Detailed information for compound 1660915

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 384.512 | Formula: C23H32N2O3
  • H donors: 2 H acceptors: 1 LogP: 3.75 Rotable bonds: 11
    Rule of 5 violations (Lipinski): 1
  • SMILES: NCCOc1ccc(cc1OC)C(C(=O)NCCCc1ccc(c(c1)C)C)C
  • InChi: 1S/C23H32N2O3/c1-16-7-8-19(14-17(16)2)6-5-12-25-23(26)18(3)20-9-10-21(28-13-11-24)22(15-20)27-4/h7-10,14-15,18H,5-6,11-13,24H2,1-4H3,(H,25,26)
  • InChiKey: WVJARODAMMHDHV-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
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 0.0033 0.0281 0.0818
Schistosoma mansoni hypothetical protein 0.0071 0.0751 0.1064
Brugia malayi isocitrate dehydrogenase 0.0031 0.0252 0.0712
Schistosoma mansoni hypothetical protein 0.0333 0.4057 0.5744
Trypanosoma brucei isocitrate dehydrogenase [NADP], mitochondrial precursor, putative 0.0031 0.0252 1
Brugia malayi Pre-SET motif family protein 0.0029 0.0231 0.0637
Schistosoma mansoni hypothetical protein 0.0018 0.0089 0.0125
Brugia malayi hypothetical protein 0.0121 0.1382 0.4804
Brugia malayi hypothetical protein 0.0018 0.0089 0.0121
Echinococcus multilocularis smad 0.0016 0.0062 0.0062
Loa Loa (eye worm) MH2 domain-containing protein 0.0235 0.2817 1
Echinococcus granulosus cadherin EGF LAG seven pass G type receptor 0.0015 0.0055 0.0078
Loa Loa (eye worm) abnormal chemotaxis protein 14 0.0042 0.0385 0.1195
Schistosoma mansoni TGF-beta signal transducer Smad2 0.0016 0.0062 0.0088
Loa Loa (eye worm) hypothetical protein 0.0049 0.0476 0.1523
Giardia lamblia Hypothetical protein 0.0018 0.0089 0.5
Echinococcus multilocularis Niemann Pick C1 protein 0.0097 0.1083 0.1091
Loa Loa (eye worm) hypothetical protein 0.0121 0.1382 0.4804
Brugia malayi Pre-SET motif family protein 0.0205 0.2446 0.8654
Onchocerca volvulus 0.0029 0.0231 0.0525
Brugia malayi Isocitrate dehydrogenase 0.0031 0.0252 0.0712
Echinococcus multilocularis NADP dependent isocitrate dehydrogenase 0.0031 0.0252 0.0253
Schistosoma mansoni smad 0.0016 0.0062 0.0088
Echinococcus multilocularis protein dispatched 1 0.0048 0.0459 0.0462
Schistosoma mansoni smad1 5 8 and 0.0016 0.0062 0.0088
Trichomonas vaginalis set domain proteins, putative 0.0233 0.2803 1
Echinococcus granulosus ccaat enhancer binding protein delta 0.0018 0.0089 0.0125
Brugia malayi MH1 domain containing protein 0.0016 0.0062 0.0024
Schistosoma mansoni hypothetical protein 0.004 0.0366 0.0519
Mycobacterium tuberculosis Proteasome alpha subunit PrcA; assembles with beta subunit PrcB. 0.0804 1 1
Loa Loa (eye worm) Smad1 0.0016 0.0062 0.0024
Echinococcus multilocularis histone lysine N methyltransferase SETMAR 0.0029 0.0231 0.0233
Schistosoma mansoni patched 1 0.0042 0.0385 0.0545
Echinococcus granulosus diuretic hormone 44 receptor GPRdih2 0.0015 0.0055 0.0078
Loa Loa (eye worm) hypothetical protein 0.0042 0.0385 0.1195
Echinococcus multilocularis geminin 0.0333 0.4057 0.4085
Onchocerca volvulus Huntingtin homolog 0.0121 0.1382 0.476
Brugia malayi MH2 domain containing protein 0.0016 0.0062 0.0024
Schistosoma mansoni par domain protein 0.0018 0.0089 0.0125
Plasmodium vivax SET domain protein, putative 0.0029 0.0231 0.7441
Brugia malayi CHE-14 protein 0.0042 0.0385 0.1195
Schistosoma mansoni hypothetical protein 0.004 0.0366 0.0519
Loa Loa (eye worm) hypothetical protein 0.0018 0.0089 0.0121
Echinococcus granulosus smad 0.0016 0.0062 0.0088
Entamoeba histolytica hypothetical protein 0.0071 0.0751 0.6664
Plasmodium falciparum isocitrate dehydrogenase [NADP], mitochondrial 0.0031 0.0252 1
Loa Loa (eye worm) hypothetical protein 0.0025 0.0172 0.0422
Echinococcus granulosus Basic leucine zipper bZIP transcription 0.0071 0.0751 0.1064
Loa Loa (eye worm) hypothetical protein 0.0018 0.0089 0.0121
Echinococcus granulosus GPCR family 2 0.0015 0.0055 0.0078
Echinococcus multilocularis isocitrate dehydrogenase 0.0031 0.0252 0.0253
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0029 0.0231 0.0327
Schistosoma mansoni hypothetical protein 0.0018 0.0089 0.0125
Brugia malayi Cell death specification protein 2 0.0018 0.0089 0.0121
Schistosoma mansoni smad1 5 8 and 0.0016 0.0062 0.0088
Echinococcus multilocularis Smad4 0.0016 0.0062 0.0062
Echinococcus granulosus protocadherin 11 0.0018 0.0089 0.0125
Schistosoma mansoni NADP-specific isocitrate dehydrogenase 0.0031 0.0252 0.0356
Echinococcus granulosus mothers against decapentaplegic 5 0.0016 0.0062 0.0088
Schistosoma mansoni hypothetical protein 0.0333 0.4057 0.5744
Echinococcus granulosus histone lysine methyltransferase setb 0.0029 0.0231 0.0327
Loa Loa (eye worm) hypothetical protein 0.0097 0.1083 0.3723
Echinococcus granulosus Smad4 0.0016 0.0062 0.0088
Echinococcus granulosus transcriptional factor nfil3:e4bp4 0.0018 0.0089 0.0125
Loa Loa (eye worm) MH2 domain-containing protein 0.0016 0.0062 0.0024
Echinococcus multilocularis sterol regulatory element binding protein 0.0042 0.0385 0.0388
Schistosoma mansoni hypothetical protein 0.0571 0.7063 1
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.0049 0.0476 0.1523
Echinococcus granulosus geminin 0.0333 0.4057 0.5744
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0029 0.0231 0.0327
Trypanosoma brucei isocitrate dehydrogenase, putative 0.0031 0.0252 1
Toxoplasma gondii histone lysine methyltransferase SET/SUV39 0.0029 0.0231 0.7441
Loa Loa (eye worm) hypothetical protein 0.0018 0.0089 0.0121
Loa Loa (eye worm) isocitrate dehydrogenase 0.0031 0.0252 0.0712
Brugia malayi Calcitonin receptor-like protein seb-1 0.0049 0.0476 0.1523
Brugia malayi hypothetical protein 0.0025 0.0172 0.0422
Echinococcus multilocularis isocitrate dehydrogenase 2 (NADP+) 0.0031 0.0252 0.0253
Loa Loa (eye worm) pigment dispersing factor receptor c 0.0049 0.0476 0.1523
Schistosoma mansoni hypothetical protein 0.004 0.0366 0.0519
Echinococcus granulosus Basic leucine zipper bZIP transcription factor 0.0018 0.0089 0.0125
Echinococcus granulosus 5'partial|histone lysine N methyltransferase SETDB2 0.0028 0.0218 0.0308
Echinococcus multilocularis cadherin EGF LAG seven pass G type receptor 0.0015 0.0055 0.0056
Echinococcus multilocularis NADP dependent isocitrate dehydrogenase 0.0031 0.0252 0.0253
Echinococcus multilocularis atpase aaa+ type core atpase aaa type core 0.0799 0.9933 1
Loa Loa (eye worm) bZIP transcription factor family protein 0.0018 0.0089 0.0121
Echinococcus granulosus NADP dependent isocitrate dehydrogenase 0.0031 0.0252 0.0356
Echinococcus multilocularis Basic leucine zipper (bZIP) transcription 0.0071 0.0751 0.0757
Schistosoma mansoni hypothetical protein 0.0015 0.0055 0.0078
Loa Loa (eye worm) pre-SET domain-containing protein family protein 0.0205 0.2446 0.8654
Schistosoma mansoni thyrotroph embryonic factor related 0.0018 0.0089 0.0125
Schistosoma mansoni hypothetical protein 0.004 0.0366 0.0519
Loa Loa (eye worm) hypothetical protein 0.0029 0.0231 0.0637
Plasmodium vivax isocitrate dehydrogenase [NADP], mitochondrial, putative 0.0031 0.0252 1
Brugia malayi latrophilin 2 splice variant baaae 0.0033 0.0281 0.0818
Brugia malayi Niemann-Pick C1 protein precursor 0.0097 0.1083 0.3723
Echinococcus granulosus TGF beta signal transducer SmadC 0.0016 0.0062 0.0088
Loa Loa (eye worm) hypothetical protein 0.0018 0.0089 0.0121
Echinococcus granulosus Basic leucine zipper bZIP transcription factor 0.0018 0.0089 0.0125
Brugia malayi Hepatic leukemia factor 0.0018 0.0089 0.0121
Schistosoma mansoni transcription factor LCR-F1 0.0071 0.0751 0.1064
Loa Loa (eye worm) transcription factor SMAD2 0.0235 0.2817 1
Loa Loa (eye worm) hypothetical protein 0.0018 0.0089 0.0121
Loa Loa (eye worm) hypothetical protein 0.0051 0.0503 0.1623
Schistosoma mansoni hypothetical protein 0.0015 0.0055 0.0078
Entamoeba histolytica hypothetical protein 0.0071 0.0751 0.6664
Echinococcus granulosus Niemann Pick C1 protein 0.0139 0.1608 0.2277
Echinococcus granulosus X box binding protein 1 0.0571 0.7063 1
Brugia malayi hypothetical protein 0.0018 0.0089 0.0121
Toxoplasma gondii isocitrate dehydrogenase 0.0031 0.0252 1
Brugia malayi MH2 domain containing protein 0.0016 0.0062 0.0024
Echinococcus multilocularis GPCR, family 2 0.0015 0.0055 0.0056
Echinococcus granulosus expressed conserved protein 0.0091 0.1009 0.1429
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0029 0.0231 0.0327
Echinococcus multilocularis protocadherin 11 0.0018 0.0089 0.0089
Echinococcus multilocularis transcriptional factor nfil3:e4bp4 0.0018 0.0089 0.0089
Brugia malayi MH1 domain containing protein 0.0016 0.0062 0.0024
Onchocerca volvulus 0.0234 0.2807 1
Schistosoma mansoni smad1 5 8 and 0.0016 0.0062 0.0088
Echinococcus multilocularis X box binding protein 1 0.0571 0.7063 0.7111
Leishmania major isocitrate dehydrogenase [NADP], mitochondrial precursor, putative 0.0031 0.0252 1
Schistosoma mansoni histone-lysine n-methyltransferase suv9 0.0029 0.0231 0.0327
Echinococcus multilocularis protein patched 0.0042 0.0385 0.0388
Echinococcus granulosus sterol regulatory element binding protein 0.0042 0.0385 0.0545
Onchocerca volvulus Huntingtin homolog 0.0121 0.1382 0.476
Echinococcus multilocularis diuretic hormone 44 receptor GPRdih2 0.0015 0.0055 0.0056
Schistosoma mansoni niemann-pick C1 (NPC1) 0.0098 0.1102 0.1561
Toxoplasma gondii isocitrate dehydrogenase 0.0031 0.0252 1
Schistosoma mansoni hypothetical protein 0.0015 0.0055 0.0078
Echinococcus multilocularis ccaat enhancer binding protein delta ccaat enhancer binding protein beta 0.0018 0.0089 0.0089
Brugia malayi MH2 domain containing protein 0.0235 0.2817 1
Entamoeba histolytica Niemann-Pick C1 protein, putative 0.0097 0.1083 1
Echinococcus granulosus protocadherin 11 0.0018 0.0089 0.0125
Mycobacterium ulcerans proteasome PrcA 0.0804 1 0.5
Echinococcus multilocularis Basic leucine zipper (bZIP) transcription factor 0.0018 0.0089 0.0089
Echinococcus multilocularis Niemann Pick C1 protein 0.0139 0.1608 0.1619
Entamoeba histolytica hypothetical protein 0.0071 0.0751 0.6664
Echinococcus granulosus Protein patched homolog 1 0.0042 0.0385 0.0545
Brugia malayi hypothetical protein 0.0018 0.0089 0.0121
Brugia malayi Cell death specification protein 2 0.0018 0.0089 0.0121
Brugia malayi Smad1 0.0016 0.0062 0.0024
Schistosoma mansoni Smad4 0.0016 0.0062 0.0088
Echinococcus multilocularis protocadherin 11 0.0018 0.0089 0.0089
Loa Loa (eye worm) cell death specification protein 2 0.0018 0.0089 0.0121
Brugia malayi Cell death specification protein 2 0.0018 0.0089 0.0121
Entamoeba histolytica hypothetical protein 0.0071 0.0751 0.6664
Echinococcus multilocularis expressed conserved protein 0.0091 0.1009 0.1016
Schistosoma mansoni hypothetical protein 0.0015 0.0055 0.0078
Brugia malayi bZIP transcription factor family protein 0.0018 0.0089 0.0121
Loa Loa (eye worm) hypothetical protein 0.0121 0.1382 0.4804
Echinococcus multilocularis TGF beta signal transducer SmadC 0.0016 0.0062 0.0062
Echinococcus multilocularis mothers against decapentaplegic 5 0.0016 0.0062 0.0062
Brugia malayi hypothetical protein 0.0016 0.0061 0.0022
Echinococcus multilocularis NADP dependent isocitrate dehydrogenase 0.0031 0.0252 0.0253
Trypanosoma cruzi isocitrate dehydrogenase, putative 0.0031 0.0252 1
Schistosoma mansoni hypothetical protein 0.0033 0.0281 0.0398
Loa Loa (eye worm) hypothetical protein 0.0018 0.0089 0.0121
Loa Loa (eye worm) MH1 domain-containing protein 0.0016 0.0062 0.0024
Echinococcus multilocularis cyclic AMP responsive element binding protein 0.0018 0.0089 0.0089
Schistosoma mansoni transcriptional factor nfil3/e4bp4 0.0018 0.0089 0.0125
Brugia malayi hypothetical protein 0.0071 0.0751 0.2521
Echinococcus multilocularis histone lysine methyltransferase setb histone lysine methyltransferase eggless 0.0029 0.0231 0.0233
Trypanosoma cruzi isocitrate dehydrogenase [NADP], mitochondrial precursor, putative 0.0031 0.0252 1
Echinococcus multilocularis Basic leucine zipper (bZIP) transcription factor 0.0018 0.0089 0.0089
Echinococcus granulosus Niemann Pick C1 protein 0.0097 0.1083 0.1534

Activities

Activity type Activity value Assay description Source Reference
EC50 (functional) = 404 nM Agonist activity at rat TRPV1 expressed in CHO cells assessed as calcium uptake ChEMBL. 22796184
Ki (functional) Antagonist activity at rat TRPV1 expressed in CHO cells assessed as inhibition of calcium uptake ChEMBL. 22796184
Ki (binding) = 518 nM Displacement of [3H]RTX from rat TRPV1 expressed in CHO cells ChEMBL. 22796184

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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