Detailed information for compound 435664

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 305.327 | Formula: C19H15NO3
  • H donors: 1 H acceptors: 3 LogP: 3.99 Rotable bonds: 4
    Rule of 5 violations (Lipinski): 1
  • SMILES: COc1ccccc1/C=C/c1ccc2c(n1)c(ccc2)C(=O)O
  • InChi: 1S/C19H15NO3/c1-23-17-8-3-2-5-13(17)9-11-15-12-10-14-6-4-7-16(19(21)22)18(14)20-15/h2-12H,1H3,(H,21,22)/b11-9+
  • InChiKey: XFQFDWBBIMCVCM-PKNBQFBNSA-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
Loa Loa (eye worm) intermediate filament tail domain-containing protein 0.0026 0.0606 0.0606
Entamoeba histolytica protein tyrosine phosphatase, putative 0.0216 1 1
Schistosoma mansoni hypothetical protein 0.0166 0.7502 1
Schistosoma mansoni intermediate filament proteins 0.0026 0.0606 0.0511
Echinococcus granulosus lamin 0.0026 0.0606 0.0511
Trypanosoma cruzi hypothetical protein, conserved 0.0067 0.2599 1
Giardia lamblia Low molecular weight protein-tyrosine-phosphatase 0.0216 1 1
Echinococcus multilocularis lamin dm0 0.0026 0.0606 0.0511
Trichomonas vaginalis low molecular weight protein-tyrosine-phosphatase, putative 0.0216 1 1
Mycobacterium ulcerans phosphotyrosine protein phosphatase PtpA 0.0216 1 1
Loa Loa (eye worm) hypothetical protein 0.0026 0.0606 0.0606
Mycobacterium leprae PROBABLE ATP-DEPENDENT CLP PROTEASE PROTEOLYTIC SUBUNIT 1 CLPP1 (ENDOPEPTIDASE CLP) 0.005 0.1782 0.4744
Loa Loa (eye worm) hypothetical protein 0.0077 0.3086 0.3086
Brugia malayi intermediate filament protein 0.0026 0.0606 0.0606
Treponema pallidum ATP-dependent Clp protease proteolytic subunit 0.0077 0.3086 1
Trichomonas vaginalis low molecular weight protein tyrosine phosphatase, putative 0.0216 1 1
Toxoplasma gondii ATP-dependent Clp endopeptidase, proteolytic subunit ClpP domain-containing protein 0.0077 0.3086 1
Mycobacterium leprae PROBABLE ATP-DEPENDENT CLP PROTEASE PROTEOLYTIC SUBUNIT 2 CLPP2 (ENDOPEPTIDASE CLP 2) 0.0077 0.3086 1
Mycobacterium tuberculosis Probable ATP-dependent CLP protease proteolytic subunit 1 ClpP1 (endopeptidase CLP) 0.005 0.1782 0.2392
Trichomonas vaginalis low molecular weight protein-tyrosine-phosphatase, putative 0.0216 1 1
Chlamydia trachomatis ATP-dependent Clp protease proteolytic subunit 0.0077 0.3086 0.5
Mycobacterium tuberculosis Phosphotyrosine protein phosphatase PtpA (protein-tyrosine-phosphatase) (PTPase) (LMW phosphatase) 0.015 0.6702 1
Plasmodium falciparum ATP-dependent Clp protease proteolytic subunit 0.0077 0.3086 1
Brugia malayi ImpB/MucB/SamB family protein 0.0019 0.0235 0.0235
Schistosoma mansoni peptidase Clp (S14 family) 0.0077 0.3086 0.3923
Trichomonas vaginalis low molecular weight protein tyrosine phosphatase, putative 0.0216 1 1
Echinococcus multilocularis musashi 0.0026 0.0606 0.0511
Echinococcus granulosus intermediate filament protein 0.0026 0.0606 0.0511
Schistosoma mansoni hypothetical protein 0.0166 0.7502 1
Loa Loa (eye worm) hypothetical protein 0.0019 0.0235 0.0235
Loa Loa (eye worm) intermediate filament protein 0.0026 0.0606 0.0606
Schistosoma mansoni lamin 0.0026 0.0606 0.0511
Echinococcus multilocularis lamin 0.0026 0.0606 0.0511
Brugia malayi Probable ClpP-like protease 0.0077 0.3086 0.3086
Brugia malayi ImpB/MucB/SamB family protein 0.0019 0.0235 0.0235
Trichomonas vaginalis low molecular weight protein tyrosine phosphatase, putative 0.0067 0.2599 0.2421
Toxoplasma gondii ATP-dependent Clp endopeptidase, proteolytic subunit ClpP domain-containing protein 0.0077 0.3086 1
Onchocerca volvulus 0.0216 1 1
Echinococcus multilocularis peptidase Clp (S14 family) 0.005 0.1782 0.2129
Echinococcus granulosus ATP dependent Clp protease proteolytic subunit 0.0077 0.3086 0.3923
Plasmodium vivax ATP-dependent Clp protease proteolytic subunit, putative 0.0077 0.3086 1
Trichomonas vaginalis low molecular weight protein-tyrosine-phosphatase, putative 0.0216 1 1
Leishmania major hypothetical protein, conserved 0.0067 0.2599 1
Mycobacterium ulcerans ATP-dependent Clp protease proteolytic subunit 0.0077 0.3086 0.2919
Chlamydia trachomatis ATP-dependent Clp protease proteolytic subunit 0.0077 0.3086 0.5
Wolbachia endosymbiont of Brugia malayi ATP-dependent Clp protease proteolytic subunit 0.0077 0.3086 0.5
Brugia malayi Intermediate filament tail domain containing protein 0.0026 0.0606 0.0606
Trichomonas vaginalis low molecular weight protein tyrosine phosphatase, putative 0.0216 1 1
Loa Loa (eye worm) ImpB/MucB/SamB family protein 0.0019 0.0235 0.0235
Trypanosoma brucei low molecular weight protein tyrosine phosphatase, putative 0.0067 0.2599 1
Loa Loa (eye worm) phosphotyrosine protein phosphatase 0.0216 1 1
Entamoeba histolytica protein tyrosine phosphatase, putative 0.0216 1 1
Loa Loa (eye worm) hypothetical protein 0.0026 0.0582 0.0582
Trichomonas vaginalis low molecular weight protein tyrosine phosphatase, putative 0.0067 0.2599 0.2421
Schistosoma mansoni lamin 0.0026 0.0606 0.0511
Mycobacterium ulcerans ATP-dependent Clp protease proteolytic subunit 0.0077 0.3086 0.2919
Mycobacterium tuberculosis Probable ATP-dependent CLP protease proteolytic subunit 2 ClpP2 (endopeptidase CLP 2) 0.005 0.1782 0.2392
Echinococcus granulosus lamin dm0 0.0026 0.0606 0.0511
Echinococcus granulosus peptidase Clp S14 family 0.005 0.1782 0.2129
Echinococcus multilocularis ATP dependent Clp protease proteolytic subunit 0.0077 0.3086 0.3923
Trypanosoma cruzi hypothetical protein, conserved 0.0067 0.2599 1
Echinococcus multilocularis geminin 0.0166 0.7502 1
Echinococcus granulosus geminin 0.0166 0.7502 1

Activities

Activity type Activity value Assay description Source Reference
IC50 (functional) 0 Inhibition of photosynthesis in spinach chloroplast ChEMBL. 17142046
IC50 (functional) 0 Inhibition of Chlorella vulgaris Beij assessed as reduction of chlorophyll content ChEMBL. 17142046
log K = 1.1922 Lipophilicity, log K of the compound ChEMBL. 17142046

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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