Detailed information for compound 773262

Basic information

Technical information
  • TDR Targets ID: 773262
  • Name: BAS 07589608
  • MW: 394.808 | Formula: C21H15ClN2O4
  • H donors: 1 H acceptors: 3 LogP: 3.65 Rotable bonds: 6
    Rule of 5 violations (Lipinski): 1
  • SMILES: COC(=O)c1ccc(c(c1)NC(=O)Cn1c(=O)c2c3c1cccc3ccc2)Cl
  • InChi: 1S/C21H15ClN2O4/c1-28-21(27)13-8-9-15(22)16(10-13)23-18(25)11-24-17-7-3-5-12-4-2-6-14(19(12)17)20(24)26/h2-10H,11H2,1H3,(H,23,25)
  • InChiKey: OHUPGOAWEWTSAF-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

  • ZINC00810398

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
Mycobacterium leprae PROBABLE ATP-DEPENDENT CLP PROTEASE PROTEOLYTIC SUBUNIT 2 CLPP2 (ENDOPEPTIDASE CLP 2) 0.0076 0.7454 1
Loa Loa (eye worm) hypothetical protein 0.0076 0.7454 1
Echinococcus granulosus peregrin 0.0029 0.0694 0.0694
Trypanosoma brucei DNA repair and recombination helicase protein PIF7 0.0063 0.5562 1
Toxoplasma gondii ATP-dependent Clp endopeptidase, proteolytic subunit ClpP domain-containing protein 0.0076 0.7454 1
Trypanosoma brucei DNA repair and recombination helicase protein PIF6 0.0063 0.5562 1
Chlamydia trachomatis ATP-dependent Clp protease proteolytic subunit 0.0076 0.7454 0.5
Echinococcus multilocularis peregrin 0.0029 0.0694 0.0694
Echinococcus granulosus ATP dependent DNA helicase PIF1 0.0063 0.5562 0.5562
Brugia malayi Probable ClpP-like protease 0.0076 0.7454 0.7454
Plasmodium falciparum ATP-dependent Clp protease proteolytic subunit 0.0026 0.0342 0.0459
Loa Loa (eye worm) hypothetical protein 0.0049 0.3616 0.4851
Echinococcus granulosus jumonji domain containing protein 0.004 0.2296 0.2296
Echinococcus multilocularis ATP dependent DNA helicase PIF1 0.0063 0.5562 0.5562
Echinococcus granulosus peptidase Clp S14 family 0.005 0.3716 0.3716
Mycobacterium tuberculosis Probable ATP-dependent CLP protease proteolytic subunit 1 ClpP1 (endopeptidase CLP) 0.005 0.3716 0.5
Schistosoma mansoni jumonji/arid domain-containing protein 0.0035 0.1555 0.2086
Brugia malayi jmjC domain containing protein 0.0035 0.1555 0.1555
Chlamydia trachomatis ATP-dependent Clp protease proteolytic subunit 0.0076 0.7454 0.5
Toxoplasma gondii ATP-dependent Clp endopeptidase, proteolytic subunit ClpP domain-containing protein 0.0076 0.7454 1
Trichomonas vaginalis conserved hypothetical protein 0.0063 0.5562 1
Schistosoma mansoni bromodomain-containing nuclear protein 1 brd1 0.0029 0.0694 0.0931
Echinococcus granulosus ATP dependent Clp protease proteolytic subunit 0.0076 0.7454 0.7454
Toxoplasma gondii hypothetical protein 0.0026 0.0342 0.0459
Treponema pallidum ATP-dependent Clp protease proteolytic subunit 0.0076 0.7454 1
Loa Loa (eye worm) hypothetical protein 0.0029 0.0694 0.0931
Loa Loa (eye worm) jmjC domain-containing protein 0.0035 0.1555 0.2086
Echinococcus multilocularis peptidase Clp (S14 family) 0.005 0.3716 0.3716
Echinococcus granulosus Transcription factor JmjC domain containing protein 0.0094 1 1
Plasmodium vivax ATP-dependent Clp protease proteolytic subunit, putative 0.0026 0.0342 0.0459
Toxoplasma gondii PHD-finger domain-containing protein 0.0029 0.0694 0.0931
Mycobacterium leprae PROBABLE ATP-DEPENDENT CLP PROTEASE PROTEOLYTIC SUBUNIT 1 CLPP1 (ENDOPEPTIDASE CLP) 0.005 0.3716 0.4744
Mycobacterium ulcerans ATP-dependent Clp protease proteolytic subunit 0.0076 0.7454 0.5
Onchocerca volvulus Alhambra homolog 0.0029 0.0694 0.5
Schistosoma mansoni hypothetical protein 0.0063 0.5562 0.7461
Brugia malayi PHD-finger family protein 0.0029 0.0694 0.0694
Mycobacterium ulcerans ATP-dependent Clp protease proteolytic subunit 0.0076 0.7454 0.5
Leishmania major PIF1 helicase-like protein, putative,DNA repair and recombination protein, mitochondrial precursor, putative 0.0063 0.5562 1
Echinococcus granulosus lysine specific demethylase 5A 0.0035 0.1555 0.1555
Entamoeba histolytica hypothetical protein, conserved 0.0063 0.5562 1
Leishmania major PIF1 helicase-like protein, putative,DNA repair and recombination protein, mitochondrial precursor, putative 0.0063 0.5562 1
Trypanosoma cruzi DNA repair and recombination helicase protein PIF6, putative 0.0063 0.5562 1
Schistosoma mansoni jumonji domain containing protein 0.0075 0.7247 0.9722
Mycobacterium tuberculosis Probable ATP-dependent CLP protease proteolytic subunit 2 ClpP2 (endopeptidase CLP 2) 0.005 0.3716 0.5
Schistosoma mansoni hypothetical protein 0.0029 0.0694 0.0931
Echinococcus granulosus PHD finger protein rhinoceros 0.0029 0.0694 0.0694
Schistosoma mansoni jumonji/arid domain-containing protein 0.0035 0.1555 0.2086
Echinococcus multilocularis PHD finger protein rhinoceros 0.0029 0.0694 0.0694
Giardia lamblia PHD finger protein 15 0.0029 0.0694 0.1248
Echinococcus multilocularis Transcription factor, JmjC domain containing protein 0.0094 1 1
Echinococcus multilocularis ATP dependent Clp protease proteolytic subunit 0.0076 0.7454 0.7454
Loa Loa (eye worm) jmjC domain-containing protein 0.0059 0.5049 0.6774
Toxoplasma gondii PHD-finger domain-containing protein 0.0029 0.0694 0.0931
Plasmodium vivax ATP-dependent Clp protease proteolytic subunit, putative 0.0076 0.7454 1
Echinococcus multilocularis lysine specific demethylase 5A 0.0035 0.1555 0.1555
Echinococcus multilocularis jumonji domain containing protein 0.004 0.2296 0.2296
Schistosoma mansoni peptidase Clp (S14 family) 0.0076 0.7454 1
Trypanosoma cruzi DNA repair and recombination helicase protein PIF7, putative 0.0063 0.5562 1
Plasmodium vivax hypothetical protein, conserved 0.0029 0.0694 0.0931
Brugia malayi Bromodomain containing protein 0.0029 0.0694 0.0694
Entamoeba histolytica DNA repair and recombination protein, putative 0.0063 0.5562 1
Trypanosoma cruzi DNA repair and recombination helicase protein PIF7, putative 0.0063 0.5562 1
Wolbachia endosymbiont of Brugia malayi ATP-dependent Clp protease proteolytic subunit 0.0076 0.7454 0.5
Loa Loa (eye worm) PHD-finger family protein 0.0029 0.0694 0.0931
Plasmodium falciparum phd finger protein, putative 0.0029 0.0694 0.0931
Plasmodium falciparum ATP-dependent Clp protease proteolytic subunit 0.0076 0.7454 1
Giardia lamblia Rrm3p helicase 0.0063 0.5562 1

Activities

No activities found for this compound.

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.
 
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External resources for this compound

Bibliographic References

No literature references available for this target.

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