Detailed information for compound 1454257

Basic information

Technical information
  • TDR Targets ID: 1454257
  • Name: 2-(4-chlorophenyl)-5-hydroxy-1-benzofuran-3-c arbaldehyde
  • MW: 272.683 | Formula: C15H9ClO3
  • H donors: 1 H acceptors: 2 LogP: 3.72 Rotable bonds: 2
    Rule of 5 violations (Lipinski): 1
  • SMILES: O=Cc1c(oc2c1cc(O)cc2)c1ccc(cc1)Cl
  • InChi: 1S/C15H9ClO3/c16-10-3-1-9(2-4-10)15-13(8-17)12-7-11(18)5-6-14(12)19-15/h1-8,18H
  • InChiKey: FCPWONWYBIFDAU-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

  • 2-(4-chlorophenyl)-5-hydroxy-benzofuran-3-carbaldehyde
  • 2-(4-chlorophenyl)-5-hydroxy-3-benzofurancarboxaldehyde
  • MLS001178505
  • SMR000476403
  • AI-031/40634259
  • ZINC00333976

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Homo sapiens breast cancer 1, early onset Starlite/ChEMBL No references
Mus musculus heat shock factor 1 Starlite/ChEMBL No references
Homo sapiens RAN, member RAS oncogene family No references
Homo sapiens karyopherin (importin) beta 1 No references
Homo sapiens lysine (K)-specific demethylase 4A Starlite/ChEMBL No references
Homo sapiens snurportin 1 No references

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Candida albicans Ran, Ras family GTP-binding protein Get druggable targets OG5_127514 All targets in OG5_127514
Leishmania donovani GTP-binding protein, putative Get druggable targets OG5_127514 All targets in OG5_127514
Leishmania mexicana GTP-binding protein, putative Get druggable targets OG5_127514 All targets in OG5_127514
Toxoplasma gondii HEAT repeat-containing protein Get druggable targets OG5_127843 All targets in OG5_127843
Trypanosoma brucei importin beta-1 subunit, putative Get druggable targets OG5_127843 All targets in OG5_127843
Theileria parva GTP-binding nuclear protein ran, putative Get druggable targets OG5_127514 All targets in OG5_127514
Trypanosoma congolense GTP-binding nuclear protein rtb2, putative Get druggable targets OG5_127514 All targets in OG5_127514
Leishmania braziliensis importin beta-1 subunit, putative Get druggable targets OG5_127843 All targets in OG5_127843
Loa Loa (eye worm) nucleolar RNA-associated protein alpha Get druggable targets OG5_131808 All targets in OG5_131808
Plasmodium yoelii GTP-binding nuclear protein ran/tc4 Get druggable targets OG5_127514 All targets in OG5_127514
Leishmania major importin beta-1 subunit, putative Get druggable targets OG5_127843 All targets in OG5_127843
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_127843 All targets in OG5_127843
Trypanosoma cruzi GTP-binding nuclear protein rtb2, putative Get druggable targets OG5_127514 All targets in OG5_127514
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_129203 All targets in OG5_129203
Candida albicans karyopherin-beta Get druggable targets OG5_127843 All targets in OG5_127843
Brugia malayi GTP-binding nuclear protein RAN/TC4 Get druggable targets OG5_127514 All targets in OG5_127514
Candida albicans one of two closely related potential jumonji-like transcription factor genes similar to S. cerevisiae RPH1 (YER169W) damage-resp Get druggable targets OG5_127917 All targets in OG5_127917
Babesia bovis GTP-binding nuclear protein Ran Get druggable targets OG5_127514 All targets in OG5_127514
Echinococcus multilocularis importin subunit beta 1 Get druggable targets OG5_127843 All targets in OG5_127843
Schistosoma mansoni jumonji domain containing protein Get druggable targets OG5_127917 All targets in OG5_127917
Plasmodium falciparum importin beta, putative Get druggable targets OG5_127843 All targets in OG5_127843
Echinococcus multilocularis Transcription factor, JmjC domain containing protein Get druggable targets OG5_127917 All targets in OG5_127917
Trypanosoma congolense importin beta-1 subunit, putative Get druggable targets OG5_127843 All targets in OG5_127843
Plasmodium knowlesi importin beta, putative Get druggable targets OG5_127843 All targets in OG5_127843
Echinococcus granulosus snurportin 1 Get druggable targets OG5_131808 All targets in OG5_131808
Brugia malayi jmjC domain containing protein Get druggable targets OG5_127917 All targets in OG5_127917
Cryptosporidium parvum importin/karyopherin Get druggable targets OG5_127843 All targets in OG5_127843
Entamoeba histolytica heat shock transcription factor, putative Get druggable targets OG5_129203 All targets in OG5_129203
Echinococcus granulosus GTP binding nuclear protein Ran Get druggable targets OG5_127514 All targets in OG5_127514
Entamoeba histolytica hypothetical protein Get druggable targets OG5_127843 All targets in OG5_127843
Schistosoma japonicum ko:K07936 GTP-binding nuclear protein Ran, putative Get druggable targets OG5_127514 All targets in OG5_127514
Candida albicans Ran, Ras family GTP-binding protein Get druggable targets OG5_127514 All targets in OG5_127514
Babesia bovis importin beta subunit, putative Get druggable targets OG5_127843 All targets in OG5_127843
Cryptosporidium hominis importin-beta2 Get druggable targets OG5_127843 All targets in OG5_127843
Echinococcus granulosus jumonji domain containing protein Get druggable targets OG5_127917 All targets in OG5_127917
Candida albicans one of two closely related potential jumonji-like transcription factor genes similar to S. cerevisiae RPH1 (YER169W) damage-resp Get druggable targets OG5_127917 All targets in OG5_127917
Schistosoma mansoni hypothetical protein Get druggable targets OG5_131808 All targets in OG5_131808
Leishmania infantum GTP-binding protein, putative Get druggable targets OG5_127514 All targets in OG5_127514
Candida albicans one of two closely related potential jumonji-like transcription factor genes similar to S. cerevisiae RPH1 (YER169W) damage-resp Get druggable targets OG5_127917 All targets in OG5_127917
Schistosoma japonicum JmjC domain-containing histone demethylation protein 3C, putative Get druggable targets OG5_127917 All targets in OG5_127917
Schistosoma japonicum expressed protein Get druggable targets OG5_127917 All targets in OG5_127917
Echinococcus multilocularis snurportin 1 Get druggable targets OG5_131808 All targets in OG5_131808
Leishmania infantum importin beta-1 subunit, putative Get druggable targets OG5_127843 All targets in OG5_127843
Schistosoma japonicum Importin subunit beta, putative Get druggable targets OG5_127843 All targets in OG5_127843
Schistosoma japonicum Snurportin-1, putative Get druggable targets OG5_131808 All targets in OG5_131808
Plasmodium berghei GTP-binding nuclear protein RAN/TC4, putative Get druggable targets OG5_127514 All targets in OG5_127514
Plasmodium yoelii importin beta-1 subunit Get druggable targets OG5_127843 All targets in OG5_127843
Candida albicans similar to S. cerevisiae Heat Shock Factor HSF1 (YGL073W) RNA Pol II transcriptional activator Get druggable targets OG5_129203 All targets in OG5_129203
Candida albicans one of two closely related potential jumonji-like transcription factor genes similar to S. cerevisiae RPH1 (YER169W) damage-resp Get druggable targets OG5_127917 All targets in OG5_127917
Leishmania mexicana importin beta-1 subunit, putative Get druggable targets OG5_127843 All targets in OG5_127843
Schistosoma japonicum Importin subunit beta-1, putative Get druggable targets OG5_127843 All targets in OG5_127843
Onchocerca volvulus Heat shock factor protein 2 homolog Get druggable targets OG5_129203 All targets in OG5_129203
Trichomonas vaginalis Importin beta-1 subunit, putative Get druggable targets OG5_127843 All targets in OG5_127843
Schistosoma mansoni ran Get druggable targets OG5_127514 All targets in OG5_127514
Cryptosporidium hominis GTP-binding nuclear protein ran/tc4 Get druggable targets OG5_127514 All targets in OG5_127514
Neospora caninum hypothetical protein Get druggable targets OG5_127843 All targets in OG5_127843
Neospora caninum GTP-binding nuclear protein Ran, related Get druggable targets OG5_127514 All targets in OG5_127514
Candida albicans karyopherin-beta Get druggable targets OG5_127843 All targets in OG5_127843
Brugia malayi RNA, U transporter 1 Get druggable targets OG5_131808 All targets in OG5_131808
Trypanosoma cruzi GTP-binding nuclear protein rtb2, putative Get druggable targets OG5_127514 All targets in OG5_127514
Toxoplasma gondii GTP-binding nuclear protein ran/tc4 Get druggable targets OG5_127514 All targets in OG5_127514
Brugia malayi Importin beta-1 subunit Get druggable targets OG5_127843 All targets in OG5_127843
Entamoeba histolytica heat shock transcription factor, putative Get druggable targets OG5_129203 All targets in OG5_129203
Plasmodium berghei importin beta, putative Get druggable targets OG5_127843 All targets in OG5_127843
Plasmodium vivax importin-beta 2, putative Get druggable targets OG5_127843 All targets in OG5_127843
Schistosoma mansoni ran Get druggable targets OG5_127514 All targets in OG5_127514
Plasmodium falciparum GTP-binding nuclear protein RAN/TC4 Get druggable targets OG5_127514 All targets in OG5_127514
Trypanosoma brucei GTP-binding nuclear protein rtb2, putative Get druggable targets OG5_127514 All targets in OG5_127514
Trypanosoma brucei gambiense GTP-binding nuclear protein rtb2, putative Get druggable targets OG5_127514 All targets in OG5_127514
Loa Loa (eye worm) jmjC domain-containing protein Get druggable targets OG5_127917 All targets in OG5_127917
Schistosoma mansoni importin beta-1 Get druggable targets OG5_127843 All targets in OG5_127843
Trichomonas vaginalis Importin beta-1 subunit, putative Get druggable targets OG5_127843 All targets in OG5_127843
Leishmania major GTP-binding protein, putative Get druggable targets OG5_127514 All targets in OG5_127514
Schistosoma japonicum expressed protein Get druggable targets OG5_127917 All targets in OG5_127917
Trypanosoma brucei gambiense importin beta-1 subunit, putative Get druggable targets OG5_127843 All targets in OG5_127843
Entamoeba histolytica Ran family GTPase Get druggable targets OG5_127514 All targets in OG5_127514
Echinococcus multilocularis jumonji domain containing protein Get druggable targets OG5_127917 All targets in OG5_127917
Brugia malayi HSF-type DNA-binding domain containing protein Get druggable targets OG5_129203 All targets in OG5_129203
Leishmania donovani importin beta-1 subunit, putative Get druggable targets OG5_127843 All targets in OG5_127843
Candida albicans similar to S. cerevisiae Heat Shock Factor HSF1 (YGL073W) RNA Pol II transcriptional activator Get druggable targets OG5_129203 All targets in OG5_129203
Plasmodium yoelii hypothetical protein Get druggable targets OG5_127917 All targets in OG5_127917
Echinococcus granulosus importin subunit beta 1 Get druggable targets OG5_127843 All targets in OG5_127843
Schistosoma japonicum Probable JmjC domain-containing histone demethylation protein 3B, putative Get druggable targets OG5_127917 All targets in OG5_127917
Giardia lamblia GTP-binding nuclear protein RAN/TC4 Get druggable targets OG5_127514 All targets in OG5_127514
Trypanosoma cruzi importin beta-1 subunit, putative Get druggable targets OG5_127843 All targets in OG5_127843
Plasmodium vivax GTP-binding nuclear protein RAN/TC4, putative Get druggable targets OG5_127514 All targets in OG5_127514
Leishmania braziliensis GTP-binding protein, putative Get druggable targets OG5_127514 All targets in OG5_127514
Trichomonas vaginalis ran, putative Get druggable targets OG5_127514 All targets in OG5_127514
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_127917 All targets in OG5_127917
Trichomonas vaginalis importin beta-1, putative Get druggable targets OG5_127843 All targets in OG5_127843
Cryptosporidium parvum GTP-binding nuclear protein ran/tc4 Get druggable targets OG5_127514 All targets in OG5_127514
Loa Loa (eye worm) GTP-binding nuclear protein RAN/TC4 Get druggable targets OG5_127514 All targets in OG5_127514
Theileria parva importin beta, putative Get druggable targets OG5_127843 All targets in OG5_127843
Echinococcus granulosus Transcription factor JmjC domain containing protein Get druggable targets OG5_127917 All targets in OG5_127917
Trypanosoma brucei importin beta-1 subunit, putative Get druggable targets OG5_127843 All targets in OG5_127843
Echinococcus multilocularis GTP binding nuclear protein Ran Get druggable targets OG5_127514 All targets in OG5_127514
Plasmodium knowlesi GTP-binding nuclear protein RAN/TC4, putative Get druggable targets OG5_127514 All targets in OG5_127514
Entamoeba histolytica heat shock transcription factor, putative Get druggable targets OG5_129203 All targets in OG5_129203
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 hypothetical protein 0.0372 0.3374 0.3331
Echinococcus multilocularis lysine specific demethylase 5A 0.0043 0.0141 0.0077
Onchocerca volvulus 0.1046 1 1
Plasmodium falciparum hexokinase 0.1046 1 1
Entamoeba histolytica heat shock transcription factor, putative 0.012 0.0899 0.0899
Trichomonas vaginalis importin beta-1, putative 0.0028 0 0.5
Trypanosoma cruzi hexokinase, putative 0.1046 1 1
Brugia malayi RNA, U transporter 1 0.0099 0.0695 0.0635
Echinococcus multilocularis snurportin 1 0.0372 0.3374 0.3331
Brugia malayi jmjC domain containing protein 0.0043 0.0141 0.0077
Loa Loa (eye worm) nucleolar RNA-associated protein alpha 0.0372 0.3374 0.3331
Loa Loa (eye worm) PHD-finger family protein 0.0035 0.0068 0.0004
Leishmania major hexokinase, putative 0.1046 1 1
Plasmodium falciparum phd finger protein, putative 0.0035 0.0068 0.0004
Echinococcus granulosus hexokinase 0.1046 1 1
Treponema pallidum hexokinase (hxk) 0.1046 1 0.5
Loa Loa (eye worm) hypothetical protein 0.0333 0.299 0.2945
Onchocerca volvulus 0.0656 0.617 0.6144
Onchocerca volvulus Hexokinase homolog 0.0656 0.617 0.6144
Toxoplasma gondii PHD-finger domain-containing protein 0.0035 0.0068 0.0004
Loa Loa (eye worm) hypothetical protein 0.012 0.0899 0.084
Giardia lamblia PHD finger protein 15 0.0035 0.0068 0.5
Entamoeba histolytica heat shock transcription factor, putative 0.012 0.0899 0.0899
Plasmodium vivax hypothetical protein, conserved 0.0035 0.0068 0.0004
Schistosoma mansoni jumonji/arid domain-containing protein 0.0043 0.0141 0.0077
Schistosoma mansoni jumonji/arid domain-containing protein 0.0043 0.0141 0.0077
Echinococcus multilocularis jumonji domain containing protein 0.0049 0.0204 0.014
Schistosoma mansoni hexokinase 0.1046 1 1
Echinococcus granulosus snurportin 1 0.0372 0.3374 0.3331
Loa Loa (eye worm) hexokinase 0.1046 1 1
Entamoeba histolytica hexokinase 2 0.1046 1 1
Schistosoma mansoni jumonji domain containing protein 0.0092 0.0623 0.0561
Loa Loa (eye worm) jmjC domain-containing protein 0.0073 0.0437 0.0374
Onchocerca volvulus 0.1046 1 1
Trichomonas vaginalis Importin beta-1 subunit, putative 0.0028 0 0.5
Loa Loa (eye worm) hypothetical protein 0.006 0.0316 0.0253
Schistosoma mansoni hypothetical protein 0.0035 0.0068 0.0004
Brugia malayi HSF-type DNA-binding domain containing protein 0.012 0.0899 0.084
Echinococcus granulosus hexokinase 0.1046 1 1
Echinococcus multilocularis hexokinase 0.1046 1 1
Brugia malayi Bromodomain containing protein 0.0035 0.0068 0.0004
Echinococcus granulosus jumonji domain containing protein 0.0049 0.0204 0.014
Loa Loa (eye worm) hypothetical protein 0.0035 0.0068 0.0004
Brugia malayi PHD-finger family protein 0.0035 0.0068 0.0004
Loa Loa (eye worm) hexokinase 0.0324 0.2903 0.2856
Loa Loa (eye worm) hypothetical protein 0.0714 0.6732 0.6711
Brugia malayi Hexokinase family protein 0.0324 0.2903 0.2856
Entamoeba histolytica hexokinase 1 0.1046 1 1
Echinococcus multilocularis PHD finger protein rhinoceros 0.0035 0.0068 0.0004
Schistosoma mansoni bromodomain-containing nuclear protein 1 brd1 0.0035 0.0068 0.0004
Echinococcus multilocularis peregrin 0.0035 0.0068 0.0004
Echinococcus multilocularis hexokinase 0.1046 1 1
Trypanosoma brucei hexokinase 0.1046 1 1
Echinococcus multilocularis hexokinase 0.1046 1 1
Brugia malayi Hexokinase family protein 0.1046 1 1
Loa Loa (eye worm) hexokinase 0.1046 1 1
Brugia malayi Hexokinase family protein 0.0656 0.617 0.6145
Echinococcus granulosus PHD finger protein rhinoceros 0.0035 0.0068 0.0004
Trypanosoma brucei hexokinase 0.1046 1 1
Plasmodium vivax hexokinase, putative 0.1046 1 1
Trypanosoma cruzi hexokinase, putative 0.1046 1 1
Loa Loa (eye worm) hexokinase 0.0656 0.617 0.6145
Leishmania major hexokinase, putative 0.1046 1 1
Loa Loa (eye worm) jmjC domain-containing protein 0.0043 0.0141 0.0077
Echinococcus multilocularis hexokinase type 2 0.1046 1 1
Echinococcus granulosus lysine specific demethylase 5A 0.0043 0.0141 0.0077
Toxoplasma gondii PHD-finger domain-containing protein 0.0035 0.0068 0.0004
Onchocerca volvulus 0.1046 1 1
Toxoplasma gondii hexokinase 0.1046 1 1
Echinococcus granulosus hexokinase type 2 0.1046 1 1
Loa Loa (eye worm) hexokinase type II 0.1046 1 1
Trypanosoma brucei hexokinase, putative 0.1046 1 1
Echinococcus multilocularis Transcription factor, JmjC domain containing protein 0.0115 0.0855 0.0796
Brugia malayi jmjC domain containing protein 0.0115 0.0855 0.0796
Echinococcus granulosus peregrin 0.0035 0.0068 0.0004
Entamoeba histolytica heat shock transcription factor, putative 0.012 0.0899 0.0899
Echinococcus granulosus Transcription factor JmjC domain containing protein 0.0115 0.0855 0.0796
Loa Loa (eye worm) hypothetical protein 0.0333 0.299 0.2945
Trichomonas vaginalis Importin beta-1 subunit, putative 0.0028 0 0.5
Brugia malayi hexokinase type II 0.0333 0.299 0.2945
Echinococcus granulosus hexokinase 0.1046 1 1
Onchocerca volvulus Heat shock factor protein 2 homolog 0.012 0.0899 0.0836

Activities

Activity type Activity value Assay description Source Reference
EC50 (functional) = 18.004 um PUBCHEM_BIOASSAY: Luminescence Cell-Based Dose Confirmation HTS to Identify Inhibitors of Heat Shock Factor 1 (HSF1). (Class of assay: confirmatory) [Related pubchem assays: 2118 (Project Summary), 2098 (Primary HTS)] ChEMBL. No reference
Potency (functional) 2.5929 uM PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of RanGTP induced Rango (Ran-regulated importin-beta cargo) - Importin beta complex dissociation. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID540262] ChEMBL. No reference
Potency (functional) 15.8489 uM PubChem BioAssay. qHTS Assay to Identify Small Molecule Activators of BRCA1 Expression. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 17.7828 uM PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of JMJD2A-Tudor Domain. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID504402] ChEMBL. No reference
Potency (functional) 28.1838 uM PubChem BioAssay. qHTS of GLP-1 Receptor Inverse Agonists (Inhibition Mode). (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 29.0929 uM PUBCHEM_BIOASSAY: Nrf2 qHTS screen for inhibitors. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID493153, AID493163, AID504648] ChEMBL. No reference
Potency (functional) 44.6684 uM PUBCHEM_BIOASSAY: qHTS for Inhibitors of Polymerase Eta. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID588636] ChEMBL. No reference
Potency (functional) 50.1187 uM PUBCHEM_BIOASSAY: qHTS for Inhibitors of Polymerase Iota. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID588623] 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) 63.0957 uM PubChem BioAssay. qHTS Assay to Find Inhibitors of Pin1. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 89.1251 uM PUBCHEM_BIOASSAY: qHTS for Inhibitors of Polymerase Kappa. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID588638] ChEMBL. No reference
Potency (functional) 89.1251 uM PubChem BioAssay. qHTS for Inhibitors of WRN Helicase. (Class of assay: confirmatory) 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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