-yl]propanoyl]pyr idine-4-carbohydrazide
  • MW: 412.485 | Formula: C19H16N4O3S2
  • H donors: 2 H acceptors: 4 LogP: 2.32 Rotable bonds: 8
    Rule of 5 violations (Lipinski): 1
  • SMILES: O=C(NNC(=O)c1ccncc1)CCN1C(=S)S/C(=C\c2ccccc2)/C1=O
  • InChi: 1S/C19H16N4O3S2/c24-16(21-22-17(25)14-6-9-20-10-7-14)8-11-23-18(26)15(28-19(23)27)12-13-4-2-1-3-5-13/h1-7,9-10,12H,8,11H2,(H,21,24)(H,22,25)/b15-12-
  • InChiKey: IAMGCACNTGZQSJ-QINSGFPZSA-N  


Substructure search Similarity search

Network

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Synonyms

  • N'-[3-[4-oxo-5-(phenylmethylidene)-2-sulfanylidene-1,3-thiazolidin-3-yl]propanoyl]pyridine-4-carbohydrazide
  • N'-[3-[(5Z)-4-oxo-5-(phenylmethylene)-2-thioxo-thiazolidin-3-yl]propanoyl]pyridine-4-carbohydrazide
  • N'-[3-[4-oxo-5-(phenylmethylene)-2-thioxo-thiazolidin-3-yl]propanoyl]pyridine-4-carbohydrazide
  • N'-[1-oxo-3-[(5Z)-4-oxo-5-(phenylmethylene)-2-thioxo-3-thiazolidinyl]propyl]-4-pyridinecarbohydrazide
  • N'-[1-oxo-3-[4-oxo-5-(phenylmethylene)-2-thioxo-3-thiazolidinyl]propyl]-4-pyridinecarbohydrazide
  • N'-[3-[(5Z)-5-(benzylidene)-4-keto-2-thioxo-thiazolidin-3-yl]propanoyl]isonicotinohydrazide
  • N'-[3-[5-(benzylidene)-4-keto-2-thioxo-thiazolidin-3-yl]propanoyl]isonicotinohydrazide
  • ZINC01235808
  • MLS000711080
  • SMR000280847
  • BAS 00534458

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
Echinococcus multilocularis transitional endoplasmic reticulum atpase 0.1555 1 1
Loa Loa (eye worm) hypothetical protein 0.0912 0.5238 1
Plasmodium falciparum cell division cycle protein 48 homologue, putative 0.1475 0.9407 0.5
Schistosoma mansoni cell division control protein 48 aaa family protein 0.1555 1 1
Entamoeba histolytica cdc48-like protein, putative 0.1475 0.9407 0.5
Giardia lamblia AAA family ATPase 0.0931 0.5376 0.5
Schistosoma mansoni cell division control protein 48 aaa family protein 0.1475 0.9407 0.9407
Leishmania major Transitional endoplasmic reticulum ATPase, putative,valosin-containing protein homolog 0.1475 0.9407 0.5
Plasmodium vivax cell division cycle protein 48 homologue, putative 0.1475 0.9407 1
Mycobacterium tuberculosis Putative conserved ATPase 0.0931 0.5376 0.5
Brugia malayi vesicle-fusing ATPase 0.0912 0.5238 1
Toxoplasma gondii cell division protein CDC48CY 0.1555 1 1
Toxoplasma gondii cell division protein CDC48AP 0.0931 0.5376 0.0000097958
Entamoeba histolytica transitional endoplasmic reticulum ATPase, putative 0.1475 0.9407 0.5
Echinococcus multilocularis transitional endoplasmic reticulum atpase 0.0643 0.3247 0.3247
Schistosoma mansoni cell division control protein 48 aaa family protein 0.0643 0.3247 0.3247
Trypanosoma cruzi Valosin-containing protein, putative 0.1475 0.9407 0.5
Schistosoma mansoni microtubule-associated protein tau 0.0833 0.4654 0.4654
Mycobacterium ulcerans ATPase 0.0931 0.5376 0.5
Brugia malayi valosin containing protein 0.0912 0.5238 1
Onchocerca volvulus Transitional endoplasmic reticulum ATPase homolog 0.1555 1 0.5
Trypanosoma brucei Valosin-containing protein 0.1475 0.9407 0.5
Echinococcus granulosus microtubule associated protein 2 0.0833 0.4654 0.4654
Trichomonas vaginalis spermatogenesis associated factor, putative 0.1555 1 1
Echinococcus multilocularis microtubule associated protein 2 0.0833 0.4654 0.4654
Loa Loa (eye worm) vesicle-fusing ATPase 0.0912 0.5238 1

Activities

Activity type Activity value Assay description Source Reference
Potency (functional) 28.1838 uM PubChem BioAssay. qHTS for Activators of Integrin-Mediated Alleviation for Muscular Dystrophy. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) = 31.6228 um PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors Targeting the Menin-MLL Interaction in MLL Related Leukemias: Competition With Texas Red Labeled MLL-derived Mutant Peptide. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 39.8107 uM PubChem BioAssay. qHTS for Antagonists of gsp, the Etiologic Mutation Responsible for Fibrous Dysplasia/McCune-Albright Syndrome: qHTS. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) = 44.6684 um PUBCHEM_BIOASSAY: qHTS for Inhibitors of Tau Fibril Formation, Fluorescence Polarization. (Class of assay: confirmatory) [Related pubchem assays: 596 ] ChEMBL. No reference
Potency (functional) 50.1187 uM PubChem BioAssay. qHTS for Agonist of gsp, the Etiologic Mutation Responsible for Fibrous Dysplasia/McCune-Albright Syndrome: qHTS. (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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