Detailed information for compound 1166912

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 345.519 | Formula: C22H35NO2
  • H donors: 1 H acceptors: 1 LogP: 5.19 Rotable bonds: 9
    Rule of 5 violations (Lipinski): 1
  • SMILES: CCCc1ccccc1OCC(CN(C1CCCC1)C1CCCC1)O
  • InChi: 1S/C22H35NO2/c1-2-9-18-10-3-8-15-22(18)25-17-21(24)16-23(19-11-4-5-12-19)20-13-6-7-14-20/h3,8,10,15,19-21,24H,2,4-7,9,11-14,16-17H2,1H3
  • InChiKey: URYWKHRFMPVDTR-UHFFFAOYSA-N  


Substructure search Similarity search

Network

Hover on a compound node to display the structore

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
Trichomonas vaginalis Clan SC, family S28, unassigned serine peptidase 0.0081 0.038 0.0152
Plasmodium vivax NADPH-cytochrome p450 reductase, putative 0.0869 0.5726 1
Onchocerca volvulus 0.0099 0.0504 0.0137
Loa Loa (eye worm) FAD binding domain-containing protein 0.0536 0.3472 0.3686
Loa Loa (eye worm) hypothetical protein 0.0081 0.038 0.0404
Entamoeba histolytica type A flavoprotein, putative 0.0332 0.2088 1
Loa Loa (eye worm) prolyl oligopeptidase 0.0112 0.0594 0.063
Trypanosoma cruzi oxidoreductase-protein, putative 0.0099 0.0504 0.0231
Trypanosoma cruzi oligopeptidase b 0.0112 0.0594 0.0399
Giardia lamblia Hypothetical protein 0.077 0.5057 1
Loa Loa (eye worm) voltage and ligand gated potassium channel 0.0073 0.033 0.035
Echinococcus multilocularis NADH cytochrome b5 reductase 3 0.0099 0.0504 0.034
Entamoeba histolytica type A flavoprotein, putative 0.0332 0.2088 1
Loa Loa (eye worm) hypothetical protein 0.0112 0.0594 0.063
Entamoeba histolytica prolyl oligopeptidase family protein 0.0112 0.0594 0.125
Echinococcus multilocularis acylamino acid releasing enzyme 0.0112 0.0594 0.0431
Treponema pallidum flavodoxin 0.0332 0.2088 1
Schistosoma mansoni diflavin oxidoreductase 0.0431 0.2758 0.2633
Echinococcus multilocularis NADPH cytochrome P450 reductase 0.0869 0.5726 0.5653
Trypanosoma brucei S-adenosyl-L-methionine-dependent tRNA 4-demethylwyosine synthase, putative 0.0332 0.2088 0.3033
Loa Loa (eye worm) hypothetical protein 0.0063 0.0265 0.0281
Schistosoma mansoni prolyl oligopeptidase (S09 family) 0.0112 0.0594 0.0431
Onchocerca volvulus Prolyl endopeptidase homolog 0.0112 0.0594 0.0236
Mycobacterium tuberculosis Probable peptidase 0.0112 0.0594 1
Toxoplasma gondii flavodoxin domain-containing protein 0.0431 0.2758 0.8883
Entamoeba histolytica type A flavoprotein, putative 0.0332 0.2088 1
Trichomonas vaginalis Clan SC, family S28, unassigned serine peptidase 0.0081 0.038 0.0152
Entamoeba histolytica type A flavoprotein, putative 0.0332 0.2088 1
Trypanosoma cruzi NADH-cytochrome b5 reductase, putative 0.0099 0.0504 0.0231
Trypanosoma cruzi p450 reductase, putative 0.0099 0.0504 0.0231
Trypanosoma cruzi serine peptidase, clan SC, family S9A-like protein, putative 0.0112 0.0594 0.0399
Leishmania major cytochrome P450 reductase, putative 0.077 0.5057 0.8717
Mycobacterium ulcerans formate dehydrogenase H FdhF 0.0869 0.5726 1
Trypanosoma cruzi oligopeptidase b 0.0112 0.0594 0.0399
Trypanosoma cruzi NADH-dependent fumarate reductase, putative 0.0099 0.0504 0.0231
Schistosoma mansoni prolyl oligopeptidase (S09 family) 0.0112 0.0594 0.0431
Chlamydia trachomatis sulfite reductase 0.0536 0.3472 1
Brugia malayi hypothetical protein 0.0363 0.2297 0.2438
Brugia malayi prolyl oligopeptidase family protein 0.0112 0.0594 0.063
Entamoeba histolytica dipeptidyl-peptidase, putative 0.0112 0.0594 0.125
Leishmania major p450 reductase, putative 0.0869 0.5726 1
Trypanosoma cruzi cytochrome-b5 reductase, putative 0.0099 0.0504 0.0231
Mycobacterium ulcerans protease II (oligopeptidase B), PtrB 0.0112 0.0594 0.0172
Trichomonas vaginalis prolylcarboxypeptidase, putative 0.0081 0.038 0.0152
Toxoplasma gondii ferredoxin NADP+ oxidoreductase FNR 0.0099 0.0504 0.0462
Trichomonas vaginalis Clan SC, family S28, unassigned serine peptidase 0.0081 0.038 0.0152
Brugia malayi diaphorase 0.0099 0.0504 0.0535
Brugia malayi prolyl oligopeptidase family protein 0.0475 0.3057 0.3245
Trichomonas vaginalis NADPH cytochrome P450, putative 0.0332 0.2088 0.3298
Schistosoma mansoni voltage-gated potassium channel 0.008 0.0376 0.0209
Brugia malayi flavodoxin family protein 0.0332 0.2088 0.2217
Trypanosoma brucei NADPH-cytochrome p450 reductase, putative 0.0869 0.5726 1
Entamoeba histolytica prolyl oligopeptidase family protein 0.0112 0.0594 0.125
Echinococcus granulosus dipeptidyl aminopeptidaseprotein 0.1413 0.9419 0.9409
Brugia malayi Serine protease Z688.6 precursor 0.0081 0.038 0.0404
Trichomonas vaginalis Clan SC, family S28, unassigned serine peptidase 0.0081 0.038 0.0152
Schistosoma mansoni voltage-gated potassium channel 0.008 0.0376 0.0209
Echinococcus granulosus cytochrome b5 reductase 4 0.0099 0.0504 0.034
Trichomonas vaginalis conserved hypothetical protein 0.0081 0.038 0.0152
Trichomonas vaginalis lysosomal pro-X carboxypeptidase, putative 0.0081 0.038 0.0152
Trypanosoma cruzi NADH-dependent fumarate reductase, putative 0.0099 0.0504 0.0231
Entamoeba histolytica dipeptidyl-peptidase, putative 0.0112 0.0594 0.125
Plasmodium falciparum peptidase, putative 0.0112 0.0594 0.0172
Schistosoma mansoni cytochrome B5 0.0099 0.0504 0.034
Trypanosoma brucei NADPH-dependent diflavin oxidoreductase 1 0.0869 0.5726 1
Echinococcus granulosus acylamino acid releasing enzyme 0.0112 0.0594 0.0431
Brugia malayi prolyl oligopeptidase family protein 0.0112 0.0594 0.063
Trichomonas vaginalis Clan SC, family S28, unassigned serine peptidase 0.0081 0.038 0.0152
Echinococcus granulosus Dipeptidyl peptidase 9 0.0475 0.3057 0.2937
Trypanosoma cruzi NADH-cytochrome b5 reductase, putative 0.0099 0.0504 0.0231
Brugia malayi Serine carboxypeptidase S28 family protein 0.0081 0.038 0.0404
Trypanosoma cruzi oligopeptidase B-like protein, putative 0.0112 0.0594 0.0399
Trypanosoma brucei Alpha/beta hydrolase domain-containing protein 0.0112 0.0594 0.0172
Brugia malayi flavodoxin family protein 0.0869 0.5726 0.6079
Schistosoma mansoni family S28 unassigned peptidase (S28 family) 0.1499 1 1
Echinococcus granulosus NADPH cytochrome P450 reductase 0.0869 0.5726 0.5653
Plasmodium falciparum S-adenosyl-L-methionine-dependent tRNA 4-demethylwyosine synthase, putative 0.0332 0.2088 0.3033
Echinococcus multilocularis methionine synthase reductase 0.0536 0.3472 0.336
Trichomonas vaginalis Clan SC, family S9, acylaminoacyl-peptidase-like serine peptidase 0.0112 0.0594 0.0546
Trichomonas vaginalis NADPH fad oxidoreductase, putative 0.077 0.5057 0.8766
Echinococcus granulosus cytochrome b5 reductase 4 0.0099 0.0504 0.034
Trypanosoma brucei prolyl endopeptidase 0.0112 0.0594 0.0172
Echinococcus granulosus prolyl endopeptidase 0.0112 0.0594 0.0431
Plasmodium vivax hypothetical protein, conserved 0.0112 0.0594 0.0172
Echinococcus granulosus NADH cytochrome b5 reductase 3 0.0099 0.0504 0.034
Toxoplasma gondii hypothetical protein 0.0112 0.0594 0.0797
Trypanosoma brucei prolyl oligopeptidase, putative 0.0112 0.0594 0.0172
Trypanosoma brucei serine peptidase, clan SC, family S9A-like protein 0.0112 0.0594 0.0172
Trichomonas vaginalis Clan SC, family S28, unassigned serine peptidase 0.0081 0.038 0.0152
Loa Loa (eye worm) FAD binding domain-containing protein 0.0869 0.5726 0.6079
Echinococcus granulosus potassium voltage gated channel subfamily H 0.0073 0.033 0.0163
Brugia malayi Voltage-gated potassium channel, HERG (KCNH2)-related. C. elegans unc-103 ortholog 0.0073 0.033 0.035
Toxoplasma gondii dipeptidyl peptidase iv (dpp iv) n-terminal region domain-containing protein 0.0475 0.3057 1
Echinococcus multilocularis prolyl endopeptidase 0.0112 0.0594 0.0431
Trypanosoma cruzi NADPH--cytochrome P450 reductase, putative 0.0332 0.2088 0.3194
Giardia lamblia Flavohemoprotein lateral transfer candidate 0.0099 0.0504 0.0264
Loa Loa (eye worm) hypothetical protein 0.0081 0.038 0.0404
Giardia lamblia Nitric oxide synthase, inducible 0.077 0.5057 1
Brugia malayi prolyl oligopeptidase family protein 0.1413 0.9419 1
Trypanosoma cruzi prolyl endopeptidase 0.0112 0.0594 0.0399
Toxoplasma gondii flavodoxin domain-containing protein 0.0431 0.2758 0.8883
Echinococcus multilocularis Lysosomal Pro X carboxypeptidase 0.1499 1 1
Trichomonas vaginalis Clan SC, family S28, unassigned serine peptidase 0.0081 0.038 0.0152
Trichomonas vaginalis prolylcarboxypeptidase, putative 0.0081 0.038 0.0152
Schistosoma mansoni NADH-cytochrome B5 reductase 0.0099 0.0504 0.034
Toxoplasma gondii prolyl endopeptidase 0.0112 0.0594 0.0797
Trypanosoma cruzi NADH-cytochrome b5 reductase, putative 0.0099 0.0504 0.0231
Trypanosoma cruzi NADPH-dependent FMN/FAD containing oxidoreductase, putative 0.0869 0.5726 1
Schistosoma mansoni 5-methyl tetrahydrofolate-homocysteine methyltransferase reductase 0.0536 0.3472 0.336
Trypanosoma cruzi oxidoreductase-like protein, putative 0.0099 0.0504 0.0231
Brugia malayi Cytochrome b5-like Heme/Steroid binding domain containing protein 0.0099 0.0504 0.0535
Trichomonas vaginalis Clan SC, family S28, unassigned serine peptidase 0.0081 0.038 0.0152
Trypanosoma cruzi dipeptidyl-peptidase 8-like serine peptidase 0.0475 0.3057 0.5006
Loa Loa (eye worm) diaphorase 0.0099 0.0504 0.0535
Echinococcus multilocularis Lysosomal Pro X carboxypeptidase 0.0081 0.038 0.0214
Giardia lamblia Alanyl dipeptidyl peptidase 0.0112 0.0594 0.0456
Trichomonas vaginalis NADPH cytochrome P450, putative 0.0332 0.2088 0.3298
Entamoeba histolytica prolyl oligopeptidase family protein 0.0112 0.0594 0.125
Echinococcus granulosus NADPH dependent diflavin oxidoreductase 1 0.0869 0.5726 0.5653
Loa Loa (eye worm) cytochrome b5 reductase 4 0.0099 0.0504 0.0535
Trypanosoma cruzi NADH-dependent fumarate reductase, putative 0.0099 0.0504 0.0231
Schistosoma mansoni prolyl oligopeptidase (S09 family) 0.0112 0.0594 0.0431
Plasmodium falciparum nitric oxide synthase, putative 0.0869 0.5726 1
Trichomonas vaginalis Clan SC, family S33, methylesterase-like serine peptidase 0.0112 0.0594 0.0546
Trichomonas vaginalis NADPH cytochrome P450, putative 0.0332 0.2088 0.3298
Trypanosoma brucei oligopeptidase b 0.0112 0.0594 0.0172
Echinococcus multilocularis potassium voltage gated channel subfamily H 0.0073 0.033 0.0163
Leishmania major hypothetical protein, conserved 0.0332 0.2088 0.3033
Trypanosoma cruzi Flavodoxin/Radical SAM superfamily/Wyosine base formation, putative 0.0332 0.2088 0.3194
Trypanosoma cruzi NADH-dependent fumarate reductase, putative 0.0099 0.0504 0.0231
Echinococcus multilocularis dipeptidyl aminopeptidaseprotein 0.1413 0.9419 0.9409
Trypanosoma cruzi nitrate reductase, putative 0.0099 0.0504 0.0231
Trypanosoma cruzi cytochrome P450 reductase, putative 0.0869 0.5726 1
Trypanosoma cruzi NADH-dependent fumarate reductase, putative 0.0099 0.0504 0.0231
Mycobacterium leprae PROBABLE PROTEASE II PTRBB (OLIGOPEPTIDASE B) 0.0112 0.0594 0.5
Trichomonas vaginalis sulfite reductase, putative 0.0869 0.5726 1
Loa Loa (eye worm) hypothetical protein 0.0869 0.5726 0.6079
Trypanosoma cruzi cytochrome-b5 reductase, putative 0.0099 0.0504 0.0231
Trypanosoma brucei NADPH--cytochrome P450 reductase, putative 0.0869 0.5726 1
Loa Loa (eye worm) GTP-binding regulatory protein Gs alpha-S chain 0.005 0.017 0.018
Loa Loa (eye worm) prolyl oligopeptidase 0.1413 0.9419 1
Trypanosoma brucei NADPH--cytochrome P450 reductase, putative 0.0869 0.5726 1
Brugia malayi prolyl oligopeptidase family protein 0.0112 0.0594 0.063
Trypanosoma cruzi Flavodoxin/Radical SAM superfamily/Wyosine base formation, putative 0.0332 0.2088 0.3194
Loa Loa (eye worm) hypothetical protein 0.0112 0.0594 0.063
Echinococcus multilocularis Dipeptidyl peptidase 9 0.0475 0.3057 0.2937
Entamoeba histolytica hypothetical protein, conserved 0.0112 0.0594 0.125
Echinococcus granulosus methionine synthase reductase 0.0536 0.3472 0.336
Leishmania major dipeptidyl-peptidase 8-like serine peptidase, putative,serine peptidase, Clan SC, Family S9B 0.0475 0.3057 0.4888
Trypanosoma cruzi cytochrome P450 reductase, putative 0.0869 0.5726 1
Trypanosoma cruzi serine peptidase, Clan SC, Family S9B 0.0475 0.3057 0.5006
Toxoplasma gondii acylaminoacyl-peptidase, putative 0.0112 0.0594 0.0797
Trichomonas vaginalis Clan SC, family S28, unassigned serine peptidase 0.0081 0.038 0.0152
Loa Loa (eye worm) hypothetical protein 0.0112 0.0594 0.063
Mycobacterium tuberculosis Probable protease II PtrBb [second part] (oligopeptidase B) 0.0112 0.0594 1
Entamoeba histolytica type A flavoprotein, putative 0.0332 0.2088 1
Trypanosoma brucei Dipeptidyl-peptidase 8-like, putative 0.0475 0.3057 0.4888
Loa Loa (eye worm) hypothetical protein 0.0081 0.038 0.0404
Trypanosoma cruzi NADH-cytochrome b5 reductase, putative 0.0099 0.0504 0.0231
Trypanosoma cruzi NADH-dependent fumarate reductase, putative 0.0099 0.0504 0.0231
Plasmodium vivax hypothetical protein, conserved 0.0332 0.2088 0.3033
Schistosoma mansoni acylaminoacyl-peptidase (S09 family) 0.0112 0.0594 0.0431
Trichomonas vaginalis NADPH cytochrome P450, putative 0.0332 0.2088 0.3298
Leishmania major oligopeptidase b 0.0112 0.0594 0.0172
Giardia lamblia Alanyl dipeptidyl peptidase 0.0112 0.0594 0.0456
Trichomonas vaginalis conserved hypothetical protein 0.0081 0.038 0.0152
Leishmania major prolyl oligopeptidase, putative,serine peptidase clan SC, family S9A, putative 0.0112 0.0594 0.0172
Trypanosoma cruzi NADH-cytochrome b5 reductase, putative 0.0099 0.0504 0.0231
Leishmania major NADPH-cytochrome p450 reductase-like protein 0.0869 0.5726 1
Trypanosoma cruzi p450 reductase, putative 0.0869 0.5726 1
Trichomonas vaginalis Clan SC, family S28, unassigned serine peptidase 0.0081 0.038 0.0152
Echinococcus granulosus Lysosomal Pro X carboxypeptidase 0.0081 0.038 0.0214
Schistosoma mansoni lysosomal Pro-Xaa carboxypeptidase (S28 family) 0.0081 0.038 0.0214
Brugia malayi FAD binding domain containing protein 0.0869 0.5726 0.6079
Brugia malayi Serine protease Z688.6 precursor 0.0081 0.038 0.0404
Leishmania major oligopeptidase B-like protein,serine peptidase, clan SC, family S9A-like protein 0.0112 0.0594 0.0172
Loa Loa (eye worm) hypothetical protein 0.0363 0.2297 0.2438
Echinococcus multilocularis NADPH dependent diflavin oxidoreductase 1 0.0869 0.5726 0.5653
Schistosoma mansoni dipeptidyl-peptidase 9 (S09 family) 0.0475 0.3057 0.2937
Loa Loa (eye worm) hypothetical protein 0.0081 0.038 0.0404
Trichomonas vaginalis Clan SC, family S28, unassigned serine peptidase 0.0081 0.038 0.0152
Trypanosoma cruzi hypothetical protein, conserved 0.0112 0.0594 0.0399
Schistosoma mansoni NADPH flavin oxidoreductase 0.0438 0.2803 0.2678
Trichomonas vaginalis Clan SC, family S28, unassigned serine peptidase 0.0081 0.038 0.0152
Schistosoma mansoni cytochrome P450 reductase 0.0869 0.5726 0.5653
Plasmodium falciparum NADPH--cytochrome P450 reductase, putative 0.0332 0.2088 0.3033
Onchocerca volvulus Dipeptidyl peptidase family member 1 homolog 0.1413 0.9419 1
Brugia malayi FAD binding domain containing protein 0.0536 0.3472 0.3686
Trypanosoma cruzi NADH-cytochrome b5 reductase, putative 0.0099 0.0504 0.0231
Toxoplasma gondii NADH-cytochrome b5 reductase 1, putative 0.0099 0.0504 0.0462
Plasmodium vivax flavodoxin domain containing protein 0.077 0.5057 0.8717
Loa Loa (eye worm) flavodoxin family protein 0.0332 0.2088 0.2217
Schistosoma mansoni subfamily S9B unassigned peptidase (S09 family) 0.1413 0.9419 0.9409
Trypanosoma cruzi hypothetical protein, conserved 0.0112 0.0594 0.0399
Trichomonas vaginalis conserved hypothetical protein 0.0112 0.0594 0.0546
Brugia malayi GTP-binding regulatory protein Gs alpha-S chain, putative 0.005 0.017 0.018
Trypanosoma brucei serine peptidase, Clan SC, Family S9B 0.0475 0.3057 0.4888
Echinococcus multilocularis cytochrome b5 reductase 4 0.0099 0.0504 0.034
Trypanosoma cruzi reductase, putative 0.0099 0.0504 0.0231

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.
 
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.

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