Detailed information for compound 300403

Basic information

Technical information
  • TDR Targets ID: 300403
  • Name: 6,7-dichloro-5-(thiophene-2-carbonyl)-1-benzo furan-2-carboxylic acid
  • MW: 341.166 | Formula: C14H6Cl2O4S
  • H donors: 1 H acceptors: 3 LogP: 4.8 Rotable bonds: 3
    Rule of 5 violations (Lipinski): 1
  • SMILES: OC(=O)c1cc2c(o1)c(Cl)c(c(c2)C(=O)c1cccs1)Cl
  • InChi: 1S/C14H6Cl2O4S/c15-10-7(12(17)9-2-1-3-21-9)4-6-5-8(14(18)19)20-13(6)11(10)16/h1-5H,(H,18,19)
  • InChiKey: OAAFTLSNPWZLRD-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

  • 6,7-dichloro-5-(thiophene-2-carbonyl)benzofuran-2-carboxylic acid
  • 6,7-dichloro-5-[oxo(2-thienyl)methyl]-2-benzofurancarboxylic acid
  • 6,7-dichloro-5-thiophen-2-ylcarbonyl-1-benzofuran-2-carboxylic acid
  • 6,7-dichloro-5-(2-thenoyl)coumarilic acid
  • 6,7-dichloro-5-[oxo-(2-thienyl)methyl]-2-benzofurancarboxylic acid

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
Trypanosoma brucei DNA polymerase kappa, putative 0.0021 0.2754 1
Schistosoma mansoni hypothetical protein 0.0016 0.1421 0.1421
Trypanosoma brucei unspecified product 0.0021 0.2754 1
Brugia malayi latrophilin 2 splice variant baaae 0.0034 0.6012 0.6012
Trypanosoma cruzi DNA polymerase kappa, putative 0.0021 0.2754 0.5
Mycobacterium tuberculosis Conserved hypothetical protein 0.0021 0.2754 0.5
Mycobacterium tuberculosis Possible DNA-damage-inducible protein P DinP (DNA polymerase V) (pol IV 2) (DNA nucleotidyltransferase (DNA-directed)) 0.0021 0.2754 0.5
Schistosoma mansoni hypothetical protein 0.0016 0.1421 0.1421
Echinococcus multilocularis dna polymerase eta 0.0021 0.2754 0.2754
Trypanosoma brucei DNA polymerase IV, putative 0.0021 0.2754 1
Onchocerca volvulus Protein ultraspiracle homolog 0.001 0 0.5
Trypanosoma cruzi DNA polymerase eta, putative 0.0021 0.2754 0.5
Echinococcus multilocularis cadherin EGF LAG seven pass G type receptor 0.0016 0.1421 0.1421
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.005 1 1
Brugia malayi ImpB/MucB/SamB family protein 0.0021 0.2754 0.2754
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.005 1 1
Trypanosoma brucei DNA polymerase IV, putative 0.0021 0.2754 1
Brugia malayi calcium-independent alpha-latrotoxin receptor 2, putative 0.0016 0.1421 0.1421
Echinococcus granulosus GPCR family 2 0.0016 0.1421 0.1421
Loa Loa (eye worm) hypothetical protein 0.0034 0.6012 0.6012
Trypanosoma brucei DNA polymerase kappa, putative 0.0021 0.2754 1
Trichomonas vaginalis DNA polymerase IV / kappa, putative 0.0021 0.2754 0.5
Onchocerca volvulus 0.001 0 0.5
Giardia lamblia DINP protein human, muc B family 0.0021 0.2754 0.5
Echinococcus granulosus terminal deoxycytidyl transferase rev1 0.0021 0.2754 0.2754
Echinococcus multilocularis terminal deoxycytidyl transferase rev1 0.0021 0.2754 0.2754
Schistosoma mansoni DNA polymerase eta 0.0021 0.2754 0.2754
Trypanosoma cruzi DNA polymerase kappa, putative 0.0021 0.2754 0.5
Schistosoma mansoni hypothetical protein 0.0034 0.6012 0.6012
Brugia malayi Latrophilin receptor protein 2 0.0016 0.1421 0.1421
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.005 1 1
Schistosoma mansoni hypothetical protein 0.0016 0.1421 0.1421
Leishmania major DNA polymerase eta, putative 0.0021 0.2754 0.5
Trypanosoma brucei DNA polymerase kappa, putative 0.0021 0.2754 1
Loa Loa (eye worm) hypothetical protein 0.0016 0.1421 0.1421
Schistosoma mansoni rab geranylgeranyl transferase alpha subunit 0.0021 0.2754 0.2754
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.005 1 1
Loa Loa (eye worm) pigment dispersing factor receptor c 0.005 0.9968 0.9968
Echinococcus multilocularis dna polymerase kappa 0.0021 0.2754 0.2754
Mycobacterium ulcerans DNA polymerase IV 0.0021 0.2754 0.5
Trypanosoma brucei DNA polymerase kappa, putative 0.0021 0.2754 1
Loa Loa (eye worm) latrophilin receptor protein 2 0.0016 0.1421 0.1421
Schistosoma mansoni terminal deoxycytidyl transferase 0.0021 0.2754 0.2754
Leishmania major DNA polymerase kappa, putative,DNA polymerase IV, putative 0.0021 0.2754 0.5
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.005 1 1
Trypanosoma cruzi DNA polymerase kappa, putative 0.0021 0.2754 0.5
Echinococcus granulosus dna polymerase kappa 0.0021 0.2754 0.2754
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.005 1 1
Loa Loa (eye worm) hypothetical protein 0.0021 0.2754 0.2754
Trypanosoma brucei DNA polymerase kappa, putative 0.0021 0.2754 1
Echinococcus multilocularis diuretic hormone 44 receptor GPRdih2 0.0016 0.1421 0.1421
Onchocerca volvulus Bile acid receptor homolog 0.001 0 0.5
Schistosoma mansoni hypothetical protein 0.0016 0.1421 0.1421
Echinococcus granulosus cadherin EGF LAG seven pass G type receptor 0.0016 0.1421 0.1421
Trypanosoma brucei DNA polymerase IV, putative 0.0021 0.2754 1
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.005 1 1
Trypanosoma brucei DNA polymerase kappa, putative 0.0021 0.2754 1
Trypanosoma brucei DNA polymerase kappa, putative 0.0021 0.2754 1
Echinococcus granulosus dna polymerase eta 0.0021 0.2754 0.2754
Trypanosoma brucei DNA polymerase kappa, putative 0.0021 0.2754 1
Trypanosoma brucei DNA polymerase kappa, putative 0.0021 0.2754 1
Entamoeba histolytica deoxycytidyl transferase, putative 0.0021 0.2754 0.5
Trypanosoma brucei DNA polymerase kappa, putative 0.0021 0.2754 1
Loa Loa (eye worm) GTP-binding regulatory protein Gs alpha-S chain 0.005 1 1
Trypanosoma cruzi DNA polymerase kappa, putative 0.0021 0.2754 0.5
Echinococcus granulosus diuretic hormone 44 receptor GPRdih2 0.0016 0.1421 0.1421
Mycobacterium ulcerans DNA polymerase IV 0.0021 0.2754 0.5
Trichomonas vaginalis DNA polymerase eta, putative 0.0021 0.2754 0.5
Brugia malayi Calcitonin receptor-like protein seb-1 0.005 0.9968 0.9968
Echinococcus multilocularis GPCR, family 2 0.0016 0.1421 0.1421
Leishmania major DNA polymerase kappa, putative 0.0021 0.2754 0.5
Loa Loa (eye worm) hypothetical protein 0.005 0.9968 0.9968
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.005 0.9968 0.9968
Onchocerca volvulus Steroid hormone receptor family member cnr14 homolog 0.001 0 0.5
Loa Loa (eye worm) ImpB/MucB/SamB family protein 0.0021 0.2754 0.2754
Trypanosoma brucei DNA polymerase eta, putative 0.0021 0.2754 1
Brugia malayi ImpB/MucB/SamB family protein 0.0021 0.2754 0.2754

Activities

Activity type Activity value Assay description Source Reference
Oral activity (functional) = 1.6 Compound was tested for diuretic activity in dogs at 5 mg/kg dose after oral administration measured as microequivalent of K+/minute ChEMBL. 7277395
Oral activity (functional) = 5 Compound was tested for diuretic activity in dogs at 5 mg/kg dose after intravenous administration measured as microequivalent of K+/minute; 5/19 (Control/Drug treated) ChEMBL. 7277395
Oral activity (functional) = 6.9 Compound was tested for diuretic activity in dogs at 5 mg/kg dose after oral administration measured as microequivalent of Na+/minute ChEMBL. 7277395
Oral activity (functional) = 9 Compound was tested for diuretic activity in dogs at 5 mg/kg dose after intravenous administration measured as microequivalent of Cl-/minute; 9/510 (Control/Drug treated) ChEMBL. 7277395
Oral activity (functional) = 9.8 Compound was tested for diuretic activity in dogs at 5 mg/kg dose after oral administration measured as microequivalent of Cl-/minute ChEMBL. 7277395
Oral activity (functional) = 32 Natriuretic activity in rats at 3 mg/kg of dosage; mequiv of Na ChEMBL. 7277395
Oral activity (functional) = 32 Compound was tested for diuretic activity in dogs at 5 mg/kg dose after intravenous administration measured as microequivalent of Na+/minute; 32/452 (Control/Drug treated) ChEMBL. 7277395
Oral activity (functional) = 62 Natriuretic activity in rats at 9 mg/kg of dosage; mequiv of Na ChEMBL. 7277395
Oral activity (functional) = 88 Natriuretic activity in rats at 27 mg/kg of dosage; mequiv of Na ChEMBL. 7277395
Oral activity (functional) = 131 Natriuretic activity in rats at 81 mg/kg of dosage; mequiv of Na ChEMBL. 7277395
Oral activity (functional) = 396 Compound was tested for natriuretic activity in chimpanzee at 5 mg/kg dose activity is measured as microequivalent of Na+/minute; muequiv of Na+/min ChEMBL. 7277395
Ratio (functional) = 0.061 Compound was tested for natriuretic activity in chimpanzee at 5 mg/kg dose activity is measured as ratio of clearance of urate / insulin; Curate/Cinulin ChEMBL. 7277395
Urine volume (functional) = 0.7 ml min-1 Compound was tested for diuretic activity in dogs at 5 mg/kg dose after intravenous administration, activity is expressed as urine volume; 0.7/4 ChEMBL. 7277395
Urine volume (functional) = 270 ml min-1 Diuretic activity in dogs following 5 mg/kg i.v. administration. ChEMBL. 7277395

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

1 literature reference was collected for this gene.

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