Detailed information for compound 1472437

Basic information

Technical information
  • TDR Targets ID: 1472437
  • Name: N-[2-(azepan-1-yl)ethyl]-2-(2,2-dimethyl-4-ox ochroman-6-yl)oxybutanamide
  • MW: 402.527 | Formula: C23H34N2O4
  • H donors: 1 H acceptors: 2 LogP: 3.48 Rotable bonds: 8
    Rule of 5 violations (Lipinski): 1
  • SMILES: CCC(C(=O)NCCN1CCCCCC1)Oc1ccc2c(c1)C(=O)CC(O2)(C)C
  • InChi: 1S/C23H34N2O4/c1-4-20(22(27)24-11-14-25-12-7-5-6-8-13-25)28-17-9-10-21-18(15-17)19(26)16-23(2,3)29-21/h9-10,15,20H,4-8,11-14,16H2,1-3H3,(H,24,27)
  • InChiKey: XYIILRSSNMNJRN-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

  • N-[2-(azepan-1-yl)ethyl]-2-(2,2-dimethyl-4-oxo-chroman-6-yl)oxy-butanamide
  • N-[2-(1-azepanyl)ethyl]-2-[(2,2-dimethyl-4-oxo-6-chromanyl)oxy]butanamide
  • N-[2-(azepan-1-yl)ethyl]-2-(4-keto-2,2-dimethyl-chroman-6-yl)oxy-butyramide
  • ChemDiv2_008290
  • EU-0030914

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
Loa Loa (eye worm) hypothetical protein 0.003 0.0146 0.0146
Echinococcus granulosus Two pore potassium channel protein sup 9 0.003 0.0146 0.0146
Echinococcus granulosus RUN 0.002 0.0034 0.0034
Onchocerca volvulus 0.003 0.0146 1
Loa Loa (eye worm) cytochrome P450 family protein 0.0047 0.0325 0.0325
Echinococcus granulosus microtubule associated protein 2 0.0712 0.7683 0.7683
Echinococcus granulosus Transcription factor JmjC domain containing protein 0.0061 0.048 0.048
Trypanosoma cruzi major cysteine proteinase, putative 0.0052 0.0381 0.7098
Schistosoma mansoni calcium-activated potassium channel 0.0921 1 1
Onchocerca volvulus 0.003 0.0146 1
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0066 0.0537 1
Schistosoma mansoni jumonji domain containing protein 0.0061 0.048 0.048
Schistosoma mansoni twik family of potassium channels-related 0.003 0.0146 0.0146
Brugia malayi jmjC domain containing protein 0.0061 0.048 1
Onchocerca volvulus 0.003 0.0146 1
Leishmania major calcium/potassium channel (CAKC), putative 0.003 0.0146 0.2719
Giardia lamblia Hypothetical protein 0.003 0.0146 1
Brugia malayi Twik (KCNK-like) family of potassium channels, alpha subunit 45 0.003 0.0146 0.3041
Trypanosoma brucei calcium-activated potassium channel, putative 0.003 0.0146 0.2385
Brugia malayi exodeoxyribonuclease III family protein 0.0019 0.0024 0.049
Trypanosoma cruzi apurinic/apyrimidinic endonuclease 0.0019 0.0024 0.0438
Loa Loa (eye worm) hypothetical protein 0.0921 1 1
Schistosoma mansoni twik family of potassium channels-related 0.003 0.0146 0.0146
Trichomonas vaginalis voltage and ligand gated potassium channel, putative 0.003 0.0146 1
Schistosoma mansoni calcium-activated potassium channel 0.0594 0.6385 0.6385
Schistosoma mansoni hypothetical protein 0.0921 1 1
Trypanosoma cruzi cysteine peptidase, putative 0.0066 0.0537 1
Schistosoma mansoni twik family of potassium channels-related 0.003 0.0146 0.0146
Loa Loa (eye worm) S-phase kinase-associated protein 1A 0.003 0.0146 0.0146
Loa Loa (eye worm) hypothetical protein 0.0313 0.3275 0.3275
Brugia malayi Twik (KCNK-like) family of potassium channels, alpha subunit 39B 0.003 0.0146 0.3041
Brugia malayi hypothetical protein 0.003 0.0146 0.3041
Treponema pallidum exodeoxyribonuclease (exoA) 0.0019 0.0024 0.5
Loa Loa (eye worm) hypothetical protein 0.002 0.0034 0.0034
Loa Loa (eye worm) hypothetical protein 0.003 0.0146 0.0146
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0066 0.0537 1
Loa Loa (eye worm) doublecortin family protein 0.002 0.0034 0.0034
Loa Loa (eye worm) hypothetical protein 0.003 0.0146 0.0146
Trypanosoma cruzi calcium-activated potassium channel, putative 0.003 0.0146 0.2719
Schistosoma mansoni calcium-activated potassium channel 0.003 0.0146 0.0146
Echinococcus granulosus lipoxygenase domain containing protein 0.002 0.0034 0.0034
Onchocerca volvulus 0.002 0.0034 0.2323
Trypanosoma cruzi calcium-activated potassium channel, putative 0.003 0.0146 0.2719
Plasmodium vivax potassium channel, putative 0.003 0.0146 1
Entamoeba histolytica exodeoxyribonuclease III, putative 0.0019 0.0024 0.1612
Echinococcus multilocularis TWiK family of potassium channels protein 7 0.003 0.0146 0.0146
Loa Loa (eye worm) hypothetical protein 0.003 0.0146 0.0146
Brugia malayi Twik (KCNK-like) family of potassium channels, alpha subunit 32 0.003 0.0146 0.3041
Echinococcus granulosus potassium channel subfamily K 0.003 0.0146 0.0146
Onchocerca volvulus 0.003 0.0146 1
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0066 0.0537 1
Leishmania major cathepsin L-like protease 0.0066 0.0537 1
Leishmania major potassium channel subunit-like protein 0.003 0.0146 0.2719
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0066 0.0537 1
Loa Loa (eye worm) hypothetical protein 0.0296 0.3087 0.3087
Brugia malayi Twik (KCNK-like) family of potassium channels, alpha subunit 19. C. elegans unc-58 ortholog 0.003 0.0146 0.3041
Leishmania major apurinic/apyrimidinic endonuclease-redox protein 0.0019 0.0024 0.0438
Schistosoma mansoni twik family of potassium channels-related 0.003 0.0146 0.0146
Brugia malayi Cytochrome P450 family protein 0.0047 0.0325 0.6773
Loa Loa (eye worm) hypothetical protein 0.003 0.0146 0.0146
Leishmania major cathepsin L-like protease 0.0066 0.0537 1
Loa Loa (eye worm) hypothetical protein 0.003 0.0146 0.0146
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0066 0.0537 1
Loa Loa (eye worm) hypothetical protein 0.003 0.0146 0.0146
Loa Loa (eye worm) hypothetical protein 0.003 0.0146 0.0146
Echinococcus granulosus arachidonate 5 lipoxygenase 0.0057 0.0439 0.0439
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0066 0.0537 1
Brugia malayi Twik (KCNK-like) family of potassium channels, alpha subunit 35 0.003 0.0146 0.3041
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0066 0.0537 1
Echinococcus multilocularis lysine specific demethylase 5A 0.0061 0.048 0.048
Loa Loa (eye worm) hypothetical protein 0.003 0.0146 0.0146
Echinococcus granulosus twik family of potassium channels 0.003 0.0146 0.0146
Echinococcus multilocularis small conductance calcium activated potassium 0.0921 1 1
Echinococcus granulosus twik family of potassium channels 0.003 0.0146 0.0146
Schistosoma mansoni rab6-interacting 0.002 0.0034 0.0034
Brugia malayi Twik (KCNK-like) family of potassium channels, alpha subunit 30. 0.003 0.0146 0.3041
Echinococcus granulosus TWiK family of potassium channels protein 7 0.003 0.0146 0.0146
Schistosoma mansoni microtubule-associated protein tau 0.0712 0.7683 0.7683
Brugia malayi Twik (KCNK-like) family of potassium channels, alpha subunit 17 0.003 0.0146 0.3041
Plasmodium vivax potassium channel, putative 0.003 0.0146 1
Loa Loa (eye worm) TWK-7 protein 0.003 0.0146 0.0146
Trichomonas vaginalis voltage and ligand gated potassium channel, putative 0.003 0.0146 1
Trichomonas vaginalis voltage and ligand gated potassium channel, putative 0.003 0.0146 1
Trypanosoma cruzi apurinic/apyrimidinic endonuclease, putative 0.0019 0.0024 0.0438
Loa Loa (eye worm) hypothetical protein 0.003 0.0146 0.0146
Plasmodium falciparum potassium channel 0.003 0.0146 1
Plasmodium falciparum AP endonuclease (DNA-[apurinic or apyrimidinic site] lyase), putative 0.0019 0.0024 0.1612
Brugia malayi hypothetical protein 0.003 0.0146 0.3041
Toxoplasma gondii ion channel protein 0.003 0.0146 1
Echinococcus granulosus potassium channel subfamily K 8 0.003 0.0146 0.0146
Trichomonas vaginalis voltage and ligand gated potassium channel, putative 0.003 0.0146 1
Echinococcus multilocularis twik family of potassium channels 0.003 0.0146 0.0146
Schistosoma mansoni jumonji/arid domain-containing protein 0.0061 0.048 0.048
Toxoplasma gondii ion channel protein 0.003 0.0146 1
Loa Loa (eye worm) hypothetical protein 0.003 0.0146 0.0146
Echinococcus multilocularis calcium activated potassium channel variant 0.003 0.0146 0.0146
Echinococcus multilocularis lipoxygenase domain containing protein 0.002 0.0034 0.0034
Echinococcus granulosus lysine specific demethylase 5A 0.0061 0.048 0.048
Brugia malayi Twik (KCNK-like) family of potasium channels, alpha subunit 40 0.003 0.0146 0.3041
Trypanosoma cruzi ion transport protein, putative 0.003 0.0146 0.2719
Echinococcus multilocularis potassium channel subfamily K 0.003 0.0146 0.0146
Echinococcus granulosus Polycystic kidney disease protein 0.002 0.0034 0.0034
Brugia malayi hypothetical protein 0.002 0.0034 0.0707
Loa Loa (eye worm) hypothetical protein 0.003 0.0146 0.0146
Echinococcus multilocularis arachidonate 5 lipoxygenase 0.0057 0.0439 0.0439
Echinococcus multilocularis Transcription factor, JmjC domain containing protein 0.0061 0.048 0.048
Onchocerca volvulus 0.002 0.0034 0.2323
Schistosoma mansoni twik family of potassium channels-related 0.003 0.0146 0.0146
Mycobacterium tuberculosis Possible transmembrane cation transporter 0.003 0.0146 1
Echinococcus multilocularis twik family of potassium channels 0.003 0.0146 0.0146
Brugia malayi Twik (KCNK-like) family of potassium channels, alpha subunit 7 0.003 0.0146 0.3041
Schistosoma mansoni hypothetical protein 0.002 0.0034 0.0034
Loa Loa (eye worm) hypothetical protein 0.003 0.0146 0.0146
Brugia malayi Twik (KCNK-like) family of potassium channels, alpha subunit 5 0.003 0.0146 0.3041
Brugia malayi Twik (KCNK-like) family of potassium channels, alpha subunit 28 0.003 0.0146 0.3041
Loa Loa (eye worm) hypothetical protein 0.003 0.0146 0.0146
Entamoeba histolytica calcium-gated potassium channel protein, putative 0.003 0.0146 1
Echinococcus multilocularis lipoxygenase domain containing protein 0.002 0.0034 0.0034
Trypanosoma cruzi hypothetical protein, conserved 0.003 0.0146 0.2719
Loa Loa (eye worm) hypothetical protein 0.003 0.0146 0.0146
Plasmodium vivax AP endonuclease (DNA-[apurinic or apyrimidinic site] lyase), putative 0.0019 0.0024 0.1612
Echinococcus multilocularis Polycystic kidney disease protein 0.002 0.0034 0.0034
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0066 0.0537 1
Brugia malayi hypothetical protein 0.002 0.0034 0.0707
Loa Loa (eye worm) hypothetical protein 0.003 0.0146 0.0146
Loa Loa (eye worm) hypothetical protein 0.003 0.0146 0.0146
Loa Loa (eye worm) hypothetical protein 0.003 0.0146 0.0146
Trypanosoma cruzi cysteine peptidase, putative 0.0066 0.0537 1
Brugia malayi Twik (KCNK-like) family of potassium channels, alpha subunit 12 0.003 0.0146 0.3041
Schistosoma mansoni polycystin 1-related 0.002 0.0034 0.0034
Loa Loa (eye worm) hypothetical protein 0.003 0.0146 0.0146
Schistosoma mansoni twik family of potassium channels-related 0.003 0.0146 0.0146
Loa Loa (eye worm) hypothetical protein 0.003 0.0146 0.0146
Wolbachia endosymbiont of Brugia malayi exonuclease III 0.0019 0.0024 0.5
Echinococcus multilocularis microtubule associated protein 2 0.0712 0.7683 0.7683
Leishmania major cathepsin L-like protease 0.0066 0.0537 1
Loa Loa (eye worm) hypothetical protein 0.003 0.0146 0.0146
Loa Loa (eye worm) exodeoxyribonuclease III family protein 0.0019 0.0024 0.0024
Toxoplasma gondii exonuclease III APE 0.0019 0.0024 0.1612
Loa Loa (eye worm) hypothetical protein 0.003 0.0146 0.0146
Loa Loa (eye worm) hypothetical protein 0.003 0.0146 0.0146
Echinococcus granulosus DNA apurinic or apyrimidinic site lyase 0.0019 0.0024 0.0024
Loa Loa (eye worm) TWK-28 protein 0.003 0.0146 0.0146
Brugia malayi Twik (KCNK-like) family of potassium channels, alpha subunit 38. C. elegans sup-9 ortholog 0.003 0.0146 0.3041
Loa Loa (eye worm) hypothetical protein 0.003 0.0146 0.0146
Schistosoma mansoni jumonji/arid domain-containing protein 0.0061 0.048 0.048
Leishmania major ion transport protein-like protein 0.003 0.0146 0.2719
Echinococcus multilocularis potassium channel subfamily K 8 0.003 0.0146 0.0146
Brugia malayi Twik (KCNK-like) family of potassium channels, alpha subunit 13 0.003 0.0146 0.3041
Trypanosoma cruzi cysteine peptidase, clan CA, family C1, cathepsin L-like, putative 0.006 0.0474 0.8824
Onchocerca volvulus 0.003 0.0146 1
Plasmodium falciparum LCCL domain-containing protein 0.002 0.0034 0.2323
Loa Loa (eye worm) hypothetical protein 0.003 0.0146 0.0146
Schistosoma mansoni hypothetical protein 0.003 0.0146 0.0146
Leishmania major hypothetical protein, conserved 0.003 0.0146 0.2719
Loa Loa (eye worm) potassium voltage-gated channel subfamily Q member 5 0.003 0.0146 0.0146
Mycobacterium ulcerans transmembrane cation transporter 0.003 0.0146 1
Trypanosoma cruzi ion transport protein, putative 0.003 0.0146 0.2719
Plasmodium falciparum potassium channel 0.003 0.0146 1
Loa Loa (eye worm) hypothetical protein 0.0281 0.2919 0.2919
Brugia malayi Twik (KCNK-like) family of potassium channels, alpha subunit 39A 0.003 0.0146 0.3041
Loa Loa (eye worm) hypothetical protein 0.003 0.0146 0.0146
Schistosoma mansoni lipoxygenase 0.002 0.0034 0.0034
Trichomonas vaginalis ap endonuclease, putative 0.0019 0.0024 0.1612
Echinococcus granulosus potassium channel subfamily K 8 0.003 0.0146 0.0146
Brugia malayi Twik (KCNK-like) family of potassium channels, alpha subunit 21 0.003 0.0146 0.3041
Leishmania major hypothetical protein, conserved 0.003 0.0146 0.2719
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0066 0.0537 1
Echinococcus multilocularis potassium channel subfamily K 8 0.003 0.0146 0.0146
Loa Loa (eye worm) hypothetical protein 0.003 0.0146 0.0146
Onchocerca volvulus 0.003 0.0146 1
Trypanosoma cruzi hypothetical protein, conserved 0.003 0.0146 0.2719
Loa Loa (eye worm) hypothetical protein 0.003 0.0146 0.0146
Brugia malayi Twik (KCNK-like) family of potassium channels, alpha subunit 24 0.003 0.0146 0.3041
Brugia malayi jmjC domain containing protein 0.0061 0.048 1
Trypanosoma brucei calcium/potassium channel (CAKC), putative 0.003 0.0146 0.2385
Onchocerca volvulus 0.003 0.0146 1
Loa Loa (eye worm) hypothetical protein 0.003 0.0146 0.0146
Loa Loa (eye worm) hypothetical protein 0.003 0.0146 0.0146
Schistosoma mansoni lipoxygenase 0.0057 0.0439 0.0439
Schistosoma mansoni calcium-activated potassium channel 0.003 0.0146 0.0146
Trypanosoma cruzi cruzipain precursor, putative 0.0066 0.0537 1
Schistosoma mansoni twik family of potassium channels-related 0.003 0.0146 0.0146
Echinococcus granulosus lipoxygenase domain containing protein 0.002 0.0034 0.0034
Plasmodium vivax multidomain scavenger receptor, putative 0.002 0.0034 0.2323
Loa Loa (eye worm) hypothetical protein 0.003 0.0146 0.0146
Trypanosoma cruzi calcium/potassium channel (CAKC), putative 0.003 0.0146 0.2719
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0066 0.0537 1
Loa Loa (eye worm) hypothetical protein 0.003 0.0146 0.0146
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0066 0.0537 1
Echinococcus multilocularis DNA (apurinic or apyrimidinic site) lyase 0.0019 0.0024 0.0024
Loa Loa (eye worm) jmjC domain-containing protein 0.0061 0.048 0.048
Loa Loa (eye worm) large conductance calcium-activated potassium channel alpha subunit ai 0.003 0.0146 0.0146
Trichomonas vaginalis voltage and ligand gated potassium channel, putative 0.003 0.0146 1
Onchocerca volvulus 0.003 0.0146 1
Trypanosoma cruzi cysteine peptidase, putative 0.0066 0.0537 1
Loa Loa (eye worm) uncoordinated protein 58 0.003 0.0146 0.0146
Echinococcus multilocularis RUN 0.002 0.0034 0.0034
Mycobacterium ulcerans ion transport protein 0.003 0.0146 1
Trichomonas vaginalis ap endonuclease, putative 0.0019 0.0024 0.1612
Schistosoma mansoni loxhd1 0.002 0.0034 0.0034
Schistosoma mansoni ap endonuclease 0.0019 0.0024 0.0024
Loa Loa (eye worm) hypothetical protein 0.002 0.0034 0.0034
Loa Loa (eye worm) hypothetical protein 0.003 0.0146 0.0146
Trypanosoma cruzi calcium/potassium channel (CAKC), putative 0.003 0.0146 0.2719
Echinococcus granulosus calcium activated potassium channel variant 0.003 0.0146 0.0146
Schistosoma mansoni rab6-interacting 0.002 0.0034 0.0034
Schistosoma mansoni ap endonuclease 0.0019 0.0024 0.0024
Brugia malayi Doublecortin family protein 0.002 0.0034 0.0707
Schistosoma mansoni twik family of potassium channels-related 0.003 0.0146 0.0146
Echinococcus multilocularis Two pore potassium channel protein sup 9 0.003 0.0146 0.0146

Activities

No activities found for this compound.

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.
 
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External resources for this compound

Bibliographic References

No literature references available for this target.

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