Detailed information for compound 1640705

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 357.758 | Formula: C16H15ClF3N3O
  • H donors: 3 H acceptors: 1 LogP: 3.32 Rotable bonds: 7
    Rule of 5 violations (Lipinski): 1
  • SMILES: NCCc1ccccc1NC(=O)Nc1ccc(c(c1)C(F)(F)F)Cl
  • InChi: 1S/C16H15ClF3N3O/c17-13-6-5-11(9-12(13)16(18,19)20)22-15(24)23-14-4-2-1-3-10(14)7-8-21/h1-6,9H,7-8,21H2,(H2,22,23,24)
  • InChiKey: VJFVCXVYJNCNIW-UHFFFAOYSA-N  

Network

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Synonyms

No synonyms found for this compound

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Homo sapiens transient receptor potential cation channel, subfamily V, member 1 Starlite/ChEMBL References

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
Echinococcus granulosus Upstream activation factor subunit UAF30 0.0065 1 1
Plasmodium falciparum SWIB/MDM2 domain-containing protein 0.0065 1 1
Toxoplasma gondii DNA topoisomerase domain-containing protein 0.0065 1 1
Brugia malayi SWIB/MDM2 domain containing protein 0.0065 1 1
Trypanosoma cruzi Zn-finger in Ran binding protein and others, putative 0.0023 0.3148 1
Brugia malayi Zn-finger in Ran binding protein and others containing protein 0.0023 0.3148 0.3148
Loa Loa (eye worm) hypothetical protein 0.0023 0.3148 0.3148
Trypanosoma cruzi hypothetical protein, conserved 0.0023 0.3148 1
Echinococcus multilocularis SWI:SNF matrix associated 0.0065 1 1
Schistosoma mansoni zinc finger protein 0.0023 0.3148 0.3148
Trypanosoma brucei Zn-finger in Ran binding protein and others/FYVE zinc finger, putative 0.0023 0.3148 1
Schistosoma mansoni RNA binding protein 0.0023 0.3148 0.3148
Loa Loa (eye worm) hypothetical protein 0.0004 0.0000003274 0.0000003274
Trypanosoma cruzi hypothetical protein, conserved 0.0023 0.3148 1
Echinococcus granulosus transient receptor potential cation channel 0.0004 0.0000003274 0.0000003274
Echinococcus multilocularis SWI:SNF matrix associated 0.0065 1 1
Echinococcus multilocularis SWI:SNF matrix associated 0.0065 1 1
Echinococcus granulosus Nuclear pore complex protein Nup153 0.0023 0.3148 0.3148
Trypanosoma cruzi mitochondrial RNA binding complex 1 subunit, putative 0.0023 0.3148 1
Brugia malayi brahma associated protein 60 kDa 0.0065 1 1
Echinococcus multilocularis Upstream activation factor subunit UAF30 0.0065 1 1
Brugia malayi Zn-finger in Ran binding protein and others containing protein 0.0023 0.3148 0.3148
Loa Loa (eye worm) hypothetical protein 0.0023 0.3148 0.3148
Echinococcus multilocularis Zinc finger, RanBP2 type 0.0023 0.3148 0.3148
Plasmodium vivax SWIB/MDM2 domain-containing protein, putative 0.0065 1 0.5
Leishmania major hypothetical protein, conserved 0.0023 0.3148 1
Toxoplasma gondii Zn-finger in Ran binding protein and others domain-containing protein 0.0023 0.3148 0.3148
Loa Loa (eye worm) hypothetical protein 0.0023 0.3148 0.3148
Loa Loa (eye worm) SWIB/MDM2 domain-containing protein 0.0065 1 1
Schistosoma mansoni hypothetical protein 0.0023 0.3148 0.3148
Onchocerca volvulus 0.0023 0.3148 0.3148
Onchocerca volvulus 0.0023 0.3148 0.3148
Toxoplasma gondii SWIB/MDM2 domain-containing protein 0.0065 1 1
Echinococcus multilocularis transient receptor potential cation channel 0.0004 0.0000003274 0.0000003274
Trypanosoma brucei hypothetical protein, conserved 0.0023 0.3148 1
Leishmania major hypothetical protein, conserved 0.0023 0.3148 1
Loa Loa (eye worm) hypothetical protein 0.0023 0.3148 0.3148
Plasmodium vivax hypothetical protein, conserved 0.0065 1 0.5
Onchocerca volvulus 0.0065 1 1
Echinococcus granulosus transient receptor potential cation channel 0.0004 0.0000003274 0.0000003274
Echinococcus granulosus SWI:SNF matrix associated 0.0065 1 1
Chlamydia trachomatis DNA topoisomerase I 0.0065 1 0.5
Schistosoma mansoni fusion 0.0023 0.3148 0.3148
Trypanosoma brucei mitochondrial RNA binding complex 1 subunit 0.0023 0.3148 1
Echinococcus multilocularis transient receptor potential cation channel 0.0004 0.0000003274 0.0000003274
Loa Loa (eye worm) hypothetical protein 0.0004 0.0000003274 0.0000003274
Onchocerca volvulus 0.0023 0.3148 0.3148
Onchocerca volvulus 0.0023 0.3148 0.3148
Echinococcus multilocularis Nuclear pore complex protein Nup153 0.0023 0.3148 0.3148
Brugia malayi Zn-finger in Ran binding protein and others containing protein 0.0023 0.3148 0.3148
Schistosoma mansoni TRABID protein (C64 family) 0.0023 0.3148 0.3148
Schistosoma mansoni transient receptor potential channel 0.0004 0.0000003274 0.0000003274
Trypanosoma brucei hypothetical protein, conserved 0.0023 0.3148 1
Trypanosoma cruzi Zn-finger in Ran binding protein and others, putative 0.0023 0.3148 1
Leishmania major hypothetical protein, conserved 0.0023 0.3148 1
Trypanosoma cruzi WLM domain containing protein, putative 0.0023 0.3148 1
Schistosoma mansoni brg-1 associated factor 0.0065 1 1
Schistosoma mansoni transient receptor potential channel 0.0004 0.0000003274 0.0000003274
Echinococcus granulosus Zinc finger RanBP2 type 0.0023 0.3148 0.3148
Trypanosoma cruzi hypothetical protein, conserved 0.0023 0.3148 1
Echinococcus multilocularis zinc finger protein Ran binding 0.0023 0.3148 0.3148
Echinococcus multilocularis ring and YY1 binding protein 0.0023 0.3148 0.3148
Echinococcus multilocularis transient receptor potential cation channel 0.0004 0.0000003274 0.0000003274
Leishmania major hypothetical protein, conserved 0.0023 0.3148 1
Toxoplasma gondii ran binding protein 0.0023 0.3148 0.3148
Onchocerca volvulus Ubiquitin thioesterase ZRANB1 homolog 0.0023 0.3148 0.3148
Trypanosoma cruzi WLM domain containing protein, putative 0.0023 0.3148 1
Schistosoma mansoni hypothetical protein 0.0065 1 1
Brugia malayi YY1-associated factor 2 0.0023 0.3148 0.3148
Trichomonas vaginalis conserved hypothetical protein 0.0065 1 1
Echinococcus granulosus ring and YY1 binding protein 0.0023 0.3148 0.3148
Trypanosoma cruzi mitochondrial RNA binding complex 1 subunit, putative 0.0023 0.3148 1
Plasmodium falciparum SWIB/MDM2 domain-containing protein 0.0065 1 1
Schistosoma mansoni hypothetical protein 0.0065 1 1
Leishmania major hypothetical protein, conserved 0.0023 0.3148 1
Brugia malayi olfactory channel protein osm-9 0.0004 0.0000003274 0.0000003274
Loa Loa (eye worm) hypothetical protein 0.0023 0.3148 0.3148
Loa Loa (eye worm) brahma associated protein 0.0065 1 1
Echinococcus granulosus zinc finger protein Ran binding 0.0023 0.3148 0.3148
Trypanosoma cruzi Zn-finger in Ran binding protein and others/FYVE zinc finger, putative 0.0023 0.3148 1
Chlamydia trachomatis SWIB complex protein 0.0065 1 0.5
Brugia malayi Zn-finger in Ran binding protein and others containing protein 0.0023 0.3148 0.3148
Schistosoma mansoni hypothetical protein 0.0065 1 1
Loa Loa (eye worm) hypothetical protein 0.0004 0.0000003274 0.0000003274
Echinococcus granulosus transient receptor potential cation channel 0.0004 0.0000003274 0.0000003274

Activities

Activity type Activity value Assay description Source Reference
IC50 (functional) > 1000 nM Antagonist activity at human TRPV1 expressed in CHOluc9aeq cells assessed as inhibition of capsaicin-stimulated response by aequorin and CRE-lucifearase reporter gene assay ChEMBL. 22525313

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

1 literature reference was collected for this gene.

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