Detailed information for compound 373880

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 360.449 | Formula: C23H24N2O2
  • H donors: 2 H acceptors: 3 LogP: 4.13 Rotable bonds: 6
    Rule of 5 violations (Lipinski): 1
  • SMILES: OCc1cccnc1c1ccc(cc1)C(=O)Nc1ccc(cc1)C(C)(C)C
  • InChi: 1S/C23H24N2O2/c1-23(2,3)19-10-12-20(13-11-19)25-22(27)17-8-6-16(7-9-17)21-18(15-26)5-4-14-24-21/h4-14,26H,15H2,1-3H3,(H,25,27)
  • InChiKey: FUKIMKAXNJAMDX-UHFFFAOYSA-N  


Substructure search Similarity search

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
Rattus norvegicus Vanilloid receptor 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
Loa Loa (eye worm) hypothetical protein 0.0032 0.0066 0.0016
Toxoplasma gondii ABC1 family protein 0.0032 0.0066 1
Echinococcus multilocularis beta LACTamase domain containing family member 0.0032 0.0066 0.0015
Schistosoma mansoni family S12 unassigned peptidase (S12 family) 0.0032 0.0066 0.0015
Onchocerca volvulus 0.0032 0.0066 0.0013
Echinococcus multilocularis ATP dependent DNA helicase PIF1 0.0227 0.8945 1
Brugia malayi Probable ATP-dependent helicase DHX35 0.0032 0.0083 0.0036
Onchocerca volvulus 0.0032 0.0066 0.0013
Brugia malayi beta-lactamase 0.0032 0.0066 0.0016
Trypanosoma cruzi DNA repair and recombination helicase protein PIF6, putative 0.0227 0.8945 1
Trypanosoma cruzi DNA repair and recombination helicase protein PIF7, putative 0.0227 0.8945 1
Loa Loa (eye worm) hypothetical protein 0.0032 0.0083 0.0036
Giardia lamblia Rrm3p helicase 0.0227 0.8945 0.5
Loa Loa (eye worm) hypothetical protein 0.0032 0.0066 0.0016
Loa Loa (eye worm) hypothetical protein 0.0032 0.0066 0.0016
Trichomonas vaginalis set domain proteins, putative 0.0249 0.9987 1
Mycobacterium ulcerans lipase LipD 0.0032 0.0066 0.5
Brugia malayi beta-lactamase family protein 0.0032 0.0066 0.0016
Leishmania major PIF1 helicase-like protein, putative,DNA repair and recombination protein, mitochondrial precursor, putative 0.0227 0.8945 1
Trypanosoma brucei DNA repair and recombination helicase protein PIF6 0.0227 0.8945 1
Loa Loa (eye worm) hypothetical protein 0.0032 0.0066 0.0016
Echinococcus granulosus histone lysine methyltransferase setb 0.0031 0.0053 0.0059
Mycobacterium ulcerans esterase/lipase LipP 0.0032 0.0066 0.5
Trypanosoma brucei DNA repair and recombination helicase protein PIF7 0.0227 0.8945 1
Entamoeba histolytica DNA repair and recombination protein, putative 0.0227 0.8945 0.5
Brugia malayi Pre-SET motif family protein 0.0219 0.8607 1
Entamoeba histolytica hypothetical protein, conserved 0.0227 0.8945 0.5
Brugia malayi Hypothetical 52.5 kDa protein ZK945.1 in chromosome II, putative 0.0032 0.0066 0.0016
Schistosoma mansoni hypothetical protein 0.0227 0.8945 1
Plasmodium vivax hypothetical protein, conserved 0.0032 0.0066 1
Trichomonas vaginalis conserved hypothetical protein 0.0227 0.8945 0.895
Mycobacterium leprae Probable lipase LipE 0.0032 0.0066 0.5
Brugia malayi beta-lactamase family protein 0.0032 0.0066 0.0016
Loa Loa (eye worm) DEAH box polypeptide 35 0.0032 0.0083 0.0036
Mycobacterium leprae conserved hypothetical protein 0.0032 0.0066 0.5
Mycobacterium ulcerans hypothetical protein 0.0032 0.0066 0.5
Mycobacterium ulcerans beta-lactamase 0.0032 0.0066 0.5
Schistosoma mansoni family S12 unassigned peptidase (S12 family) 0.0032 0.0066 0.0015
Mycobacterium ulcerans fusion of enoyl-CoA hydratase, EchA21 and lipase, LipE 0.0032 0.0066 0.5
Loa Loa (eye worm) hypothetical protein 0.0032 0.0066 0.0016
Mycobacterium tuberculosis Possible penicillin-binding protein 0.0203 0.7857 1
Loa Loa (eye worm) pre-SET domain-containing protein family protein 0.0219 0.8607 1
Echinococcus granulosus ATP dependent DNA helicase PIF1 0.0227 0.8945 1
Leishmania major PIF1 helicase-like protein, putative,DNA repair and recombination protein, mitochondrial precursor, putative 0.0227 0.8945 1
Loa Loa (eye worm) hypothetical protein 0.0032 0.0066 0.0016
Loa Loa (eye worm) beta-lactamase 0.0032 0.0066 0.0016
Echinococcus granulosus beta LACTamase domain containing family member 0.0032 0.0066 0.0074
Loa Loa (eye worm) beta-LACTamase domain containing family member 0.0032 0.0066 0.0016
Trypanosoma cruzi DNA repair and recombination helicase protein PIF7, putative 0.0227 0.8945 1
Onchocerca volvulus 0.0032 0.0066 0.0013

Activities

Activity type Activity value Assay description Source Reference
IC50 (functional) = 88 nM Antagonist activity against low pH(5.0-5.5)-activated rat VR1 ChEMBL. 16870426
IC50 (functional) = 88 nM Antagonist activity against low pH(5.0-5.5)-activated rat VR1 ChEMBL. 16870426
IC50 (functional) = 168 nM Antagonist activity against capsaicin-activated human VR1 by FLIPR assay ChEMBL. 16870426
IC50 (functional) = 168 nM Antagonist activity against capsaicin-activated human VR1 by FLIPR assay ChEMBL. 16870426

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.

If you have references for this compound, please enter them in a user comment (below) or Contact us.