Detailed information for compound 1541873

Basic information

Technical information
  • TDR Targets ID: 1541873
  • Name: 5-bromo-N-(pyridin-3-ylmethyl)thiophene-2-car boxamide
  • MW: 297.171 | Formula: C11H9BrN2OS
  • H donors: 1 H acceptors: 2 LogP: 2.66 Rotable bonds: 4
    Rule of 5 violations (Lipinski): 1
  • SMILES: Brc1ccc(s1)C(=O)NCc1cccnc1
  • InChi: 1S/C11H9BrN2OS/c12-10-4-3-9(16-10)11(15)14-7-8-2-1-5-13-6-8/h1-6H,7H2,(H,14,15)
  • InChiKey: KSFVQADLPMIOOC-UHFFFAOYSA-N  


Substructure search Similarity search

Network

Hover on a compound node to display the structore

Synonyms

  • 5-bromo-N-(3-pyridylmethyl)thiophene-2-carboxamide
  • 5-bromo-N-(3-pyridylmethyl)-2-thiophenecarboxamide
  • SMR000295835
  • IVK/9309939
  • ZINC01053329
  • 5-bromo-N-(3-pyridinylmethyl)-2-thiophenecarboxamide
  • MLS000684167

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
Schistosoma mansoni DNA polymerase eta 0.0047 0.8671 0.986
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0048 0.8794 1
Mycobacterium tuberculosis Possible DNA-damage-inducible protein P DinP (DNA polymerase V) (pol IV 2) (DNA nucleotidyltransferase (DNA-directed)) 0.002 0.1104 0.5
Entamoeba histolytica deoxycytidyl transferase, putative 0.002 0.1104 0.5
Schistosoma mansoni rab geranylgeranyl transferase alpha subunit 0.002 0.1104 0.1255
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0048 0.8794 1
Loa Loa (eye worm) GTP-binding regulatory protein Gs alpha-S chain 0.0048 0.8794 0.8794
Giardia lamblia DINP protein human, muc B family 0.002 0.1104 0.5
Echinococcus multilocularis dna polymerase eta 0.0047 0.8671 0.986
Echinococcus granulosus dna polymerase eta 0.0047 0.8671 0.986
Brugia malayi GTP-binding regulatory protein Gs alpha-S chain, putative 0.0048 0.8794 0.8794
Trypanosoma cruzi DNA polymerase eta, putative 0.0047 0.8671 1
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0048 0.8794 1
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0048 0.8794 1
Loa Loa (eye worm) hypothetical protein 0.0052 1 1
Echinococcus granulosus terminal deoxycytidyl transferase rev1 0.002 0.1104 0.1255
Loa Loa (eye worm) ImpB/MucB/SamB family protein 0.002 0.1104 0.1104
Brugia malayi Calcitonin receptor-like protein seb-1 0.0052 1 1
Loa Loa (eye worm) hypothetical protein 0.0035 0.5371 0.5371
Mycobacterium tuberculosis Conserved hypothetical protein 0.002 0.1104 0.5
Loa Loa (eye worm) pigment dispersing factor receptor c 0.0052 1 1
Mycobacterium ulcerans DNA polymerase IV 0.002 0.1104 0.5
Echinococcus granulosus dna polymerase kappa 0.002 0.1104 0.1255
Schistosoma mansoni hypothetical protein 0.0035 0.5371 0.6108
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0048 0.8794 1
Trichomonas vaginalis DNA polymerase IV / kappa, putative 0.002 0.1104 0.5
Echinococcus multilocularis dna polymerase kappa 0.002 0.1104 0.1255
Trypanosoma cruzi DNA polymerase eta, putative 0.0033 0.4717 0.4775
Trypanosoma brucei DNA polymerase eta, putative 0.0047 0.8671 1
Brugia malayi latrophilin 2 splice variant baaae 0.0035 0.5371 0.5371
Trichomonas vaginalis DNA polymerase eta, putative 0.002 0.1104 0.5
Leishmania major DNA polymerase eta, putative 0.0047 0.8671 1
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0048 0.8794 1
Mycobacterium ulcerans DNA polymerase IV 0.002 0.1104 0.5
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0048 0.8794 1
Loa Loa (eye worm) hypothetical protein 0.0047 0.8671 0.8671
Brugia malayi ImpB/MucB/SamB family protein 0.002 0.1104 0.1104
Leishmania major DNA polymerase eta, putative 0.0033 0.4717 0.4775
Brugia malayi ImpB/MucB/SamB family protein 0.0047 0.8671 0.8671
Schistosoma mansoni terminal deoxycytidyl transferase 0.002 0.1104 0.1255
Echinococcus multilocularis terminal deoxycytidyl transferase rev1 0.002 0.1104 0.1255
Toxoplasma gondii ImpB/MucB/SamB family protein 0.0033 0.4717 0.5

Activities

Activity type Activity value Assay description Source Reference
Potency (functional) 2.0787 uM PUBCHEM_BIOASSAY: Primary qHTS for delayed death inhibitors of the malarial parasite plastid, 96 hour incubation. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID488745, AID488752, AID488774, AID504848, AID504850] ChEMBL. No reference
Potency (functional) 14.7157 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) 29.0929 uM PubChem BioAssay. A quantitative high throughput screen for small molecules that induce DNA re-replication in SW480 colon adenocarcinoma cells. (Class of assay: confirmatory) 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
Potency (functional) 89.1251 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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