Detailed information for compound 1815998

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 501.837 | Formula: C22H19ClF3NO7
  • H donors: 0 H acceptors: 4 LogP: 6.17 Rotable bonds: 12
    Rule of 5 violations (Lipinski): 2
  • SMILES: CCC/C(=C\C(=O)OCC)/OC(=O)c1cc(ccc1[N+](=O)[O-])Oc1ccc(cc1Cl)C(F)(F)F
  • InChi: 1S/C22H19ClF3NO7/c1-3-5-14(12-20(28)32-4-2)34-21(29)16-11-15(7-8-18(16)27(30)31)33-19-9-6-13(10-17(19)23)22(24,25)26/h6-12H,3-5H2,1-2H3/b14-12+
  • InChiKey: CBJFZNHXNLLGJY-WYMLVPIESA-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
Giardia lamblia PHD finger protein 15 0.0029 0.0562 0.5
Treponema pallidum ATP-dependent Clp protease proteolytic subunit 0.008 0.7968 1
Brugia malayi jmjC domain containing protein 0.0035 0.1435 0.1435
Brugia malayi Bromodomain containing protein 0.0029 0.0562 0.0562
Plasmodium falciparum ATP-dependent Clp protease proteolytic subunit 0.008 0.7968 1
Brugia malayi PHD-finger family protein 0.0029 0.0562 0.0562
Echinococcus multilocularis jumonji domain containing protein 0.004 0.2186 0.1721
Toxoplasma gondii ImpB/MucB/SamB family protein 0.0031 0.089 0.1117
Schistosoma mansoni jumonji domain containing protein 0.0075 0.7208 0.8973
Chlamydia trachomatis ATP-dependent Clp protease proteolytic subunit 0.008 0.7968 0.5
Echinococcus multilocularis Transcription factor, JmjC domain containing protein 0.0094 1 1
Chlamydia trachomatis ATP-dependent Clp protease proteolytic subunit 0.008 0.7968 0.5
Mycobacterium tuberculosis Probable ATP-dependent CLP protease proteolytic subunit 2 ClpP2 (endopeptidase CLP 2) 0.0052 0.3987 0.5
Echinococcus granulosus ATP dependent Clp protease proteolytic subunit 0.008 0.7968 0.7847
Mycobacterium leprae PROBABLE ATP-DEPENDENT CLP PROTEASE PROTEOLYTIC SUBUNIT 1 CLPP1 (ENDOPEPTIDASE CLP) 0.0052 0.3987 0.4744
Schistosoma mansoni DNA polymerase eta 0.0044 0.2784 0.3
Echinococcus multilocularis dna polymerase eta 0.0044 0.2784 0.2355
Toxoplasma gondii PHD-finger domain-containing protein 0.0029 0.0562 0.0705
Mycobacterium ulcerans ATP-dependent Clp protease proteolytic subunit 0.008 0.7968 0.5
Schistosoma mansoni jumonji/arid domain-containing protein 0.0035 0.1435 0.1178
Plasmodium vivax ATP-dependent Clp protease proteolytic subunit, putative 0.008 0.7968 1
Loa Loa (eye worm) hypothetical protein 0.0049 0.3525 0.4424
Schistosoma mansoni jumonji/arid domain-containing protein 0.0035 0.1435 0.1178
Plasmodium falciparum ATP-dependent Clp protease proteolytic subunit 0.0028 0.0394 0.0495
Toxoplasma gondii ATP-dependent Clp endopeptidase, proteolytic subunit ClpP domain-containing protein 0.008 0.7968 1
Mycobacterium leprae PROBABLE ATP-DEPENDENT CLP PROTEASE PROTEOLYTIC SUBUNIT 2 CLPP2 (ENDOPEPTIDASE CLP 2) 0.008 0.7968 1
Echinococcus granulosus lysine specific demethylase 5A 0.0035 0.1435 0.0925
Loa Loa (eye worm) jmjC domain-containing protein 0.0059 0.4979 0.6248
Mycobacterium tuberculosis Probable ATP-dependent CLP protease proteolytic subunit 1 ClpP1 (endopeptidase CLP) 0.0052 0.3987 0.5
Trypanosoma cruzi DNA polymerase eta, putative 0.0031 0.089 0.3198
Brugia malayi Probable ClpP-like protease 0.008 0.7968 0.7968
Loa Loa (eye worm) hypothetical protein 0.0044 0.2784 0.3494
Plasmodium vivax hypothetical protein, conserved 0.0029 0.0562 0.0705
Plasmodium falciparum phd finger protein, putative 0.0029 0.0562 0.0705
Echinococcus multilocularis peptidase Clp (S14 family) 0.0052 0.3987 0.363
Wolbachia endosymbiont of Brugia malayi ATP-dependent Clp protease proteolytic subunit 0.008 0.7968 0.5
Echinococcus multilocularis ATP dependent Clp protease proteolytic subunit 0.008 0.7968 0.7847
Loa Loa (eye worm) PHD-finger family protein 0.0029 0.0562 0.0705
Loa Loa (eye worm) hypothetical protein 0.008 0.7968 1
Toxoplasma gondii hypothetical protein 0.0028 0.0394 0.0495
Plasmodium vivax ATP-dependent Clp protease proteolytic subunit, putative 0.0028 0.0394 0.0495
Trypanosoma cruzi DNA polymerase eta, putative 0.0044 0.2784 1
Mycobacterium ulcerans ATP-dependent Clp protease proteolytic subunit 0.008 0.7968 0.5
Toxoplasma gondii PHD-finger domain-containing protein 0.0029 0.0562 0.0705
Echinococcus granulosus Transcription factor JmjC domain containing protein 0.0094 1 1
Echinococcus granulosus peptidase Clp S14 family 0.0052 0.3987 0.363
Trypanosoma brucei DNA polymerase eta, putative 0.0044 0.2784 1
Onchocerca volvulus Alhambra homolog 0.0029 0.0562 0.5
Echinococcus multilocularis lysine specific demethylase 5A 0.0035 0.1435 0.0925
Loa Loa (eye worm) hypothetical protein 0.0029 0.0562 0.0705
Echinococcus granulosus jumonji domain containing protein 0.004 0.2186 0.1721
Echinococcus granulosus dna polymerase eta 0.0044 0.2784 0.2355
Leishmania major DNA polymerase eta, putative 0.0031 0.089 0.3198
Leishmania major DNA polymerase eta, putative 0.0044 0.2784 1
Schistosoma mansoni peptidase Clp (S14 family) 0.008 0.7968 1
Brugia malayi ImpB/MucB/SamB family protein 0.0044 0.2784 0.2784
Toxoplasma gondii ATP-dependent Clp endopeptidase, proteolytic subunit ClpP domain-containing protein 0.008 0.7968 1
Loa Loa (eye worm) jmjC domain-containing protein 0.0035 0.1435 0.18

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.
 
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

No literature references available for this target.

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