Detailed information for compound 73848

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 325.315 | Formula: C18H15NO5
  • H donors: 3 H acceptors: 4 LogP: 3.2 Rotable bonds: 6
    Rule of 5 violations (Lipinski): 1
  • SMILES: OC(=O)CCc1c([nH]c2c1ccc(c2)Oc1ccccc1)C(=O)O
  • InChi: 1S/C18H15NO5/c20-16(21)9-8-14-13-7-6-12(24-11-4-2-1-3-5-11)10-15(13)19-17(14)18(22)23/h1-7,10,19H,8-9H2,(H,20,21)(H,22,23)
  • InChiKey: PKFAYNLUAGDMNZ-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

No synonyms found for this compound

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
Echinococcus granulosus presenilin enhancer 2 0.0619 0.0585 0.0585
Schistosoma mansoni gamma-secretase subunit aph-1 0.9864 1 1
Echinococcus granulosus Nicastrin 0.0322 0.0282 0.0282
Loa Loa (eye worm) hypothetical protein 0.0322 0.0282 0.0282
Brugia malayi Presenilin family protein 0.066 0.0626 0.0626
Echinococcus multilocularis presenilin 0.066 0.0626 0.0626
Trichomonas vaginalis Clan AD, family A22, presenilin-like aspartic peptidase 0.066 0.0626 1
Echinococcus multilocularis gamma secretase subunit aph 1 0.9864 1 1
Trypanosoma brucei Aph-1 protein, putative 0.3844 0.3869 1
Loa Loa (eye worm) hypothetical protein 0.0066 0.0021 0.0021
Schistosoma mansoni tar DNA-binding protein 0.0061 0.0017 0.0017
Toxoplasma gondii hypothetical protein 0.0231 0.019 1
Loa Loa (eye worm) RNA recognition domain-containing protein domain-containing protein 0.0061 0.0017 0.0017
Loa Loa (eye worm) presenilin spe-4 0.0231 0.019 0.019
Brugia malayi Calcitonin receptor-like protein seb-1 0.0096 0.0052 0.0052
Leishmania major presenilin-like aspartic peptidase, putative,presenilin-like aspartic peptidase, clan AD, family A22A, putative 0.066 0.0626 1
Brugia malayi latrophilin 2 splice variant baaae 0.0066 0.0021 0.0021
Trichomonas vaginalis Clan AD, family A22, presenilin-like aspartic peptidase 0.066 0.0626 1
Trypanosoma brucei Presenilin enhancer-2 subunit of gamma secretase, putative 0.0186 0.0144 0.0183
Loa Loa (eye worm) pigment dispersing factor receptor c 0.0096 0.0052 0.0052
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.0096 0.0052 0.0052
Brugia malayi hypothetical protein 0.0231 0.019 0.019
Trypanosoma brucei presenilin-like aspartic peptidase, putative 0.066 0.0626 0.1454
Loa Loa (eye worm) hypothetical protein 0.0096 0.0052 0.0052
Brugia malayi hypothetical protein 0.0322 0.0282 0.0282
Brugia malayi RNA binding protein 0.0061 0.0017 0.0017
Brugia malayi gamma-secretase subunit pen-2 0.0619 0.0585 0.0585
Schistosoma mansoni hypothetical protein 0.0066 0.0021 0.0021
Schistosoma mansoni tar DNA-binding protein 0.0061 0.0017 0.0017
Echinococcus multilocularis presenilin enhancer 2 0.0619 0.0585 0.0585
Brugia malayi hypothetical protein 0.0231 0.019 0.019
Schistosoma mansoni subfamily A22A unassigned peptidase (A22 family) 0.066 0.0626 0.0626
Mycobacterium tuberculosis Possible penicillin-binding protein 0.0226 0.0184 0.5
Echinococcus multilocularis Nicastrin 0.0322 0.0282 0.0282
Echinococcus granulosus gamma secretase subunit aph 1 0.9864 1 1
Loa Loa (eye worm) RNA binding protein 0.0061 0.0017 0.0017
Trypanosoma cruzi presenilin-like aspartic peptidase, putative 0.066 0.0626 0.1454
Brugia malayi Presenilin spe-4 0.0231 0.019 0.019
Loa Loa (eye worm) gamma-secretase subunit aph-1 0.9864 1 1
Loa Loa (eye worm) TAR-binding protein 0.0061 0.0017 0.0017
Schistosoma mansoni tar DNA-binding protein 0.0061 0.0017 0.0017
Trypanosoma cruzi Aph-1 protein, putative 0.3844 0.3869 1
Brugia malayi RNA recognition motif domain containing protein 0.0061 0.0017 0.0017
Schistosoma mansoni hypothetical protein 0.0322 0.0282 0.0282
Brugia malayi hypothetical protein 0.0231 0.019 0.019
Loa Loa (eye worm) gamma-secretase subunit pen-2 0.0619 0.0585 0.0585
Schistosoma mansoni tar DNA-binding protein 0.0061 0.0017 0.0017
Entamoeba histolytica presenilin 1 peptidase, putative 0.066 0.0626 1
Trypanosoma cruzi presenilin-like aspartic peptidase, putative 0.066 0.0626 0.1454
Brugia malayi Presenilin spe-4 0.0231 0.019 0.019
Echinococcus granulosus tar DNA binding protein 0.0061 0.0017 0.0017
Echinococcus granulosus presenilin 0.066 0.0626 0.0626
Schistosoma mansoni tar DNA-binding protein 0.0061 0.0017 0.0017
Brugia malayi hypothetical protein 0.0322 0.0282 0.0282
Trichomonas vaginalis Clan AD, family A22, presenilin-like aspartic peptidase 0.066 0.0626 1
Echinococcus multilocularis nicalin 0.0118 0.0075 0.0075
Brugia malayi TAR-binding protein 0.0061 0.0017 0.0017
Echinococcus multilocularis Nicastrin 0.0322 0.0282 0.0282
Trypanosoma cruzi Aph-1 protein, putative 0.3844 0.3869 1
Echinococcus granulosus nicalin 0.0118 0.0075 0.0075
Echinococcus multilocularis tar DNA binding protein 0.0061 0.0017 0.0017
Brugia malayi Presenilin spe-4 0.0231 0.019 0.019
Brugia malayi Presenilin-like protein At2g29900 0.0231 0.019 0.019

Activities

Activity type Activity value Assay description Source Reference
IC50 (binding) > 1000 uM Ability to compete with [3H]-glycine for strychnine-insensitive binding sites on rat cortical and hippocampal membrane ChEMBL. 1534125
IC50 (binding) > 1000 uM Ability to compete with [3H]-glycine for strychnine-insensitive binding sites on rat cortical and hippocampal membrane ChEMBL. 1534125

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

No external resources registered for this compound

Bibliographic References

1 literature reference was collected for this gene.

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