Detailed information for compound 148975

Basic information

Technical information
  • TDR Targets ID: 148975
  • Name: [4-(3-chlorophenyl)-5-oxo-2H-furan-2-yl]methy l 4-chlorobenzoate
  • MW: 363.191 | Formula: C18H12Cl2O4
  • H donors: 0 H acceptors: 2 LogP: 4.69 Rotable bonds: 5
    Rule of 5 violations (Lipinski): 1
  • SMILES: Clc1ccc(cc1)C(=O)OCC1C=C(C(=O)O1)c1cccc(c1)Cl
  • InChi: 1S/C18H12Cl2O4/c19-13-6-4-11(5-7-13)17(21)23-10-15-9-16(18(22)24-15)12-2-1-3-14(20)8-12/h1-9,15H,10H2
  • InChiKey: ZCXRLERTCRRLBL-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

  • 4-chlorobenzoic acid [4-(3-chlorophenyl)-5-oxo-2H-furan-2-yl]methyl ester
  • 4-chlorobenzoic acid [4-(3-chlorophenyl)-5-keto-2H-furan-2-yl]methyl ester
  • 3-(3-Chlorophenyl)-5-(4-chlorobenzoyloxymethyl)-2H,5H-furan-2-one
  • AIDS-110745
  • AIDS110745

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) tumor suppressor 0.0346 1 1
Trypanosoma brucei calpain, putative 0.012 0.2877 0.5
Trypanosoma brucei hypothetical protein 0.012 0.2877 0.5
Trypanosoma cruzi calpain-like cysteine peptidase, putative 0.012 0.2877 0.5
Trypanosoma brucei calpain-like cysteine peptidase, putative 0.012 0.2877 0.5
Trypanosoma cruzi calpain-like cysteine peptidase, putative 0.012 0.2877 0.5
Trypanosoma cruzi calpain-like cysteine peptidase, putative 0.012 0.2877 0.5
Trypanosoma cruzi cysteine peptidase, Clan CA, family C2, putative 0.012 0.2877 0.5
Trypanosoma brucei variant surface glycoprotein (VSG), putative 0.012 0.2877 0.5
Trypanosoma brucei cysteine peptidase, Clan CA, family C2, putative 0.012 0.2877 0.5
Trypanosoma brucei calpain-like protein, putative 0.012 0.2877 0.5
Trypanosoma brucei calpain-like cysteine peptidase, putative 0.012 0.2877 0.5
Leishmania major calpain-like cysteine peptidase, putative,cysteine peptidase, Clan CA, family C2, putative 0.012 0.2877 0.5
Trypanosoma brucei calpain-like cysteine peptidase, putative 0.012 0.2877 0.5
Trypanosoma cruzi calpain cysteine peptidase, putative 0.012 0.2877 0.5
Trypanosoma brucei calpain-like cysteine peptidase, putative 0.012 0.2877 0.5
Leishmania major calpain-like cysteine peptidase, putative,cysteine peptidase, Clan CA, family C2, putative 0.012 0.2877 0.5
Leishmania major calpain-like cysteine peptidase, putative,cysteine peptidase, Clan CA, family C2, putative 0.012 0.2877 0.5
Trypanosoma brucei calpain-like cysteine peptidase, putative 0.012 0.2877 0.5

Activities

Activity type Activity value Assay description Source Reference
MIC (functional) = 1.95 uM l-1 Inhibition of Candida albicans ATCC44859 growth for 24 hours in vitro. ChEMBL. 11495582
MIC (functional) = 1.95 uM l-1 Inhibition of Candida glabrata 20/I growth for 24 hours in vitro. ChEMBL. 11495582
MIC (functional) = 1.95 uM l-1 Inhibition of Candida glabrata 20/I growth for 48 hours in vitro. ChEMBL. 11495582
MIC (functional) = 1.95 uM l-1 Inhibition of Aspergillus fumigatus 231 growth for 24 hours in vitro. ChEMBL. 11495582
MIC (functional) = 1.95 uM l-1 Inhibition of Trichophyton mentagrophytes 445 growth for 72 hours in vitro. ChEMBL. 11495582
MIC (functional) = 1.95 uM l-1 Inhibition of Candida albicans ATCC44859 growth for 24 hours in vitro. ChEMBL. 11495582
MIC (functional) = 3.91 uM l-1 Inhibition of Candida albicans ATCC44859 growth for 48 hours in vitro. ChEMBL. 11495582
MIC (functional) = 3.91 uM l-1 Inhibition of Aspergillus fumigatus 231 growth for 48 hours in vitro. ChEMBL. 11495582
MIC (functional) = 3.91 uM l-1 In vitro inhibition of Absidia corymbifera 272 growth for 24 hours. ChEMBL. 11495582
MIC (functional) = 3.91 uM l-1 Inhibition of Trichophyton mentagrophytes 445 growth for 120 hours in vitro. ChEMBL. 11495582
MIC (functional) = 3.91 uM l-1 Inhibition of Candida albicans ATCC44859 growth for 48 hours in vitro. ChEMBL. 11495582
MIC (functional) = 7.81 uM l-1 Inhibition of Candida albicans ATCC90028 for 24 hours in vitro. ChEMBL. 11495582
MIC (functional) = 7.81 uM l-1 Inhibition of Candida albicans ATCC90028 for 48 hours in vitro. ChEMBL. 11495582
MIC (functional) = 7.81 uM l-1 Inhibition of Candida parapsilosis ATC22019 growth for 24 hours in vitro. ChEMBL. 11495582
MIC (functional) = 7.81 uM l-1 Inhibition of Candida krusei ATCC6258 growth for 24 hours in vitro. ChEMBL. 11495582
MIC (functional) = 7.81 uM l-1 Inhibition of Candida lusitaniae 2446/I growth for 24 hours in vitro. ChEMBL. 11495582
MIC (functional) = 7.81 uM l-1 Inhibition of Trichosporon beigelli 1188 for 24 hours in vitro. ChEMBL. 11495582
MIC (functional) = 7.81 uM l-1 Inhibition of Candida albicans ATCC90028 for 24 hours in vitro. ChEMBL. 11495582
MIC (functional) = 7.81 uM l-1 Inhibition of Candida albicans ATCC90028 for 48 hours in vitro. ChEMBL. 11495582
MIC (functional) = 15.63 uM l-1 Inhibition of Candida krusei ATCC6258 growth for 48 hours in vitro. ChEMBL. 11495582
MIC (functional) = 15.63 uM l-1 Inhibition of Candida krusei E28 growth for 24 hours in vitro. ChEMBL. 11495582
MIC (functional) = 15.63 uM l-1 Inhibition of Candida krusei E28 growth for 48 hours in vitro. ChEMBL. 11495582
MIC (functional) = 15.63 uM l-1 Inhibition of Candida tropicalis 156 growth for 24 hours in vitro. ChEMBL. 11495582
MIC (functional) = 15.63 uM l-1 Inhibition of Candida lusitaniae 2446/I growth for 48 hours in vitro. ChEMBL. 11495582
MIC (functional) = 15.63 uM l-1 Inhibition of Trichosporon beigelli 1188 for 48 hours in vitro. ChEMBL. 11495582
MIC (functional) = 15.63 uM l-1 In vitro inhibition of Absidia corymbifera 272 growth for 48 hours. ChEMBL. 11495582
MIC (functional) = 31.25 uM l-1 Inhibition of Candida parapsilosis ATC22019 growth for 48 hours in vitro. ChEMBL. 11495582
MIC (functional) = 31.25 uM l-1 Inhibition of Candida tropicalis 156 growth for 48 hours in vitro. ChEMBL. 11495582

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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