Detailed information for compound 1389143

Basic information

Technical information
  • TDR Targets ID: 1389143
  • Name: 4-acetamido-N-[5-(ethoxymethyl)-1,3,4-thiadia zol-2-yl]benzamide
  • MW: 320.367 | Formula: C14H16N4O3S
  • H donors: 2 H acceptors: 4 LogP: 0.76 Rotable bonds: 8
    Rule of 5 violations (Lipinski): 1
  • SMILES: CCOCc1nnc(s1)NC(=O)c1ccc(cc1)NC(=O)C
  • InChi: 1S/C14H16N4O3S/c1-3-21-8-12-17-18-14(22-12)16-13(20)10-4-6-11(7-5-10)15-9(2)19/h4-7H,3,8H2,1-2H3,(H,15,19)(H,16,18,20)
  • InChiKey: VPXAHKYDGPXFBJ-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

  • AJ-292/42648177
  • MLS000764632
  • SMR000290237
  • ST5287051
  • ZINC02191238
  • 4-Acetylamino-N-(5-ethoxymethyl-[1,3,4]thiadiazol-2-yl)-benzamide
  • BAS 09534102

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Homo sapiens GNAS complex locus Starlite/ChEMBL No references
Homo sapiens polymerase (DNA directed) iota Starlite/ChEMBL No references

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
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 japonicum ko:K04632 guanine nucleotide binding protein (G protein), alpha stimulating, putative 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
Loa Loa (eye worm) GTP-binding regulatory protein Gs alpha-S chain 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 multilocularis guanine nucleotide binding protein G(s) subunit 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
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
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
Brugia malayi ImpB/MucB/SamB family protein 0.0023 0.302 0.302
Onchocerca volvulus Neuropeptide F receptor homolog 0.0009 0 0.5
Onchocerca volvulus 0.0009 0 0.5
Onchocerca volvulus 0.0009 0 0.5
Mycobacterium tuberculosis Conserved hypothetical protein 0.0023 0.302 0.5
Schistosoma mansoni terminal deoxycytidyl transferase 0.0023 0.302 0.302
Trypanosoma brucei DNA polymerase kappa, putative 0.0023 0.302 1
Brugia malayi ImpB/MucB/SamB family protein 0.0023 0.302 0.302
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0055 1 1
Schistosoma mansoni rab geranylgeranyl transferase alpha subunit 0.0023 0.302 0.302
Trypanosoma brucei DNA polymerase kappa, putative 0.0023 0.302 1
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0055 1 1
Trypanosoma cruzi DNA polymerase eta, putative 0.0023 0.302 0.5
Onchocerca volvulus 0.0009 0 0.5
Onchocerca volvulus 0.0009 0 0.5
Trypanosoma brucei DNA polymerase kappa, putative 0.0023 0.302 1
Trypanosoma brucei DNA polymerase eta, putative 0.0023 0.302 1
Mycobacterium ulcerans DNA polymerase IV 0.0023 0.302 0.5
Onchocerca volvulus 0.0009 0 0.5
Trypanosoma brucei DNA polymerase kappa, putative 0.0023 0.302 1
Trypanosoma cruzi DNA polymerase kappa, putative 0.0023 0.302 0.5
Trypanosoma brucei DNA polymerase kappa, putative 0.0023 0.302 1
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0055 1 1
Onchocerca volvulus 0.0009 0 0.5
Trypanosoma brucei DNA polymerase IV, putative 0.0023 0.302 1
Echinococcus multilocularis terminal deoxycytidyl transferase rev1 0.0023 0.302 0.302
Onchocerca volvulus 0.0009 0 0.5
Onchocerca volvulus 0.0009 0 0.5
Trypanosoma brucei DNA polymerase IV, putative 0.0023 0.302 1
Loa Loa (eye worm) ImpB/MucB/SamB family protein 0.0023 0.302 0.302
Echinococcus granulosus dna polymerase kappa 0.0023 0.302 0.302
Mycobacterium tuberculosis Possible DNA-damage-inducible protein P DinP (DNA polymerase V) (pol IV 2) (DNA nucleotidyltransferase (DNA-directed)) 0.0023 0.302 0.5
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0055 1 1
Mycobacterium ulcerans DNA polymerase IV 0.0023 0.302 0.5
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0055 1 1
Onchocerca volvulus 0.0009 0 0.5
Giardia lamblia DINP protein human, muc B family 0.0023 0.302 0.5
Onchocerca volvulus 0.0009 0 0.5
Leishmania major DNA polymerase kappa, putative 0.0023 0.302 0.5
Trypanosoma cruzi DNA polymerase kappa, putative 0.0023 0.302 0.5
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0055 1 1
Onchocerca volvulus 0.0009 0 0.5
Trypanosoma cruzi DNA polymerase kappa, putative 0.0023 0.302 0.5
Trichomonas vaginalis DNA polymerase IV / kappa, putative 0.0023 0.302 0.5
Echinococcus multilocularis dna polymerase eta 0.0023 0.302 0.302
Trypanosoma brucei DNA polymerase kappa, putative 0.0023 0.302 1
Schistosoma mansoni DNA polymerase eta 0.0023 0.302 0.302
Echinococcus granulosus terminal deoxycytidyl transferase rev1 0.0023 0.302 0.302
Trypanosoma brucei DNA polymerase kappa, putative 0.0023 0.302 1
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0055 1 1
Trypanosoma brucei DNA polymerase IV, putative 0.0023 0.302 1
Echinococcus multilocularis dna polymerase kappa 0.0023 0.302 0.302
Trypanosoma brucei unspecified product 0.0023 0.302 1
Trypanosoma brucei DNA polymerase kappa, putative 0.0023 0.302 1
Onchocerca volvulus Dopamine\/Ecdysteroid receptor homolog 0.0009 0 0.5
Leishmania major DNA polymerase eta, putative 0.0023 0.302 0.5
Onchocerca volvulus 0.0009 0 0.5
Trypanosoma cruzi DNA polymerase kappa, putative 0.0023 0.302 0.5
Trypanosoma brucei DNA polymerase kappa, putative 0.0023 0.302 1
Leishmania major DNA polymerase kappa, putative,DNA polymerase IV, putative 0.0023 0.302 0.5
Loa Loa (eye worm) hypothetical protein 0.0023 0.302 0.302
Trichomonas vaginalis DNA polymerase eta, putative 0.0023 0.302 0.5
Entamoeba histolytica deoxycytidyl transferase, putative 0.0023 0.302 0.5
Onchocerca volvulus 0.0009 0 0.5
Onchocerca volvulus 0.0009 0 0.5
Onchocerca volvulus 0.0009 0 0.5
Trypanosoma brucei DNA polymerase kappa, putative 0.0023 0.302 1
Loa Loa (eye worm) GTP-binding regulatory protein Gs alpha-S chain 0.0055 1 1
Echinococcus granulosus dna polymerase eta 0.0023 0.302 0.302
Onchocerca volvulus 0.0009 0 0.5
Onchocerca volvulus 0.0009 0 0.5

Activities

Activity type Activity value Assay description Source Reference
Potency (functional) 0.631 uM PUBCHEM_BIOASSAY: qHTS for Inhibitors of Polymerase Iota. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID588623] ChEMBL. No reference
Potency (functional) 1.9953 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) = 35.4813 um PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of Human Jumonji Domain Containing 2E (JMJD2E). (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) = 100 um PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of DNA Polymerase Beta. (Class of assay: confirmatory) 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

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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