Detailed information for compound 870495

Basic information

Technical information
  • TDR Targets ID: 870495
  • Name: N-pyrimidin-2-ylthiophene-2-carboxamide
  • MW: 205.236 | Formula: C9H7N3OS
  • H donors: 1 H acceptors: 3 LogP: 1.38 Rotable bonds: 3
    Rule of 5 violations (Lipinski): 1
  • SMILES: O=C(c1cccs1)Nc1ncccn1
  • InChi: 1S/C9H7N3OS/c13-8(7-3-1-6-14-7)12-9-10-4-2-5-11-9/h1-6H,(H,10,11,12,13)
  • InChiKey: ZYJMBPQNQQGWLU-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

  • N-(2-pyrimidinyl)-2-thiophenecarboxamide
  • ZINC00037557
  • AE-848/09343040
  • MLS000078564
  • ST052811
  • SMR000034093

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Homo sapiens ataxin 2 Starlite/ChEMBL No references
Homo sapiens GNAS complex locus Starlite/ChEMBL No references

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Schistosoma japonicum ko:K04632 guanine nucleotide binding protein (G protein), alpha stimulating, putative Get druggable targets OG5_131088 All targets in OG5_131088
Loa Loa (eye worm) GTP-binding regulatory protein Gs alpha-S chain Get druggable targets OG5_131088 All targets in OG5_131088
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit Get druggable targets OG5_131088 All targets in OG5_131088
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) Get druggable targets OG5_131088 All targets in OG5_131088
Echinococcus granulosus guanine nucleotide binding protein Gs subunit Get druggable targets OG5_131088 All targets in OG5_131088
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit Get druggable targets OG5_131088 All targets in OG5_131088
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) Get druggable targets OG5_131088 All targets in OG5_131088
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) Get druggable targets OG5_131088 All targets in OG5_131088
Brugia malayi GTP-binding regulatory protein Gs alpha-S chain, putative Get druggable targets OG5_131088 All targets in OG5_131088
Echinococcus granulosus guanine nucleotide binding protein Gs subunit Get druggable targets OG5_131088 All targets in OG5_131088
By sequence similarity to non orthologous known druggable targets
Species Potential target Known druggable target Length Alignment span Identity
Schistosoma mansoni GTP-binding protein alpha subunit gna GNAS complex locus 394 aa 450 aa 28.7 %
Obtained from network model

Ranking Plot

Putative Targets List

Species Potential target Raw Global Species
Plasmodium vivax ataxin-2 like protein, putative 0.003 0.0076 1
Entamoeba histolytica protein kinase domain containing protein 0.0064 0.0313 1
Loa Loa (eye worm) GTP-binding regulatory protein Gs alpha-S chain 0.0055 0.0251 0.024
Loa Loa (eye worm) hypothetical protein 0.0296 0.1949 0.194
Trichomonas vaginalis CMGC family protein kinase 0.1439 1 1
Toxoplasma gondii LsmAD domain-containing protein 0.003 0.0076 0.5
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0055 0.0251 0.024
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0055 0.0251 0.024
Brugia malayi cyclin-dependent kinase 7 homolog 0.0021 0.0011 0.0011
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0055 0.0251 0.024
Loa Loa (eye worm) hypothetical protein 0.003 0.0076 0.0066
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0055 0.0251 0.024
Plasmodium falciparum ataxin-2 like protein, putative 0.003 0.0076 1
Loa Loa (eye worm) CDC7 protein kinase 0.1439 1 1
Onchocerca volvulus 0.1439 1 0.5
Plasmodium falciparum ataxin-2 like protein, putative 0.003 0.0076 1
Leishmania major hypothetical protein, conserved 0.003 0.0076 1
Echinococcus multilocularis CDC7 cell division cycle 7 0.1439 1 1
Trichomonas vaginalis CMGC family protein kinase 0.1439 1 1
Trichomonas vaginalis CMGC family protein kinase 0.1439 1 1
Schistosoma mansoni serine/threonine protein kinase 0.1439 1 1
Brugia malayi GTP-binding regulatory protein Gs alpha-S chain, putative 0.0055 0.0251 0.0251
Brugia malayi Cell division protein kinase 2 0.0021 0.0011 0.0011
Schistosoma mansoni kinase 0.0064 0.0313 0.0303
Echinococcus granulosus cyclin dependent kinase 9 0.0064 0.0313 0.0303
Echinococcus granulosus CDC7 cell division cycle 7 0.1439 1 1
Echinococcus multilocularis cyclin dependent kinase 9 0.0073 0.0378 0.0367
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0055 0.0251 0.024
Loa Loa (eye worm) CMGC/CDK/CDK9 protein kinase 0.0064 0.0313 0.0303
Giardia lamblia Kinase, CDC7 0.1439 1 1
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0055 0.0251 0.024
Trypanosoma cruzi PAB1-binding protein , putative 0.003 0.0076 1
Brugia malayi cyclin-dependent kinase 9 0.0064 0.0313 0.0313
Brugia malayi hypothetical protein 0.003 0.0076 0.0076
Echinococcus granulosus cyclin dependent kinase 9 0.0073 0.0378 0.0367
Trypanosoma cruzi PAB1-binding protein , putative 0.003 0.0076 1
Trypanosoma brucei PAB1-binding protein , putative 0.003 0.0076 1
Brugia malayi Protein kinase domain containing protein 0.0021 0.0011 0.0011
Echinococcus multilocularis cyclin dependent kinase 9 0.0064 0.0313 0.0303
Schistosoma mansoni serine/threonine protein kinase 0.0064 0.0313 0.0303
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0055 0.0251 0.024
Onchocerca volvulus 0.1439 1 0.5

Activities

Activity type Activity value Assay description Source Reference
Potency (functional) 3.5481 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
Potency (functional) 8.9125 uM PubChem BioAssay. qHTS for Inhibitors of ATXN expression. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 13.1154 uM PUBCHEM_BIOASSAY: Primary qHTS for delayed death inhibitors of the malarial parasite plastid, 48 hour incubation. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID488752, AID488774, AID504848, AID504850] ChEMBL. No reference
Potency (functional) = 22.3872 um PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of Aldehyde Dehydrogenase 1 (ALDH1A1). (Class of assay: confirmatory) [Related pubchem assays: 1030 (qHTS Validation Assay for Inhibitors of aldehyde dehydrogenase 1 (ALDH1A1))] ChEMBL. No reference
Potency (functional) 100 uM PUBCHEM_BIOASSAY: HTS for Inhibitors of HP1-beta Chromodomain Interactions with Methylated Histone Tails. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID488962] ChEMBL. No reference

Phenotypes

Whole-cell/tissue/organism interactions

Species name Source Reference Is orphan
Plasmodium falciparum ChEMBL23

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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