Detailed information for compound 439221

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 282.294 | Formula: C16H14N2O3
  • H donors: 3 H acceptors: 3 LogP: 1.82 Rotable bonds: 2
    Rule of 5 violations (Lipinski): 1
  • SMILES: Oc1ccc(cc1)C[C@@H]1NC(=O)c2c(NC1=O)cccc2
  • InChi: 1S/C16H14N2O3/c19-11-7-5-10(6-8-11)9-14-16(21)17-13-4-2-1-3-12(13)15(20)18-14/h1-8,14,19H,9H2,(H,17,21)(H,18,20)/t14-/m0/s1
  • InChiKey: RQVPORCVZSOGPR-AWEZNQCLSA-N  


Substructure search Similarity search

Network

Hover on a compound node to display the structore

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) hypothetical protein 0.0055 0.2574 0.5553
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.0055 0.2574 0.5553
Brugia malayi calcium-independent alpha-latrotoxin receptor 2, putative 0.0017 0.0096 0.0208
Mycobacterium leprae PROBABLE ATP-DEPENDENT CLP PROTEASE PROTEOLYTIC SUBUNIT 1 CLPP1 (ENDOPEPTIDASE CLP) 0.0056 0.2676 0.2274
Loa Loa (eye worm) pigment dispersing factor receptor c 0.0055 0.2574 0.5553
Echinococcus multilocularis lamin dm0 0.0029 0.091 0.1793
Mycobacterium leprae PROBABLE ATP-DEPENDENT CLP PROTEASE PROTEOLYTIC SUBUNIT 2 CLPP2 (ENDOPEPTIDASE CLP 2) 0.0086 0.4634 0.434
Schistosoma mansoni peptidase Clp (S14 family) 0.0086 0.4634 1
Echinococcus multilocularis lamin 0.0029 0.091 0.1793
Brugia malayi latrophilin 2 splice variant baaae 0.0037 0.1427 0.3079
Brugia malayi Intermediate filament tail domain containing protein 0.0029 0.091 0.1964
Toxoplasma gondii ATP-dependent Clp endopeptidase, proteolytic subunit ClpP domain-containing protein 0.0086 0.4634 1
Loa Loa (eye worm) GTP-binding regulatory protein Gs alpha-S chain 0.005 0.2275 0.4909
Mycobacterium tuberculosis Probable aminotransferase 0.0166 1 1
Brugia malayi Latrophilin receptor protein 2 0.0017 0.0096 0.0208
Brugia malayi 4-aminobutyrate aminotransferase, mitochondrial precursor 0.0024 0.0521 0.1124
Loa Loa (eye worm) intermediate filament protein 0.0029 0.091 0.1964
Schistosoma mansoni intermediate filament proteins 0.0029 0.091 0.1793
Toxoplasma gondii hypothetical protein 0.0029 0.0908 0.0942
Mycobacterium leprae ATP-dependent Clp protease proteolytic subunit 1 0.0029 0.0908 0.0409
Echinococcus multilocularis musashi 0.0029 0.091 0.1793
Wolbachia endosymbiont of Brugia malayi ATP-dependent Clp protease proteolytic subunit 0.0086 0.4634 1
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.005 0.2275 0.48
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.005 0.2275 0.48
Brugia malayi Probable ClpP-like protease 0.0086 0.4634 1
Brugia malayi intermediate filament protein 0.0029 0.091 0.1964
Echinococcus granulosus ATP dependent Clp protease proteolytic subunit 0.0086 0.4634 1
Brugia malayi Calcitonin receptor-like protein seb-1 0.0055 0.2574 0.5553
Plasmodium falciparum ATP-dependent Clp protease proteolytic subunit 0.0029 0.0908 0.0942
Mycobacterium tuberculosis Probable ATP-dependent CLP protease proteolytic subunit 2 ClpP2 (endopeptidase CLP 2) 0.0056 0.2676 0.2274
Chlamydia trachomatis ATP-dependent Clp protease proteolytic subunit 0.0086 0.4634 1
Echinococcus granulosus lamin dm0 0.0029 0.091 0.1793
Loa Loa (eye worm) hypothetical protein 0.0029 0.0874 0.1887
Chlamydia trachomatis ATP-dependent Clp protease proteolytic subunit 0.0086 0.4634 1
Loa Loa (eye worm) hypothetical protein 0.0017 0.0096 0.0208
Treponema pallidum ATP-dependent Clp protease proteolytic subunit 0.0086 0.4634 1
Mycobacterium ulcerans ATP-dependent Clp protease proteolytic subunit 0.0086 0.4634 0.434
Plasmodium vivax ATP-dependent Clp protease proteolytic subunit, putative 0.0029 0.0908 0.0942
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.005 0.2275 0.48
Echinococcus granulosus peptidase Clp S14 family 0.0056 0.2676 0.5684
Plasmodium vivax ATP-dependent Clp protease proteolytic subunit, putative 0.0086 0.4634 1
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.005 0.2275 0.48
Trichomonas vaginalis acetylornithine aminotransferase, putative 0.0166 1 0.5
Toxoplasma gondii ATP-dependent Clp endopeptidase, proteolytic subunit ClpP domain-containing protein 0.0086 0.4634 1
Echinococcus granulosus intermediate filament protein 0.0029 0.091 0.1793
Loa Loa (eye worm) hypothetical protein 0.0029 0.091 0.1964
Brugia malayi GTP-binding regulatory protein Gs alpha-S chain, putative 0.005 0.2275 0.4909
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.005 0.2275 0.48
Plasmodium falciparum ATP-dependent Clp protease proteolytic subunit 0.0086 0.4634 1
Loa Loa (eye worm) hypothetical protein 0.0037 0.1427 0.3079
Schistosoma mansoni hypothetical protein 0.0037 0.1427 0.2932
Echinococcus granulosus ornithine aminotransferase 0.0024 0.0521 0.0935
Echinococcus granulosus Aminotransferase class III 0.0024 0.0521 0.0935
Mycobacterium ulcerans hypothetical protein 0.0166 1 1
Loa Loa (eye worm) hypothetical protein 0.0086 0.4634 1
Echinococcus granulosus lamin 0.0029 0.091 0.1793
Echinococcus multilocularis peptidase Clp (S14 family) 0.0056 0.2676 0.5684
Mycobacterium tuberculosis Adenosylmethionine-8-amino-7-oxononanoate aminotransferase BioA 0.0166 1 1
Mycobacterium ulcerans ATP-dependent Clp protease proteolytic subunit 0.0086 0.4634 0.434
Echinococcus multilocularis ornithine aminotransferase 0.0024 0.0521 0.0935
Onchocerca volvulus 0.0029 0.091 0.5
Schistosoma mansoni lamin 0.0029 0.091 0.1793
Mycobacterium tuberculosis Probable ATP-dependent CLP protease proteolytic subunit 1 ClpP1 (endopeptidase CLP) 0.0056 0.2676 0.2274
Echinococcus multilocularis ATP dependent Clp protease proteolytic subunit 0.0086 0.4634 1
Schistosoma mansoni ornithine--oxo-acid transaminase 0.0024 0.0521 0.0935
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.005 0.2275 0.48
Schistosoma mansoni lamin 0.0029 0.091 0.1793
Echinococcus multilocularis ornithine aminotransferase 0.0024 0.0521 0.0935
Mycobacterium ulcerans adenosylmethionine-8-amino-7-oxononanoate aminotransferase 0.0166 1 1
Echinococcus multilocularis Aminotransferase class III 0.0024 0.0521 0.0935
Onchocerca volvulus 0.0029 0.091 0.5
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.005 0.2275 0.48
Loa Loa (eye worm) intermediate filament tail domain-containing protein 0.0029 0.091 0.1964
Loa Loa (eye worm) latrophilin receptor protein 2 0.0017 0.0096 0.0208

Activities

Activity type Activity value Assay description Source Reference
Activity (functional) = 64.4 % Antileishmanial activity against antimony-sensitive Leishmania donovani 200016 proamastigotes in bone marrow-derived macrophages assessed as parasite suppression at 100 ug/ml ChEMBL. 17113290
Activity (functional) = 64.4 % Antileishmanial activity against antimony-sensitive Leishmania donovani 200016 proamastigotes in bone marrow-derived macrophages assessed as parasite suppression at 100 ug/ml ChEMBL. 17113290

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.

If you have references for this compound, please enter them in a user comment (below) or Contact us.