Detailed information for compound 1792229

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 542.96 | Formula: C26H18ClF3N4O2S
  • H donors: 1 H acceptors: 4 LogP: 6.26 Rotable bonds: 5
    Rule of 5 violations (Lipinski): 2
  • SMILES: Cc1ccc(cc1)c1nc2n(nc(c2c(c1)C(F)(F)F)c1ccc(cc1)Cl)c1ccc(cc1)S(=O)(=O)N
  • InChi: 1S/C26H18ClF3N4O2S/c1-15-2-4-16(5-3-15)22-14-21(26(28,29)30)23-24(17-6-8-18(27)9-7-17)33-34(25(23)32-22)19-10-12-20(13-11-19)37(31,35)36/h2-14H,1H3,(H2,31,35,36)
  • InChiKey: ZRJHXDWEFWLSJD-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
Plasmodium vivax hypothetical protein, conserved 0.0325 0.0351 0.5
Onchocerca volvulus 0.1342 0.8519 0.5
Schistosoma mansoni amine oxidase 0.0325 0.0351 0.0454
Brugia malayi SWIRM domain containing protein 0.1342 0.8519 1
Plasmodium vivax hypothetical protein, conserved 0.0325 0.0351 0.5
Toxoplasma gondii histone lysine-specific demethylase 0.0325 0.0351 0.5
Plasmodium falciparum conserved Plasmodium protein, unknown function 0.0325 0.0351 0.5
Plasmodium vivax protoporphyrinogen oxidase, putative 0.0325 0.0351 0.5
Schistosoma mansoni Lysine-specific histone demethylase 1 0.1245 0.7735 1
Plasmodium falciparum protoporphyrinogen oxidase 0.0325 0.0351 0.5
Mycobacterium leprae PROBABLE PROTOPORPHYRINOGEN OXIDASE HEMY (PROTOPORPHYRINOGEN-IX OXIDASE) (PROTOPORPHYRINOGENASE) (PPO) 0.0325 0.0351 0.5
Plasmodium falciparum lysine-specific histone demethylase 1, putative 0.0325 0.0351 0.5
Echinococcus multilocularis lysine specific histone demethylase 1A 0.1245 0.7735 1
Loa Loa (eye worm) hypothetical protein 0.1245 0.7735 0.904
Mycobacterium ulcerans flavin-containing monoamine oxidase AofH 0.1527 1 1
Loa Loa (eye worm) hypothetical protein 0.1342 0.8519 1
Toxoplasma gondii histone lysine-specific demethylase LSD1/BHC110/KDMA1A 0.0325 0.0351 0.5
Trypanosoma cruzi UDP-galactopyranose mutase 0.0325 0.0351 0.5
Loa Loa (eye worm) hypothetical protein 0.0423 0.1135 0.096
Chlamydia trachomatis protoporphyrinogen oxidase 0.0325 0.0351 0.5
Mycobacterium tuberculosis Probable flavin-containing monoamine oxidase AofH (amine oxidase) (MAO) 0.1201 0.7386 1
Echinococcus granulosus lysine specific histone demethylase 1A 0.1245 0.7735 1
Loa Loa (eye worm) hypothetical protein 0.1245 0.7735 0.904
Plasmodium vivax lysine-specific histone demethylase 1, putative 0.0325 0.0351 0.5
Trypanosoma cruzi UDP-galactopyranose mutase 0.0325 0.0351 0.5
Leishmania major UDP-galactopyranose mutase 0.0325 0.0351 0.5
Brugia malayi amine oxidase, flavin-containing family protein 0.0423 0.1135 0.096
Schistosoma mansoni amine oxidase 0.0325 0.0351 0.0454
Schistosoma mansoni Protoporphyrinogen oxidase chloroplast/mitochondrial precursor 0.0325 0.0351 0.0454

Activities

Activity type Activity value Assay description Source Reference
GI (functional) Antibacterial activity against Escherichia coli MTCC 1652 assessed as growth inhibition at 4 mg/mL after 24 hr by agar well diffusion method ChEMBL. No reference
GI (functional) Antifungal activity against Candida albicans MTCC 227 assessed as growth inhibition at 4 mg/mL after 24 hr by agar well diffusion method ChEMBL. No reference
GI (functional) Antifungal activity against Saccharomyces cerevisiae MTCC 170 assessed as growth inhibition at 4 mg/mL after 24 hr by agar well diffusion method ChEMBL. No reference

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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