Detailed information for compound 1513626

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 287.716 | Formula: C16H11ClFNO
  • H donors: 0 H acceptors: 1 LogP: 3.79 Rotable bonds: 3
    Rule of 5 violations (Lipinski): 1
  • SMILES: O=Cc1cn(c2c1ccc(c2)F)Cc1ccc(cc1)Cl
  • InChi: 1S/C16H11ClFNO/c17-13-3-1-11(2-4-13)8-19-9-12(10-20)15-6-5-14(18)7-16(15)19/h1-7,9-10H,8H2
  • InChiKey: ZDJBYYMQCLSVEI-UHFFFAOYSA-N  

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 0.0327 0.4791 0.5
Loa Loa (eye worm) SWIB/MDM2 domain-containing protein 0.0327 0.4791 1
Trypanosoma cruzi mitochondrial RNA binding complex 1 subunit, putative 0.0116 0.1584 1
Trypanosoma cruzi WLM domain containing protein, putative 0.0116 0.1584 1
Trypanosoma cruzi Zn-finger in Ran binding protein and others, putative 0.0116 0.1584 1
Brugia malayi brahma associated protein 60 kDa 0.0327 0.4791 1
Toxoplasma gondii DNA topoisomerase domain-containing protein 0.0327 0.4791 1
Brugia malayi YY1-associated factor 2 0.0116 0.1584 0.3306
Brugia malayi Zn-finger in Ran binding protein and others containing protein 0.0116 0.1584 0.3306
Trypanosoma brucei Zn-finger in Ran binding protein and others/FYVE zinc finger, putative 0.0116 0.1584 1
Leishmania major hypothetical protein, conserved 0.0116 0.1584 1
Schistosoma mansoni hypothetical protein 0.0327 0.4791 1
Loa Loa (eye worm) hypothetical protein 0.0116 0.1584 0.3306
Echinococcus granulosus Upstream activation factor subunit UAF30 0.0327 0.4791 0.381
Loa Loa (eye worm) hypothetical protein 0.0098 0.1304 0.2722
Plasmodium falciparum SWIB/MDM2 domain-containing protein 0.0327 0.4791 1
Chlamydia trachomatis DNA topoisomerase I 0.0327 0.4791 0.5
Schistosoma mansoni brg-1 associated factor 0.0327 0.4791 1
Schistosoma mansoni hypothetical protein 0.0327 0.4791 1
Trypanosoma cruzi mitochondrial RNA binding complex 1 subunit, putative 0.0116 0.1584 1
Brugia malayi brahma associated protein 60 kDa 0.0327 0.4791 1
Trypanosoma brucei mitochondrial RNA binding complex 1 subunit 0.0116 0.1584 1
Loa Loa (eye worm) brahma associated protein 0.0327 0.4791 1
Toxoplasma gondii SWIB/MDM2 domain-containing protein 0.0327 0.4791 1
Trypanosoma cruzi hypothetical protein, conserved 0.0116 0.1584 1
Schistosoma mansoni TRABID protein (C64 family) 0.0116 0.1584 0.0802
Echinococcus multilocularis SWI:SNF matrix associated 0.0327 0.4791 0.381
Leishmania major hypothetical protein, conserved 0.0116 0.1584 1
Onchocerca volvulus Ubiquitin thioesterase ZRANB1 homolog 0.0116 0.1584 0.0802
Loa Loa (eye worm) hypothetical protein 0.0116 0.1584 0.3306
Trypanosoma brucei hypothetical protein, conserved 0.0116 0.1584 1
Schistosoma mansoni RNA binding protein 0.0116 0.1584 0.0802
Schistosoma mansoni hypothetical protein 0.0327 0.4791 1
Brugia malayi Zn-finger in Ran binding protein and others containing protein 0.0116 0.1584 0.3306
Schistosoma mansoni fusion 0.0116 0.1584 0.0802
Schistosoma mansoni hypothetical protein 0.0116 0.1584 0.0802
Trypanosoma brucei hypothetical protein, conserved 0.0116 0.1584 1
Echinococcus granulosus SWI:SNF matrix associated 0.0327 0.4791 0.381
Loa Loa (eye worm) hypothetical protein 0.0116 0.1584 0.3306
Echinococcus multilocularis SWI:SNF matrix associated 0.0327 0.4791 0.381
Onchocerca volvulus 0.0116 0.1584 0.0802
Onchocerca volvulus 0.0116 0.1584 0.0802
Leishmania major hypothetical protein, conserved 0.0116 0.1584 1
Brugia malayi Zn-finger in Ran binding protein and others containing protein 0.0116 0.1584 0.3306
Onchocerca volvulus 0.0116 0.1584 0.0802
Trypanosoma cruzi hypothetical protein, conserved 0.0116 0.1584 1
Leishmania major hypothetical protein, conserved 0.0116 0.1584 1
Onchocerca volvulus 0.0116 0.1584 0.0802
Trypanosoma cruzi Zn-finger in Ran binding protein and others/FYVE zinc finger, putative 0.0116 0.1584 1
Brugia malayi Zn-finger in Ran binding protein and others containing protein 0.0116 0.1584 0.3306
Trypanosoma cruzi hypothetical protein, conserved 0.0116 0.1584 1
Loa Loa (eye worm) hypothetical protein 0.0116 0.1584 0.3306
Brugia malayi SWIB/MDM2 domain containing protein 0.0327 0.4791 1
Trypanosoma cruzi Zn-finger in Ran binding protein and others, putative 0.0116 0.1584 1
Loa Loa (eye worm) hypothetical protein 0.0116 0.1584 0.3306
Onchocerca volvulus 0.0327 0.4791 1
Chlamydia trachomatis SWIB complex protein 0.0327 0.4791 0.5
Schistosoma mansoni zinc finger protein 0.0116 0.1584 0.0802
Plasmodium falciparum SWIB/MDM2 domain-containing protein 0.0327 0.4791 1
Trichomonas vaginalis conserved hypothetical protein 0.0327 0.4791 0.5
Leishmania major hypothetical protein, conserved 0.0116 0.1584 1
Trypanosoma cruzi WLM domain containing protein, putative 0.0116 0.1584 1
Plasmodium vivax SWIB/MDM2 domain-containing protein, putative 0.0327 0.4791 0.5
Echinococcus multilocularis SWI:SNF matrix associated 0.0327 0.4791 0.381
Echinococcus multilocularis Upstream activation factor subunit UAF30 0.0327 0.4791 0.381

Activities

Activity type Activity value Assay description Source Reference
IC50 (functional) = 0.12 uM Cytotoxicity against human H460 cells assessed as cell viability after 3 days by sulforhodamine B assay ChEMBL. 21443218

Phenotypes

Whole-cell/tissue/organism interactions

Species name Source Reference Is orphan
Homo sapiens ChEMBL23 21443218

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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