Detailed information for compound 1552582

Basic information

Technical information
  • TDR Targets ID: 1552582
  • Name: N-[5-(4-nitrophenyl)sulfanyl-1,3-thiazol-2-yl ]acetamide
  • MW: 295.337 | Formula: C11H9N3O3S2
  • H donors: 1 H acceptors: 4 LogP: 2.69 Rotable bonds: 5
    Rule of 5 violations (Lipinski): 1
  • SMILES: CC(=O)Nc1ncc(s1)Sc1ccc(cc1)[N+](=O)[O-]
  • InChi: 1S/C11H9N3O3S2/c1-7(15)13-11-12-6-10(19-11)18-9-4-2-8(3-5-9)14(16)17/h2-6H,1H3,(H,12,13,15)
  • InChiKey: YKTLZNQOOIRKMH-UHFFFAOYSA-N  


Substructure search Similarity search

Network

Hover on a compound node to display the structore

Synonyms

  • N-[5-[4-(hydroxy-oxidoamino)phenyl]sulfanyl-1,3-thiazol-2-yl]acetamide
  • 4-[(2-acetamido-1,3-thiazol-5-yl)sulfanyl]-N-hydroxybenzeneamine oxide
  • 4-(2-acetamidothiazol-5-yl)sulfanyl-N-hydroxy-benzeneamine oxide
  • N-[5-(4-nitrophenyl)sulfanylthiazol-2-yl]acetamide
  • N-[5-[4-(hydroxy-oxido-amino)phenyl]sulfanylthiazol-2-yl]acetamide
  • 4-[(2-acetamido-5-thiazolyl)thio]-N-hydroxybenzeneamine oxide
  • N-[5-[(4-nitrophenyl)thio]-2-thiazolyl]acetamide
  • N-[5-[[4-(hydroxy-oxidoamino)phenyl]thio]-2-thiazolyl]acetamide
  • N-[5-[[4-(hydroxy-oxido-amino)phenyl]thio]thiazol-2-yl]acetamide
  • 4-[(2-acetamidothiazol-5-yl)thio]-N-hydroxy-benzeneamine oxide
  • N-[5-[(4-nitrophenyl)thio]thiazol-2-yl]acetamide
  • N-[5-[4-(hydroxy-oxido-amino)phenyl]sulfanyl-1,3-thiazol-2-yl]ethanamide
  • 4-[(2-acetamido-1,3-thiazol-5-yl)sulfanyl]-N-hydroxy-benzeneamine oxide
  • N-[5-(4-nitrophenyl)sulfanyl-1,3-thiazol-2-yl]ethanamide
  • 7254-13-9
  • NSC72988
  • NSC 72988
  • ST5443246
  • Oprea1_006623
  • AIDS-125459
  • AIDS125459
  • N-(5-((4-(Hydroxy(oxido)amino)phenyl)thio)-1,3-thiazol-2-yl)acetamide

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Homo sapiens parathyroid hormone 1 receptor Starlite/ChEMBL No references

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Schistosoma japonicum ko:K04588 secretin receptor, putative Get druggable targets OG5_139196 All targets in OG5_139196
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
Trichomonas vaginalis aldo/keto reductase, putative 0.0235 1 1
Giardia lamblia Beta tubulin 0.015 0.5168 0.5168
Echinococcus granulosus aldo keto reductase family 1 member B4 0.0235 1 1
Echinococcus multilocularis aldo keto reductase family 1, member B4 0.0235 1 1
Echinococcus multilocularis beta tubulin 0.015 0.5168 0.5168
Entamoeba histolytica alcohol dehydrogenase, putative 0.0068 0.0559 0.0559
Trichomonas vaginalis dihydrodiol dehydrogenase, putative 0.0235 1 1
Trichomonas vaginalis dihydrodiol dehydrogenase, putative 0.0235 1 1
Echinococcus granulosus beta tubulin 0.015 0.5168 0.5168
Loa Loa (eye worm) oxidoreductase 0.0235 1 1
Schistosoma mansoni tubulin subunit beta 0.015 0.5168 0.5168
Echinococcus granulosus beta tubulin 0.015 0.5168 0.5168
Brugia malayi oxidoreductase, aldo/keto reductase family protein 0.0235 1 1
Trichomonas vaginalis aldo/keto reductase, putative 0.0235 1 1
Echinococcus multilocularis aldo keto reductase 0.0235 1 1
Leishmania major aldehyde reductase, putative,oxidoreductase, putative 0.0235 1 1
Loa Loa (eye worm) BEN-1 protein 0.015 0.5168 0.5168
Leishmania major beta tubulin 0.015 0.5168 0.5168
Loa Loa (eye worm) tubulin beta-2A chain 0.015 0.5168 0.5168
Leishmania major aldo/keto reductase, putative,aldo/keto reductase family-like protein 0.0068 0.0559 0.0559
Echinococcus granulosus tubulin subunit beta 0.015 0.5168 0.5168
Trypanosoma brucei aldo/keto reductase, putative 0.0068 0.0559 0.0559
Giardia lamblia Aldose reductase 0.0235 1 1
Trichomonas vaginalis aldo/keto reductase, putative 0.0235 1 1
Schistosoma mansoni aldo-keto reductase 0.0235 1 1
Leishmania major beta tubulin 0.015 0.5168 0.5168
Echinococcus granulosus aldo keto reductase family 1 member B4 0.0235 1 1
Trichomonas vaginalis aldo-keto reductase, putative 0.0068 0.0559 0.0559
Echinococcus granulosus aldo keto reductase 0.0235 1 1
Loa Loa (eye worm) oxidoreductase 0.0235 1 1
Trichomonas vaginalis dihydrodiol dehydrogenase, putative 0.0235 1 1
Plasmodium falciparum tubulin beta chain 0.015 0.5168 1
Trypanosoma cruzi aldo/keto reductase, putative 0.0235 1 1
Trypanosoma brucei beta tubulin 0.015 0.5168 0.5168
Echinococcus multilocularis aldo keto reductase family 1, member B4 0.0235 1 1
Mycobacterium leprae Conserved hypothetical protein 0.0167 0.615 0.5922
Trypanosoma cruzi aldo-keto reductase 0.0235 1 1
Onchocerca volvulus 0.0235 1 1
Entamoeba histolytica aldose reductase, putative 0.0235 1 1
Trypanosoma brucei beta tubulin 0.015 0.5168 0.5168
Schistosoma mansoni tubulin subunit beta 0.015 0.5168 0.5168
Echinococcus granulosus Tubulin beta 2C chain 0.015 0.5168 0.5168
Trypanosoma brucei beta tubulin 0.015 0.5168 0.5168
Echinococcus granulosus aldo keto reductase family 1 member B4 0.0235 1 1
Trichomonas vaginalis aldo-keto reductase, putative 0.0068 0.0559 0.0559
Toxoplasma gondii aldo/keto reductase family oxidoreductase 0.0068 0.0559 0.0559
Echinococcus granulosus voltage gated potassium channel subunit 0.0068 0.0559 0.0559
Trichomonas vaginalis alcohol dehydrogenase, putative 0.0068 0.0559 0.0559
Toxoplasma gondii aldose reductase, putative 0.0235 1 1
Leishmania major prostaglandin f synthase, putative 0.0235 1 1
Loa Loa (eye worm) tubulin beta-4 chain 0.015 0.5168 0.5168
Echinococcus multilocularis tubulin beta 1 chain 0.015 0.5168 0.5168
Loa Loa (eye worm) glutamate-cysteine ligase modifier subunit 0.0068 0.0559 0.0559
Trypanosoma brucei prostaglandin f synthase 0.0235 1 1
Trichomonas vaginalis tubulin alpha chain, putative 0.015 0.5168 0.5168
Schistosoma mansoni potassium channel beta 0.0068 0.0559 0.0559
Toxoplasma gondii oxidoreductase, aldo/keto reductase family protein 0.0068 0.0559 0.0559
Leishmania major beta tubulin 0.015 0.5168 0.5168
Echinococcus granulosus aldo keto reductase family 1 member B4 0.0235 1 1
Echinococcus multilocularis aldo keto reductase family 1, member B4 0.0235 1 1
Loa Loa (eye worm) beta-tubulin 0.015 0.5168 0.5168
Echinococcus multilocularis aldo keto reductase family 1, member B4 0.0235 1 1
Trypanosoma cruzi aldo/keto reductase, putative 0.0068 0.0559 0.0559
Leishmania major beta tubulin 0.015 0.5168 0.5168
Entamoeba histolytica aldose reductase, putative 0.0235 1 1
Loa Loa (eye worm) pigment dispersing factor receptor c 0.006 0.011 0.011
Trypanosoma cruzi beta tubulin, putative 0.015 0.5168 0.5168
Plasmodium falciparum aldehyde reductase, putative 0.0068 0.0559 0.1082
Trichomonas vaginalis aldo-keto reductase, putative 0.0235 1 1
Leishmania major beta tubulin 0.015 0.5168 0.5168
Echinococcus granulosus Tubulin beta 2C chain 0.015 0.5168 0.5168
Plasmodium vivax aldehyde reductase, putative 0.0068 0.0559 0.1082
Brugia malayi beta-tubulin, identical 0.015 0.5168 0.5168
Leishmania major beta tubulin 0.015 0.5168 0.5168
Leishmania major beta tubulin 0.015 0.5168 0.5168
Leishmania major beta tubulin 0.015 0.5168 0.5168
Onchocerca volvulus 0.0235 1 1
Echinococcus multilocularis aldo keto reductase family 1, member B4 0.0235 1 1
Onchocerca volvulus 0.0235 1 1
Trichomonas vaginalis tubulin gamma chain, putative 0.015 0.5168 0.5168
Toxoplasma gondii beta-tubulin, putative 0.015 0.5168 0.5168
Echinococcus multilocularis voltage gated potassium channel subunit 0.0068 0.0559 0.0559
Trichomonas vaginalis aldo-keto reductase, putative 0.0235 1 1
Schistosoma mansoni tubulin subunit beta 0.015 0.5168 0.5168
Trichomonas vaginalis aldo-keto reductase, putative 0.0235 1 1
Leishmania major beta tubulin 0.015 0.5168 0.5168
Loa Loa (eye worm) oxidoreductase 0.0235 1 1
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.006 0.011 0.011
Mycobacterium leprae PROBABLE OXIDOREDUCTASE 0.0235 1 1
Loa Loa (eye worm) BEN-1 protein 0.015 0.5168 0.5168
Brugia malayi Tubulin beta-1 chain 0.015 0.5168 0.5168
Leishmania major beta tubulin 0.015 0.5168 0.5168
Schistosoma mansoni tubulin subunit beta 0.015 0.5168 0.5168
Leishmania major beta tubulin 0.015 0.5168 0.5168
Toxoplasma gondii beta-1 tubulin, putative 0.015 0.5168 0.5168
Mycobacterium ulcerans oxidoreductase 0.0235 1 1
Leishmania major beta tubulin 0.015 0.5168 0.5168
Schistosoma mansoni aldo-keto reductase 0.0235 1 1
Trichomonas vaginalis aldo-keto reductase, putative 0.0235 1 1
Echinococcus multilocularis aldo keto reductase 0.0235 1 1
Echinococcus granulosus aldo keto reductase family 1 member B4 0.0235 1 1
Loa Loa (eye worm) oxidoreductase 0.0235 1 1
Trichomonas vaginalis aldo-keto reductase, putative 0.0235 1 1
Echinococcus multilocularis aldo keto reductase family 1, member B4 0.0235 1 1
Echinococcus granulosus Tubulin beta 2C chain 0.015 0.5168 0.5168
Echinococcus multilocularis aldo keto reductase family 1, member B4 0.0235 1 1
Trichomonas vaginalis tubulin, putative 0.015 0.5168 0.5168
Trichomonas vaginalis aldo-keto reductase, putative 0.0068 0.0559 0.0559
Onchocerca volvulus 0.0235 1 1
Echinococcus granulosus tubulin beta 4A class IVa 0.015 0.5168 0.5168
Trichomonas vaginalis aldo-keto reductase, putative 0.0235 1 1
Entamoeba histolytica tubulin family protein 0.015 0.5168 0.5168
Brugia malayi Calcitonin receptor-like protein seb-1 0.006 0.011 0.011
Toxoplasma gondii aldo-keto reductase 0.0068 0.0559 0.0559
Echinococcus multilocularis Tubulin beta 2C chain 0.015 0.5168 0.5168
Loa Loa (eye worm) oxidoreductase 0.0235 1 1
Leishmania major beta tubulin 0.015 0.5168 0.5168
Entamoeba histolytica alcohol dehydrogenase, putative 0.0068 0.0559 0.0559
Loa Loa (eye worm) hypothetical protein 0.0235 1 1
Echinococcus multilocularis beta tubulin 0.015 0.5168 0.5168
Echinococcus multilocularis aldo keto reductase family 1, member B4 0.0235 1 1
Brugia malayi glutamate-cysteine ligase modifier subunit 0.0068 0.0559 0.0559
Entamoeba histolytica aldose reductase, putative 0.0235 1 1
Trichomonas vaginalis aldo-keto reductase, putative 0.0235 1 1
Leishmania major aldo-keto reductase-like protein 0.0235 1 1
Giardia lamblia Beta tubulin 0.015 0.5168 0.5168
Echinococcus granulosus aldo keto reductase 0.0235 1 1
Toxoplasma gondii beta tubulin 0.015 0.5168 0.5168
Echinococcus granulosus aldehyde reductase 0.0167 0.615 0.615
Plasmodium vivax tubulin beta chain, putative 0.015 0.5168 1
Schistosoma mansoni pol-related 0.0235 1 1
Loa Loa (eye worm) tubulin beta chain 0.015 0.5168 0.5168
Leishmania major beta tubulin 0.015 0.5168 0.5168
Trichomonas vaginalis aldo-keto reductase, putative 0.0235 1 1
Echinococcus granulosus Tubulin beta 2C chain 0.015 0.5168 0.5168
Echinococcus multilocularis aldo keto reductase family 1, member B4 0.0235 1 1
Trichomonas vaginalis aldo-keto reductase, putative 0.0235 1 1
Echinococcus multilocularis aldo keto reductase 0.0235 1 1
Loa Loa (eye worm) hypothetical protein 0.006 0.011 0.011
Echinococcus granulosus aldo keto reductase family 1 member B4 0.0235 1 1
Echinococcus multilocularis aldo keto reductase 0.0235 1 1
Brugia malayi oxidoreductase, aldo/keto reductase family protein 0.0235 1 1
Echinococcus multilocularis aldehyde reductase 0.0167 0.615 0.615
Echinococcus multilocularis Tubulin beta 2C chain 0.015 0.5168 0.5168
Mycobacterium tuberculosis Probable oxidoreductase 0.0235 1 1
Trichomonas vaginalis aldo-keto reductase, putative 0.0235 1 1
Echinococcus multilocularis Tubulin beta 2C chain 0.015 0.5168 0.5168
Onchocerca volvulus 0.0235 1 1
Echinococcus granulosus aldo keto reductase family 1 member B4 0.0235 1 1
Echinococcus granulosus hypothetical protein 0.0235 1 1
Echinococcus granulosus aldo keto reductase family 1 member B4 0.0235 1 1
Trichomonas vaginalis aldo-keto reductase, putative 0.0235 1 1
Trichomonas vaginalis tubulin beta chain, putative 0.015 0.5168 0.5168
Trichomonas vaginalis aldo-keto reductase, putative 0.0235 1 1
Trichomonas vaginalis tubulin epsilon chain, putative 0.015 0.5168 0.5168
Giardia lamblia Aldose reductase 0.0235 1 1
Echinococcus granulosus Tubulin beta 2C chain 0.015 0.5168 0.5168
Leishmania major beta tubulin 0.015 0.5168 0.5168
Schistosoma mansoni tubulin subunit beta 0.015 0.5168 0.5168
Echinococcus multilocularis aldo keto reductase family 1, member B4 0.0235 1 1
Trichomonas vaginalis conserved hypothetical protein 0.0068 0.0559 0.0559
Leishmania major beta tubulin 0.015 0.5168 0.5168
Schistosoma mansoni tubulin subunit beta 0.015 0.5168 0.5168
Brugia malayi NADH-dependent xylose reductase 0.0068 0.0559 0.0559
Echinococcus multilocularis Tubulin beta 2C chain 0.015 0.5168 0.5168
Entamoeba histolytica tubulin family protein 0.015 0.5168 0.5168
Leishmania major beta tubulin 0.015 0.5168 0.5168
Echinococcus multilocularis tubulin subunit beta 0.015 0.5168 0.5168
Brugia malayi oxidoreductase, aldo/keto reductase family protein 0.0235 1 1
Plasmodium falciparum aldo-keto reductase, putative 0.0068 0.0559 0.1082
Leishmania major beta tubulin 0.015 0.5168 0.5168
Onchocerca volvulus 0.0235 1 1
Plasmodium vivax oxidoreductase, aldo/keto reductase domain containing protein 0.0068 0.0559 0.1082
Loa Loa (eye worm) tubulin beta-1 chain 0.015 0.5168 0.5168
Trypanosoma brucei beta tubulin 0.015 0.5168 0.5168
Giardia lamblia Beta tubulin 0.015 0.5168 0.5168
Echinococcus granulosus aldo keto reductase family 1 member B4 0.0235 1 1
Trypanosoma brucei aldo-keto reductase, putative 0.0235 1 1
Echinococcus multilocularis Tubulin beta 2C chain 0.015 0.5168 0.5168
Echinococcus granulosus aldo keto reductase 0.0235 1 1
Echinococcus granulosus tubulin beta 1 chain 0.015 0.5168 0.5168
Trichomonas vaginalis tubulin epsilon chain, putative 0.015 0.5168 0.5168
Echinococcus multilocularis tubulin, beta 4A class IVa 0.015 0.5168 0.5168
Echinococcus multilocularis aldo keto reductase family 1, member B4 0.0235 1 1
Echinococcus granulosus aldo keto reductase family 1, member B4 0.0068 0.0559 0.0559
Leishmania major prostaglandin f2-alpha synthase/D-arabinose dehydrogenase 0.0235 1 1

Activities

Activity type Activity value Assay description Source Reference
Potency (functional) 0.7667 uM PubChem BioAssay. qHTS of PTHR Inhibitors: Primary Screen. (Class of assay: confirmatory) 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

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.

If you have references for this compound, please enter them in a user comment (below) or Contact us.