Detailed information for compound 290912

Basic information

Technical information
  • TDR Targets ID: 290912
  • Name: 6,7-dichloro-5-(thiophen-2-ylmethyl)-2,3-dihy dro-1-benzofuran-2-carboxylic acid
  • MW: 329.198 | Formula: C14H10Cl2O3S
  • H donors: 1 H acceptors: 2 LogP: 4.45 Rotable bonds: 3
    Rule of 5 violations (Lipinski): 1
  • SMILES: OC(=O)C1Cc2c(O1)c(Cl)c(c(c2)Cc1cccs1)Cl
  • InChi: 1S/C14H10Cl2O3S/c15-11-7(5-9-2-1-3-20-9)4-8-6-10(14(17)18)19-13(8)12(11)16/h1-4,10H,5-6H2,(H,17,18)
  • InChiKey: UPSZYRSIIIRPCZ-UHFFFAOYSA-N  


Substructure search Similarity search

Network

Hover on a compound node to display the structore

Synonyms

  • 6,7-dichloro-5-(2-thienylmethyl)-2,3-dihydrobenzofuran-2-carboxylic acid
  • 6,7-dichloro-5-(2-thenyl)coumaran-2-carboxylic 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
Loa Loa (eye worm) hypothetical protein 0.0783 1 1
Trypanosoma brucei beta tubulin 0.0084 0 0.5
Echinococcus granulosus nuclear receptor 2DBD gamma 0.0369 0.4079 0.4079
Trypanosoma cruzi beta tubulin, putative 0.0084 0 0.5
Loa Loa (eye worm) nuclear hormone receptor-like 1 0.0413 0.4713 0.4713
Echinococcus granulosus nuclear receptor subfamily 4 group A 0.0369 0.4079 0.4079
Schistosoma mansoni nuclear receptor nhr-48 0.0369 0.4079 0.4079
Echinococcus multilocularis FTZ F1 alpha 0.0783 1 1
Schistosoma mansoni thyroid hormone receptor 0.0783 1 1
Giardia lamblia Beta tubulin 0.0084 0 0.5
Toxoplasma gondii beta-1 tubulin, putative 0.0084 0 0.5
Brugia malayi Nuclear hormone receptor family member nhr-49 0.0783 1 1
Echinococcus granulosus nuclear receptor 2DBD gamma 0.0783 1 1
Onchocerca volvulus Steroid hormone receptor family member cnr14 homolog 0.0783 1 1
Brugia malayi nuclear hormone receptor 0.0783 1 1
Loa Loa (eye worm) hypothetical protein 0.0369 0.4079 0.4079
Echinococcus multilocularis nuclear receptor 2DBD gamma 0.0783 1 1
Brugia malayi nuclear receptor RXR 0.0369 0.4079 0.4079
Trichomonas vaginalis tubulin beta chain, putative 0.0084 0 0.5
Schistosoma mansoni nuclear hormone receptor nor-1/nor-2 0.0783 1 1
Loa Loa (eye worm) hypothetical protein 0.0783 1 1
Loa Loa (eye worm) nuclear hormone receptor family member nhr-14 0.0783 1 1
Leishmania major beta tubulin 0.0084 0 0.5
Leishmania major beta tubulin 0.0084 0 0.5
Trichomonas vaginalis tubulin gamma chain, putative 0.0084 0 0.5
Brugia malayi Nuclear hormone receptor family member nhr-14 0.0783 1 1
Loa Loa (eye worm) hypothetical protein 0.0369 0.4079 0.4079
Loa Loa (eye worm) hypothetical protein 0.0369 0.4079 0.4079
Brugia malayi orphan nuclear receptor NR2E1 0.0369 0.4079 0.4079
Onchocerca volvulus 0.0783 1 1
Loa Loa (eye worm) hypothetical protein 0.0369 0.4079 0.4079
Plasmodium vivax tubulin beta chain, putative 0.0084 0 0.5
Loa Loa (eye worm) nuclear hormone receptor family member nhr-40 0.0783 1 1
Brugia malayi Nuclear hormone receptor family member nhr-40 0.0783 1 1
Echinococcus granulosus FTZ F1 alpha 0.0783 1 1
Schistosoma mansoni RAR-like nuclear receptor 0.0783 1 1
Onchocerca volvulus Protein ultraspiracle homolog 0.0783 1 1
Loa Loa (eye worm) hypothetical protein 0.0783 1 1
Trypanosoma brucei beta tubulin 0.0084 0 0.5
Leishmania major beta tubulin 0.0084 0 0.5
Echinococcus granulosus FTZ F1 nuclear receptor protein 0.0783 1 1
Schistosoma mansoni coup transcription factor 0.0783 1 1
Leishmania major beta tubulin 0.0084 0 0.5
Brugia malayi nuclear hormone receptor family member nhr-6 0.0369 0.4079 0.4079
Leishmania major beta tubulin 0.0084 0 0.5
Brugia malayi Ligand-binding domain of nuclear hormone receptor family protein 0.0783 1 1
Loa Loa (eye worm) hypothetical protein 0.0369 0.4079 0.4079
Echinococcus multilocularis COUP TF:Svp nuclear hormone receptor 0.0783 1 1
Schistosoma mansoni thyroid hormone receptor 0.0783 1 1
Echinococcus multilocularis hepatocyte nuclear factor 4 alpha 0.0783 1 1
Brugia malayi hypothetical protein 0.0413 0.4713 0.4713
Giardia lamblia Beta tubulin 0.0084 0 0.5
Brugia malayi Nuclear hormone receptor family member nhr-25 0.0783 1 1
Schistosoma mansoni hepatocyte nuclear factor 4-alpha (hnf-4-alpha) 0.0369 0.4079 0.4079
Leishmania major beta tubulin 0.0084 0 0.5
Brugia malayi Nuclear hormone receptor family member nhr-1 0.0783 1 1
Brugia malayi tailless protein 0.0369 0.4079 0.4079
Entamoeba histolytica tubulin family protein 0.0084 0 0.5
Loa Loa (eye worm) hypothetical protein 0.0783 1 1
Schistosoma mansoni nuclear hormone receptor 0.0369 0.4079 0.4079
Loa Loa (eye worm) nuclear hormone receptor 0.0369 0.4079 0.4079
Echinococcus multilocularis ecdysone induced protein 78C 0.0783 1 1
Brugia malayi nuclear receptor NHR-88 0.0783 1 1
Brugia malayi Nuclear hormone receptor family member nhr-31 0.0783 1 1
Echinococcus multilocularis FTZ F1 nuclear receptor protein 0.0783 1 1
Echinococcus multilocularis nuclear receptor nhr 48 0.0369 0.4079 0.4079
Echinococcus multilocularis nuclear receptor 2DBD gamma 0.0369 0.4079 0.4079
Schistosoma mansoni FTZ-F1 nuclear receptor-like protein 0.0783 1 1
Echinococcus granulosus COUP TF:Svp nuclear hormone receptor 0.0783 1 1
Loa Loa (eye worm) nuclear Hormone Receptor family member 0.0783 1 1
Trichomonas vaginalis tubulin alpha chain, putative 0.0084 0 0.5
Schistosoma mansoni steroid hormone receptor ad4bp 0.0783 1 1
Brugia malayi Steroid receptor seven-up type 2 0.0783 1 1
Brugia malayi nuclear receptor NHR-88 0.0369 0.4079 0.4079
Loa Loa (eye worm) hypothetical protein 0.0369 0.4079 0.4079
Brugia malayi nuclear receptor subfamily 1, group D, member 1, putative 0.0369 0.4079 0.4079
Entamoeba histolytica tubulin family protein 0.0084 0 0.5
Brugia malayi nuclear hormone receptor 0.0369 0.4079 0.4079
Brugia malayi Nuclear hormone receptor family member nhr-41 0.0783 1 1
Brugia malayi Nuclear hormone receptor family member nhr-19 0.0783 1 1
Echinococcus multilocularis thyroid hormone receptor alpha 0.0783 1 1
Echinococcus granulosus retinoic acid receptor rxr beta a 0.0783 1 1
Loa Loa (eye worm) hypothetical protein 0.0369 0.4079 0.4079
Echinococcus multilocularis nuclear receptor subfamily 1 group D 0.0413 0.4713 0.4713
Schistosoma mansoni nuclear hormone receptor 0.0369 0.4079 0.4079
Loa Loa (eye worm) hypothetical protein 0.0413 0.4713 0.4713
Echinococcus granulosus hepatocyte nuclear factor 4 alpha 0.0783 1 1
Leishmania major beta tubulin 0.0084 0 0.5
Loa Loa (eye worm) hypothetical protein 0.0369 0.4079 0.4079
Brugia malayi nuclear hormone receptor family member odr-7 0.0369 0.4079 0.4079
Loa Loa (eye worm) hypothetical protein 0.0783 1 1
Brugia malayi Nuclear hormone receptor-like 1 0.0413 0.4713 0.4713
Trichomonas vaginalis tubulin epsilon chain, putative 0.0084 0 0.5
Trichomonas vaginalis tubulin, putative 0.0084 0 0.5
Brugia malayi Nuclear hormone receptor-like 1 0.0783 1 1
Schistosoma mansoni retinoic acid receptor RXR 0.0783 1 1
Trypanosoma brucei beta tubulin 0.0084 0 0.5
Echinococcus granulosus nuclear receptor subfamily 1 group D 0.0413 0.4713 0.4713
Onchocerca volvulus Bile acid receptor homolog 0.0783 1 1
Leishmania major beta tubulin 0.0084 0 0.5
Leishmania major beta tubulin 0.0084 0 0.5
Loa Loa (eye worm) hypothetical protein 0.0369 0.4079 0.4079
Loa Loa (eye worm) steroid hormone receptor 0.0783 1 1
Leishmania major beta tubulin 0.0084 0 0.5
Echinococcus granulosus nuclear receptor nhr 48 0.0369 0.4079 0.4079
Loa Loa (eye worm) hypothetical protein 0.0413 0.4713 0.4713
Trichomonas vaginalis tubulin epsilon chain, putative 0.0084 0 0.5
Schistosoma mansoni Tr4/Tr2 (homologue) 0.0783 1 1
Loa Loa (eye worm) hypothetical protein 0.0369 0.4079 0.4079
Loa Loa (eye worm) nuclear hormone receptor family member nhr-41 0.0783 1 1
Schistosoma mansoni retinoid-x-receptor (RXR) 0.0413 0.4713 0.4713
Echinococcus granulosus ecdysone induced protein 78C 0.0783 1 1
Loa Loa (eye worm) hypothetical protein 0.0413 0.4713 0.4713
Loa Loa (eye worm) hypothetical protein 0.0783 1 1
Schistosoma mansoni nuclear hormone receptor 0.0783 1 1
Schistosoma mansoni retinoid-x-receptor (RXR) 0.0783 1 1
Brugia malayi hypothetical protein 0.0369 0.4079 0.4079
Loa Loa (eye worm) nuclear receptor NHR-67 0.0369 0.4079 0.4079
Leishmania major beta tubulin 0.0084 0 0.5
Loa Loa (eye worm) nuclear receptor nhr-7B 0.0369 0.4079 0.4079
Brugia malayi Nuclear hormone receptor E75 0.0369 0.4079 0.4079
Loa Loa (eye worm) hypothetical protein 0.0369 0.4079 0.4079
Schistosoma mansoni nuclear hormone receptor superfamily protein-related 0.0369 0.4079 0.4079
Loa Loa (eye worm) hypothetical protein 0.0783 1 1
Echinococcus granulosus thyroid hormone receptor alpha 0.0369 0.4079 0.4079
Brugia malayi Nuclear hormone receptor family member nhr-19 0.0783 1 1
Echinococcus granulosus Nuclear hormone receptor HR96 0.0369 0.4079 0.4079
Brugia malayi conserved hypotetical protein 0.0369 0.4079 0.4079
Brugia malayi hypothetical protein 0.0369 0.4079 0.4079
Toxoplasma gondii beta-tubulin, putative 0.0084 0 0.5
Leishmania major beta tubulin 0.0084 0 0.5
Brugia malayi photoreceptor-specific nuclear receptor 0.0783 1 1
Loa Loa (eye worm) hypothetical protein 0.0413 0.4713 0.4713
Echinococcus multilocularis Nuclear hormone receptor HR96 0.0369 0.4079 0.4079
Schistosoma mansoni ecdysone-induced protein 78c (dr-78) 0.0413 0.4713 0.4713
Schistosoma mansoni nuclear receptor 0.0369 0.4079 0.4079
Schistosoma mansoni zinc finger protein 0.0369 0.4079 0.4079
Echinococcus multilocularis nuclear receptor 2DBD gamma 0.0783 1 1
Brugia malayi Nuclear hormone receptor-like 1 0.0413 0.4713 0.4713
Echinococcus multilocularis Nuclear hormone receptor family member nhr 41 0.0783 1 1
Brugia malayi nuclear receptor NHR-67 0.0369 0.4079 0.4079
Loa Loa (eye worm) hypothetical protein 0.0369 0.4079 0.4079
Brugia malayi nuclear receptor RXR 0.0413 0.4713 0.4713
Brugia malayi Nuclear hormone receptor family member nhr-25 0.0783 1 1
Brugia malayi steroid hormone receptor 0.0783 1 1
Loa Loa (eye worm) hypothetical protein 0.0413 0.4713 0.4713
Giardia lamblia Beta tubulin 0.0084 0 0.5
Brugia malayi Nuclear hormone receptor E75 0.0369 0.4079 0.4079
Loa Loa (eye worm) nuclear hormone receptor family member nhr-1 0.0783 1 1
Loa Loa (eye worm) hypothetical protein 0.0783 1 1
Toxoplasma gondii beta tubulin 0.0084 0 0.5
Brugia malayi ecdysone receptor 0.0369 0.4079 0.4079
Echinococcus granulosus nuclear receptor 2DBD gamma 0.0783 1 1
Leishmania major beta tubulin 0.0084 0 0.5
Loa Loa (eye worm) DR-78 0.0369 0.4079 0.4079
Loa Loa (eye worm) nuclear hormone receptor family member nhr-31 0.0783 1 1
Leishmania major beta tubulin 0.0084 0 0.5
Brugia malayi hypothetical protein 0.0413 0.4713 0.4713
Leishmania major beta tubulin 0.0084 0 0.5
Echinococcus multilocularis nuclear receptor subfamily 4 group A 0.0369 0.4079 0.4079
Trypanosoma brucei beta tubulin 0.0084 0 0.5
Schistosoma mansoni nuclear receptor 2DBD-gamma 0.0783 1 1
Echinococcus granulosus Nuclear hormone receptor HR96 0.0369 0.4079 0.4079
Leishmania major beta tubulin 0.0084 0 0.5
Schistosoma mansoni photoreceptor-specific nuclear receptor related 0.0783 1 1
Loa Loa (eye worm) nuclear hormone receptor family member nhr-49 0.0783 1 1
Leishmania major beta tubulin 0.0084 0 0.5
Echinococcus multilocularis Nuclear hormone receptor HR96 0.0369 0.4079 0.4079
Leishmania major beta tubulin 0.0084 0 0.5
Brugia malayi Ligand-binding domain of nuclear hormone receptor family protein 0.0783 1 1
Plasmodium falciparum tubulin beta chain 0.0084 0 0.5
Echinococcus multilocularis retinoic acid receptor rxr beta a retinoic acid receptor rxr alpha a retinoic acid receptor rxr alpha 0.0369 0.4079 0.4079
Schistosoma mansoni nuclear receptor 0.0369 0.4079 0.4079
Brugia malayi Nuclear hormone receptor family member nhr-3 0.0783 1 1
Echinococcus granulosus Nuclear hormone receptor family member nhr 41 0.0783 1 1
Loa Loa (eye worm) hypothetical protein 0.0369 0.4079 0.4079

Activities

Activity type Activity value Assay description Source Reference
Oral activity (functional) = 2 Compound was tested for diuretic activity in dogs at 5 mg/kg dose after intravenous administration measured as microequivalent of Cl-/minute; 2/612 (Control/Drug treated) ChEMBL. 7277395
Oral activity (functional) = 7 Natriuretic activity in rats at 3 mg/kg of dosage; mequiv of Na ChEMBL. 7277395
Oral activity (functional) = 7.4 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) = 9 Compound was tested for diuretic activity in dogs at 5 mg/kg dose after intravenous administration measured as microequivalent of K+/minute; 9/46 (Control/Drug treated) ChEMBL. 7277395
Oral activity (functional) = 13 Compound was tested for diuretic activity in dogs at 5 mg/kg dose after intravenous administration measured as microequivalent of Na+/minute; 13/565 (Control/Drug treated) ChEMBL. 7277395
Oral activity (functional) = 19 Natriuretic activity in rats at 9 mg/kg of dosage; mequiv of Na ChEMBL. 7277395
Oral activity (functional) = 19 Compound was tested for natriuretic activity in rats at 27 mg/kg of dosage ChEMBL. 7277395
Oral activity (functional) = 21 Natriuretic activity in rats at 81 mg/kg of dosage; mequiv of Na ChEMBL. 7277395
Oral activity (functional) = 30.1 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) = 40.6 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) = 206 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) = 0.185 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) = 0.6 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; 0.6/6 ChEMBL. 7277395
Urine volume (functional) = 433 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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