Detailed information for compound 1519019

Basic information

Technical information
  • TDR Targets ID: 1519019
  • Name: Oprea1_562367
  • MW: 205.236 | Formula: C9H7N3OS
  • H donors: 1 H acceptors: 3 LogP: 0.75 Rotable bonds: 2
    Rule of 5 violations (Lipinski): 1
  • SMILES: NC(=O)c1csc(n1)c1ccncc1
  • InChi: 1S/C9H7N3OS/c10-8(13)7-5-14-9(12-7)6-1-3-11-4-2-6/h1-5H,(H2,10,13)
  • InChiKey: KWUBEXCPIQGXBL-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

  • Maybridge3_004496
  • IDI1_015883
  • 2-(4-pyridinyl)-1,3-thiazole-4-carboxamide
  • MLS000546257
  • SMR000169427
  • 1G-364S
  • SR-01000640921-1
  • ZINC00172643

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Rattus norvegicus Dual specificity tyrosine-phosphorylation-regulated kinase 1A Starlite/ChEMBL No references
Homo sapiens nuclear factor, erythroid 2-like 2 Starlite/ChEMBL No references

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Entamoeba histolytica protein kinase domain containing protein Get druggable targets OG5_127901 All targets in OG5_127901
Echinococcus granulosus dual specificity Get druggable targets OG5_127901 All targets in OG5_127901
Schistosoma japonicum Serine/threonine-protein kinase minibrain, putative Get druggable targets OG5_127901 All targets in OG5_127901
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_127901 All targets in OG5_127901
Entamoeba histolytica protein kinase, putative Get druggable targets OG5_127901 All targets in OG5_127901
Loa Loa (eye worm) CMGC/DYRK/DYRK1 protein kinase Get druggable targets OG5_127901 All targets in OG5_127901
Echinococcus multilocularis dual specificity Get druggable targets OG5_127901 All targets in OG5_127901
Brugia malayi Protein kinase domain containing protein Get druggable targets OG5_127901 All targets in OG5_127901
Trypanosoma congolense serine/threonine-protein kinase, putative Get druggable targets OG5_127901 All targets in OG5_127901
Trypanosoma cruzi CMGC/DYRK protein kinase, putative Get druggable targets OG5_127901 All targets in OG5_127901
Leishmania major serine/threonine-protein kinase, putative,protein kinase, putative Get druggable targets OG5_127901 All targets in OG5_127901
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_127901 All targets in OG5_127901
Schistosoma mansoni serine/threonine protein kinase Get druggable targets OG5_127901 All targets in OG5_127901
Trypanosoma cruzi CMGC/DYRK protein kinase, putative Get druggable targets OG5_127901 All targets in OG5_127901
Trypanosoma brucei CMGC/DYRK protein kinase, putative Get druggable targets OG5_127901 All targets in OG5_127901
Leishmania donovani serine/threonine-protein kinase, putative Get druggable targets OG5_127901 All targets in OG5_127901
Entamoeba histolytica protein kinase, putative Get druggable targets OG5_127901 All targets in OG5_127901
Leishmania infantum serine/threonine-protein kinase, putative,protein kinase, putative Get druggable targets OG5_127901 All targets in OG5_127901
Entamoeba histolytica hypothetical protein Get druggable targets OG5_127901 All targets in OG5_127901
Leishmania braziliensis serine/threonine-protein kinase, putative,protein kinase, putative Get druggable targets OG5_127901 All targets in OG5_127901
Schistosoma japonicum expressed protein Get druggable targets OG5_127901 All targets in OG5_127901
Trypanosoma congolense serine/threonine-protein kinase, putative Get druggable targets OG5_127901 All targets in OG5_127901
Trypanosoma brucei gambiense serine/threonine-protein kinase, putative,protein kinase, putative Get druggable targets OG5_127901 All targets in OG5_127901
Leishmania mexicana serine/threonine-protein kinase, putative,protein kinase, putative Get druggable targets OG5_127901 All targets in OG5_127901
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
Loa Loa (eye worm) hypothetical protein 0.1448 0.2966 0.9364
Brugia malayi GTP-binding regulatory protein Gs alpha-S chain, putative 0.0045 0.0002 0.0008
Schistosoma mansoni Protoporphyrinogen oxidase chloroplast/mitochondrial precursor 0.0549 0.1069 0.3603
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0045 0.0002 0.0008
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0045 0.0002 0.0008
Loa Loa (eye worm) hypothetical protein 0.0549 0.1069 0.3369
Echinococcus granulosus neuropeptide s receptor 0.0458 0.0876 0.2952
Plasmodium vivax hypothetical protein, conserved 0.0549 0.1069 0.5
Plasmodium falciparum lysine-specific histone demethylase 1, putative 0.0549 0.1069 0.5
Schistosoma mansoni hypothetical protein 0.0165 0.0257 0.0867
Leishmania major UDP-galactopyranose mutase 0.0549 0.1069 1
Plasmodium vivax lysine-specific histone demethylase 1, putative 0.0549 0.1069 0.5
Onchocerca volvulus 0.1543 0.3168 0.5
Loa Loa (eye worm) hypothetical protein 0.0645 0.127 0.4005
Mycobacterium tuberculosis Possible oxidoreductase 0.0549 0.1069 0.0812
Loa Loa (eye worm) hypothetical protein 0.0095 0.011 0.0339
Echinococcus granulosus neuropeptide receptor A26 0.0458 0.0876 0.2952
Loa Loa (eye worm) hypothetical protein 0.0549 0.1069 0.3369
Brugia malayi hypothetical protein 0.0549 0.1069 0.3374
Echinococcus multilocularis conserved hypothetical protein 0.0676 0.1337 0.4507
Toxoplasma gondii histone lysine-specific demethylase LSD1/BHC110/KDMA1A 0.0549 0.1069 1
Entamoeba histolytica hypothetical protein 0.0108 0.0136 1
Plasmodium falciparum conserved Plasmodium protein, unknown function 0.0549 0.1069 0.5
Echinococcus granulosus lysine specific histone demethylase 1A 0.1448 0.2966 1
Giardia lamblia hypothetical protein 0.0095 0.011 0.5
Plasmodium falciparum protoporphyrinogen oxidase 0.0549 0.1069 0.5
Entamoeba histolytica SWIRM domain protein 0.0095 0.011 0.8073
Schistosoma mansoni serine/threonine protein kinase 0.0108 0.0136 0.0458
Echinococcus multilocularis neuropeptide s receptor 0.0458 0.0876 0.2952
Chlamydia trachomatis protoporphyrinogen oxidase 0.0549 0.1069 0.5
Echinococcus multilocularis SWI:SNF complex subunit SMARCC2 0.0095 0.011 0.037
Echinococcus multilocularis dual specificity 0.0108 0.0136 0.0458
Loa Loa (eye worm) hypothetical protein 0.1543 0.3168 1
Echinococcus granulosus hypothetical protein 0.0686 0.1357 0.4574
Loa Loa (eye worm) hypothetical protein 0.0107 0.0135 0.0418
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0045 0.0002 0.0008
Trypanosoma cruzi UDP-galactopyranose mutase 0.0549 0.1069 1
Toxoplasma gondii histone lysine-specific demethylase 0.0549 0.1069 1
Brugia malayi Serotonin receptor 0.046 0.088 0.2779
Echinococcus granulosus dual specificity 0.0108 0.0136 0.0458
Schistosoma mansoni amine oxidase 0.0549 0.1069 0.3603
Echinococcus granulosus geminin 0.0165 0.0257 0.0867
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0045 0.0002 0.0008
Trichomonas vaginalis conserved hypothetical protein 0.0095 0.011 0.5
Echinococcus multilocularis protoporphyrinogen oxidase 0.0549 0.1069 0.3603
Mycobacterium leprae PROBABLE PROTOPORPHYRINOGEN OXIDASE HEMY (PROTOPORPHYRINOGEN-IX OXIDASE) (PROTOPORPHYRINOGENASE) (PPO) 0.0549 0.1069 0.5
Brugia malayi Protein kinase domain containing protein 0.0108 0.0136 0.0429
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0045 0.0002 0.0008
Mycobacterium ulcerans flavin-containing monoamine oxidase AofH 0.4778 1 1
Mycobacterium tuberculosis Conserved hypothetical protein 0.0549 0.1069 0.0812
Entamoeba histolytica protein kinase, putative 0.0108 0.0136 1
Mycobacterium tuberculosis Probable flavin-containing monoamine oxidase AofH (amine oxidase) (MAO) 0.4228 0.8839 1
Trypanosoma brucei CMGC/DYRK protein kinase, putative 0.0108 0.0136 0.5
Echinococcus granulosus SWI:SNF complex subunit SMARCC2 0.0095 0.011 0.037
Entamoeba histolytica SWIRM domain protein 0.0095 0.011 0.8073
Entamoeba histolytica protein kinase domain containing protein 0.0108 0.0136 1
Entamoeba histolytica protein kinase, putative 0.0108 0.0136 1
Echinococcus multilocularis geminin 0.0165 0.0257 0.0867
Loa Loa (eye worm) CMGC/DYRK/DYRK1 protein kinase 0.0108 0.0136 0.0421
Plasmodium vivax protoporphyrinogen oxidase, putative 0.0549 0.1069 0.5
Brugia malayi SWIRM domain containing protein 0.1543 0.3168 1
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0045 0.0002 0.0008
Brugia malayi SWIRM domain containing protein 0.0095 0.011 0.0346
Entamoeba histolytica hypothetical protein 0.0095 0.011 0.8073
Plasmodium vivax hypothetical protein, conserved 0.0549 0.1069 0.5
Trichomonas vaginalis conserved hypothetical protein 0.0095 0.011 0.5
Loa Loa (eye worm) hypothetical protein 0.1448 0.2966 0.9364
Brugia malayi amine oxidase, flavin-containing family protein 0.0645 0.127 0.401
Echinococcus granulosus lysine specific histone demethylase 1A 0.0549 0.1069 0.3603
Schistosoma mansoni Lysine-specific histone demethylase 1 0.1448 0.2966 1
Echinococcus multilocularis neuropeptide receptor A26 0.0458 0.0876 0.2952
Loa Loa (eye worm) hypothetical protein 0.0107 0.0135 0.0418
Echinococcus multilocularis 0.0549 0.1069 0.3603
Trypanosoma cruzi UDP-galactopyranose mutase 0.0549 0.1069 1
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0045 0.0002 0.0008
Schistosoma mansoni SWI/SNF complex-related 0.0095 0.011 0.037
Echinococcus multilocularis lysine specific histone demethylase 1A 0.1448 0.2966 1
Schistosoma mansoni hypothetical protein 0.0165 0.0257 0.0867
Schistosoma mansoni amine oxidase 0.0549 0.1069 0.3603

Activities

Activity type Activity value Assay description Source Reference
AC50 (binding) = 2.669 uM PUBCHEM_BIOASSAY: MLPCN Dyrk1A Kinase Measured in Biochemical System Using Plate Reader - 2124-01_Inhibitor_Dose_CherryPick_Activity. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID504442] ChEMBL. No reference
Potency (functional) 6.5131 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) 44.6684 uM PubChem BioAssay. qHTS of PTHR Inhibitors: Primary Screen. (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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