Detailed information for compound 157376

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 261.363 | Formula: C15H23N3O
  • H donors: 1 H acceptors: 3 LogP: 2.96 Rotable bonds: 7
    Rule of 5 violations (Lipinski): 1
  • SMILES: CCCCCCC(n1cnc2c1ccnc2)C(O)C
  • InChi: 1S/C15H23N3O/c1-3-4-5-6-7-14(12(2)19)18-11-17-13-10-16-9-8-15(13)18/h8-12,14,19H,3-7H2,1-2H3
  • InChiKey: XKKYZFAHTVMHFQ-UHFFFAOYSA-N  

Network

Hover on a compound node to display the structore

Synonyms

No synonyms found for this compound

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Bos taurus Adenosine deaminase Starlite/ChEMBL References

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Mycobacterium tuberculosis Probable adenosine deaminase Add (adenosine aminohydrolase) Get druggable targets OG5_127245 All targets in OG5_127245
Schistosoma japonicum ko:K01488 adenosine deaminase [EC3.5.4.4], putative Get druggable targets OG5_127245 All targets in OG5_127245
Plasmodium vivax adenosine deaminase, putative Get druggable targets OG5_127245 All targets in OG5_127245
Leishmania donovani adenine aminohydrolase Get druggable targets OG5_127245 All targets in OG5_127245
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_127245 All targets in OG5_127245
Schistosoma mansoni adenosine deaminase-related Get druggable targets OG5_127245 All targets in OG5_127245
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_127245 All targets in OG5_127245
Entamoeba histolytica adenosine deaminase, putative Get druggable targets OG5_127245 All targets in OG5_127245
Plasmodium berghei adenosine deaminase, putative Get druggable targets OG5_127245 All targets in OG5_127245
Plasmodium falciparum adenosine deaminase Get druggable targets OG5_127245 All targets in OG5_127245
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_127245 All targets in OG5_127245
Schistosoma mansoni adenosine deaminase Get druggable targets OG5_127245 All targets in OG5_127245
Leishmania major adenine aminohydrolase Get druggable targets OG5_127245 All targets in OG5_127245
Toxoplasma gondii Adenosine/AMP deaminase domain-containing protein Get druggable targets OG5_127245 All targets in OG5_127245
Brugia malayi Adenosine/AMP deaminase family protein Get druggable targets OG5_127245 All targets in OG5_127245
Entamoeba histolytica adenosine deaminase, putative Get druggable targets OG5_127245 All targets in OG5_127245
Candida albicans similar to S. cerevisiae AAH1 (YNL141W) adenine aminohydrolase Get druggable targets OG5_127245 All targets in OG5_127245
Echinococcus multilocularis adenosine deaminase Get druggable targets OG5_127245 All targets in OG5_127245
Leishmania braziliensis adenine aminohydrolase Get druggable targets OG5_127245 All targets in OG5_127245
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_127245 All targets in OG5_127245
Leishmania mexicana adenine aminohydrolase Get druggable targets OG5_127245 All targets in OG5_127245
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_127245 All targets in OG5_127245
Plasmodium yoelii adenosine deaminase Get druggable targets OG5_127245 All targets in OG5_127245
Treponema pallidum adenosine deaminase Get druggable targets OG5_127245 All targets in OG5_127245
Echinococcus granulosus adenosine deaminase Get druggable targets OG5_127245 All targets in OG5_127245
Neospora caninum adenosine/AMP deaminase domain containing protein, putative Get druggable targets OG5_127245 All targets in OG5_127245
Leishmania infantum adenine aminohydrolase Get druggable targets OG5_127245 All targets in OG5_127245
Mycobacterium leprae Probable adenosine deaminase Add (ADENOSINE AMINOHYDROLASE) Get druggable targets OG5_127245 All targets in OG5_127245
Trichomonas vaginalis adenosine deaminase, putative Get druggable targets OG5_127245 All targets in OG5_127245
Trichomonas vaginalis adenosine deaminase, putative Get druggable targets OG5_127245 All targets in OG5_127245
Babesia bovis adenosine deaminase, putative Get druggable targets OG5_127245 All targets in OG5_127245
Schistosoma japonicum ko:K01488 adenosine deaminase [EC3.5.4.4], putative Get druggable targets OG5_127245 All targets in OG5_127245
Onchocerca volvulus Adenosine deaminase homolog Get druggable targets OG5_127245 All targets in OG5_127245
Toxoplasma gondii Adenosine/AMP deaminase domain-containing protein Get druggable targets OG5_127245 All targets in OG5_127245
Candida albicans similar to S. cerevisiae AAH1 (YNL141W) adenine aminohydrolase Get druggable targets OG5_127245 All targets in OG5_127245
Plasmodium knowlesi adenosine deaminase, putative Get druggable targets OG5_127245 All targets in OG5_127245
Neospora caninum Adenosine deaminase (EC 3.5.4.4), related Get druggable targets OG5_127245 All targets in OG5_127245
Mycobacterium ulcerans adenosine deaminase Get druggable targets OG5_127245 All targets in OG5_127245

By sequence similarity to non orthologous known druggable targets
Species Potential target Known druggable target Length Alignment span Identity
Dictyostelium discoideum adenosine deaminase-related growth factor Adenosine deaminase   363 aa 299 aa 25.8 %

Obtained from network model

Ranking Plot


Putative Targets List


Species Potential target Raw Global Species
Leishmania major heat shock protein 83-1 0.0037 0.0231 0.1001
Trypanosoma cruzi heat shock protein 85, putative 0.0037 0.0231 0.7484
Echinococcus granulosus short transient receptor potential channel 6 0.0072 0.067 0.067
Trypanosoma cruzi ERV/ALR sulfhydryl oxidase domain-containing protein 0.0039 0.0256 0.8497
Loa Loa (eye worm) hypothetical protein 0.0041 0.0281 0.0281
Trypanosoma cruzi AMP deaminase, putative 0.0034 0.0196 0.6063
Trypanosoma cruzi heat shock protein 85, putative 0.0037 0.0231 0.7484
Trypanosoma brucei heat shock protein, putative 0.0037 0.0231 0.361
Loa Loa (eye worm) hypothetical protein 0.007 0.064 0.064
Echinococcus multilocularis histone lysine N methyltransferase NSD3 0.0037 0.0235 0.0235
Trypanosoma brucei ERV/ALR sulfhydryl oxidase domain-containing protein 0.0039 0.0256 0.6181
Leishmania major heat shock protein 83-1 0.0037 0.0231 0.1001
Trypanosoma cruzi heat shock protein 85, putative 0.0029 0.014 0.3764
Leishmania major heat shock protein 83-1 0.0037 0.0231 0.1001
Echinococcus multilocularis adenosine deaminase 0.0104 0.1055 0.1055
Plasmodium vivax FAD-linked sulfhydryl oxidase ERV1, putative 0.0039 0.0256 0.0698
Schistosoma mansoni ubiquitin-specific peptidase 8 (C19 family) 0.0042 0.0293 0.0293
Loa Loa (eye worm) hyaluronidase 0.0833 1 1
Schistosoma mansoni AMP deaminase 0.0034 0.0196 0.0196
Trypanosoma cruzi ubiquitin carboxyl-terminal hydrolase, putative 0.0042 0.0293 1
Echinococcus multilocularis short transient receptor potential channel 6 0.0072 0.067 0.067
Schistosoma mansoni heat shock protein 0.0037 0.0231 0.0231
Trichomonas vaginalis adenosine deaminase, putative 0.0104 0.1055 1
Trichomonas vaginalis adenosine deaminase, putative 0.0104 0.1055 1
Loa Loa (eye worm) hypothetical protein 0.007 0.064 0.064
Entamoeba histolytica ubiquitin carboxyl-terminal hydrolase domain containing protein 0.0042 0.0293 0.1129
Brugia malayi Calcitonin receptor-like protein seb-1 0.0056 0.0471 0.0471
Entamoeba histolytica adenosine deaminase, putative 0.0104 0.1055 1
Echinococcus multilocularis TRP (transient receptor potential) channel 0.0041 0.0281 0.0281
Leishmania major AMP deaminase, putative,amp deaminase-like protein 0.0034 0.0196 0.0619
Entamoeba histolytica adenosine deaminase, putative 0.0104 0.1055 1
Loa Loa (eye worm) hypothetical protein 0.0056 0.0471 0.0471
Wolbachia endosymbiont of Brugia malayi heat shock protein 90 0.0029 0.014 0.5
Brugia malayi heat shock protein 90 0.0037 0.0231 0.0231
Loa Loa (eye worm) hypothetical protein 0.0042 0.0293 0.0293
Echinococcus granulosus ubiquitin specific protease 41 0.0042 0.0293 0.0293
Giardia lamblia Ubiquitin carboxyl-terminal hydrolase 4 0.0042 0.0293 1
Trichomonas vaginalis Clan CA, family C19, ubiquitin hydrolase-like cysteine peptidase 0.0042 0.0293 0.2365
Trypanosoma brucei heat shock protein 90, putative 0.0037 0.0231 0.361
Leishmania major heat shock protein 83-1 0.0037 0.0231 0.1001
Loa Loa (eye worm) hypothetical protein 0.0354 0.4123 0.4123
Echinococcus granulosus AMP deaminase 2 0.0034 0.0196 0.0196
Plasmodium vivax endoplasmin, putative 0.0037 0.0231 0.0408
Toxoplasma gondii heat shock protein 90, putative 0.0037 0.0231 0.0408
Trichomonas vaginalis heat shock protein, putative 0.0029 0.014 0.0825
Trypanosoma cruzi Heat shock protein 83, putative 0.0037 0.0231 0.7484
Loa Loa (eye worm) AMP deaminase 0.0034 0.0196 0.0196
Trypanosoma cruzi adenosine monophosphate deaminase, putative 0.0034 0.0196 0.6063
Echinococcus multilocularis ubiquitin carboxyl terminal hydrolase 8 0.0042 0.0293 0.0293
Toxoplasma gondii Adenosine/AMP deaminase domain-containing protein 0.0104 0.1055 1
Echinococcus granulosus histone lysine N methyltransferase NSD3 0.0037 0.0235 0.0235
Schistosoma mansoni endoplasmin 0.0037 0.0231 0.0231
Onchocerca volvulus Adenosine deaminase homolog 0.0104 0.1055 1
Echinococcus granulosus transient receptor potential gamma protein 0.0109 0.1124 0.1124
Brugia malayi Adenosine/AMP deaminase family protein 0.0104 0.1055 0.1055
Echinococcus granulosus heat shock protein heat shock protein 90 alpha 0.0029 0.014 0.014
Loa Loa (eye worm) hypothetical protein 0.0104 0.1055 0.1055
Loa Loa (eye worm) endoplasmin 0.0037 0.0231 0.0231
Trypanosoma cruzi AMP deaminase, putative 0.0034 0.0196 0.6063
Trypanosoma brucei heat shock protein, putative 0.0037 0.0231 0.361
Loa Loa (eye worm) hepatopoietin HPO2 0.0039 0.0256 0.0256
Trichomonas vaginalis conserved hypothetical protein 0.0042 0.0293 0.2365
Brugia malayi adenosine monophosphate deaminase 0.0034 0.0196 0.0196
Trypanosoma brucei ubiquitin carboxyl-terminal hydrolase, putative 0.0042 0.0293 1
Brugia malayi latrophilin 2 splice variant baaae 0.0038 0.0253 0.0253
Trichomonas vaginalis heat shock protein, putative 0.0029 0.014 0.0825
Schistosoma mansoni adenosine deaminase-related 0.0104 0.1055 0.1055
Schistosoma mansoni transient receptor potential channel 0.0072 0.067 0.067
Giardia lamblia Heat shock protein HSP 90-alpha 0.0037 0.0231 0.5965
Mycobacterium ulcerans adenosine deaminase 0.0104 0.1055 1
Schistosoma mansoni aminopeptidase P homologue (M24 family) 0.0833 1 1
Loa Loa (eye worm) hypothetical protein 0.0069 0.0625 0.0625
Echinococcus granulosus bifunctional protein NCOAT 0.0833 1 1
Echinococcus granulosus short transient receptor potential channel 6 0.0072 0.067 0.067
Loa Loa (eye worm) pigment dispersing factor receptor c 0.0056 0.0471 0.0471
Loa Loa (eye worm) hypothetical protein 0.0038 0.0253 0.0253
Trypanosoma cruzi ubiquitin carboxyl-terminal hydrolase, putative 0.0042 0.0293 1
Trypanosoma brucei heat shock protein, putative 0.0037 0.0231 0.361
Trypanosoma brucei heat shock protein, putative 0.0037 0.0231 0.361
Leishmania major heat shock protein 83-1 0.0037 0.0231 0.1001
Leishmania major heat shock protein 83-1 0.0037 0.0231 0.1001
Schistosoma mansoni transient receptor potential channel 4 0.0109 0.1124 0.1124
Leishmania major hypothetical protein, conserved 0.0034 0.0196 0.0619
Toxoplasma gondii Adenosine/AMP deaminase domain-containing protein 0.0104 0.1055 1
Echinococcus multilocularis bifunctional protein NCOAT 0.0833 1 1
Loa Loa (eye worm) hypothetical protein 0.0109 0.1124 0.1124
Trichomonas vaginalis Clan CA, family C19, ubiquitin hydrolase-like cysteine peptidase 0.0042 0.0293 0.2365
Echinococcus granulosus heat shock protein 90 0.0029 0.014 0.014
Schistosoma mansoni Hyaluronidase 0.0833 1 1
Trypanosoma cruzi AMP deaminase, putative 0.0034 0.0196 0.6063
Trypanosoma cruzi heat shock protein 90, putative 0.0037 0.0231 0.7484
Plasmodium falciparum FAD-linked sulfhydryl oxidase ERV1, putative 0.0039 0.0256 0.1993
Echinococcus multilocularis heat shock protein 90 0.0029 0.014 0.014
Echinococcus multilocularis transient receptor potential ion channel A 0.0106 0.108 0.108
Echinococcus granulosus heat shock protein 90 0.0037 0.0231 0.0231
Loa Loa (eye worm) heat shock protein 90 0.0037 0.0231 0.0231
Echinococcus multilocularis Peptidase C19, ubiquitin carboxyl terminal hydrolase 2 0.0042 0.0293 0.0293
Leishmania major adenine aminohydrolase 0.0104 0.1055 1
Brugia malayi Endoplasmin precursor 0.0037 0.0231 0.0231
Mycobacterium tuberculosis Probable adenosine deaminase Add (adenosine aminohydrolase) 0.0104 0.1055 1
Schistosoma mansoni adenosine deaminase 0.0104 0.1055 0.1055
Echinococcus multilocularis heat shock protein 90 0.0037 0.0231 0.0231
Echinococcus granulosus heat shock protein 0.0037 0.0231 0.0231
Trypanosoma brucei heat shock protein, putative 0.0037 0.0231 0.361
Toxoplasma gondii Erv1 / Alr family protein 0.0039 0.0256 0.0698
Leishmania major AMP deaminase, putative,adenosine monophosphate deaminase-like protein 0.0034 0.0196 0.0619
Schistosoma mansoni ubiquitin-specific peptidase 2 (C19 family) 0.0042 0.0293 0.0293
Schistosoma mansoni SET domain protein 0.0037 0.0235 0.0235
Leishmania major heat shock protein 83-1 0.0037 0.0231 0.1001
Loa Loa (eye worm) hypothetical protein 0.0034 0.0196 0.0196
Leishmania major heat shock protein 83-1 0.0037 0.0231 0.1001
Schistosoma mansoni endoplasmin 0.0037 0.0231 0.0231
Echinococcus multilocularis short transient receptor potential channel 6 0.0072 0.067 0.067
Leishmania major heat shock protein 83-1 0.0037 0.0231 0.1001
Echinococcus granulosus ubiquitin carboxyl terminal hydrolase 8 0.0042 0.0293 0.0293
Schistosoma mansoni hypothetical protein 0.0038 0.0253 0.0253
Plasmodium falciparum AMP deaminase, putative 0.0034 0.0196 0.1392
Trypanosoma cruzi adenosine monophosphate deaminase-like protein, putative 0.0034 0.0196 0.6063
Trypanosoma cruzi Present in the outer mitochondrial membrane proteome 4 0.0039 0.0256 0.8497
Echinococcus granulosus adenosine deaminase 0.0104 0.1055 0.1055
Leishmania major heat shock protein 83-1 0.0037 0.0231 0.1001
Leishmania major heat shock protein 83-1 0.0037 0.0231 0.1001
Echinococcus multilocularis transient receptor potential gamma protein 0.0109 0.1124 0.1124
Trypanosoma brucei heat shock protein, putative 0.0037 0.0231 0.361
Leishmania major heat shock protein 83-1 0.0037 0.0231 0.1001
Trypanosoma cruzi AMP deaminase 2, putative 0.0034 0.0196 0.6063
Trypanosoma brucei heat shock protein, putative 0.0037 0.0231 0.361
Echinococcus granulosus transient receptor potential ion channel A 0.0106 0.108 0.108
Echinococcus granulosus endoplasmin 0.0029 0.014 0.014
Loa Loa (eye worm) hypothetical protein 0.007 0.064 0.064
Entamoeba histolytica heat shock protein 90, putative 0.0037 0.0231 0.0408
Leishmania major heat shock protein 83-1 0.0037 0.0231 0.1001
Leishmania major hypothetical protein, conserved 0.0039 0.0256 0.1273
Echinococcus granulosus FAD linked sulfhydryl oxidase ALR 0.0039 0.0256 0.0256
Leishmania major AMP deaminase, putative 0.0034 0.0196 0.0619
Plasmodium vivax adenosine deaminase, putative 0.0104 0.1055 1
Leishmania major heat shock protein 83-1 0.0037 0.0231 0.1001
Trypanosoma brucei heat shock protein 90, putative 0.0037 0.0231 0.361
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.0056 0.0471 0.0471
Brugia malayi Transient-receptor-potential like protein 0.0041 0.0281 0.0281
Echinococcus granulosus Peptidase C19 ubiquitin carboxyl terminal hydrolase 2 0.0042 0.0293 0.0293
Echinococcus multilocularis heat shock protein 0.0037 0.0231 0.0231
Mycobacterium leprae Probable adenosine deaminase Add (ADENOSINE AMINOHYDROLASE) 0.0104 0.1055 1
Schistosoma mansoni transient receptor potential channel 0.0109 0.1124 0.1124
Toxoplasma gondii heat shock protein HSP90 0.0037 0.0231 0.0408
Trypanosoma brucei Heat shock protein 83, putative 0.0037 0.0231 0.361
Brugia malayi Ubiquitin carboxyl-terminal hydrolase family protein 0.0042 0.0293 0.0293
Leishmania major heat shock protein 83-1 0.0037 0.0231 0.1001
Toxoplasma gondii Erv1 / Alr family protein 0.0039 0.0256 0.0698
Echinococcus multilocularis AMP deaminase 2 0.0034 0.0196 0.0196
Trypanosoma cruzi AMP deaminase, putative 0.0034 0.0196 0.6063
Entamoeba histolytica heat shock protein 90, putative 0.0037 0.0231 0.0408
Trypanosoma cruzi Present in the outer mitochondrial membrane proteome 4 0.0039 0.0256 0.8497
Loa Loa (eye worm) hypothetical protein 0.007 0.064 0.064
Schistosoma mansoni heat shock protein 0.0037 0.0231 0.0231
Echinococcus granulosus TRP transient receptor potential channel 0.0041 0.0281 0.0281
Plasmodium falciparum heat shock protein 90 0.0037 0.0231 0.1743
Trichomonas vaginalis heat shock protein, putative 0.0037 0.0231 0.1743
Plasmodium vivax heat shock protein 86, putative 0.0037 0.0231 0.0408
Trypanosoma cruzi heat shock protein 85, putative 0.0037 0.0231 0.7484
Brugia malayi Augmenter of liver regeneration 0.0039 0.0256 0.0256
Loa Loa (eye worm) hypothetical protein 0.0037 0.0236 0.0236
Echinococcus multilocularis endoplasmin 0.0029 0.014 0.014
Trypanosoma cruzi AMP deaminase, putative 0.0034 0.0196 0.6063
Schistosoma mansoni transient receptor potential channel 0.0072 0.067 0.067
Plasmodium falciparum adenosine deaminase 0.0104 0.1055 1
Trypanosoma brucei heat shock protein, putative 0.0037 0.0231 0.361
Leishmania major ubiquitin hydrolase, putative,cysteine peptidase, Clan CA, family C19, putative 0.0042 0.0293 0.1678
Leishmania major heat shock protein 83-1 0.0037 0.0231 0.1001
Leishmania major heat shock protein 83-1 0.0037 0.0231 0.1001
Treponema pallidum adenosine deaminase 0.0104 0.1055 1
Trypanosoma cruzi heat shock protein 90, putative 0.0029 0.014 0.3764
Leishmania major adenosine monophosphate deaminase, putative,AMP deaminase, putative 0.0034 0.0196 0.0619
Echinococcus multilocularis ubiquitin specific protease 41 0.0042 0.0293 0.0293
Trichomonas vaginalis heat shock protein, putative 0.0029 0.014 0.0825
Echinococcus multilocularis FAD linked sulfhydryl oxidase ALR 0.0039 0.0256 0.0256

Activities

Activity type Activity value Assay description Source Reference
Ki (binding) = 0.00000012 M Binding affinity against calf intestine adenosine deaminase enzyme ChEMBL. 6699873
Ki (binding) = 0.00000012 M Binding affinity against calf intestine adenosine deaminase enzyme ChEMBL. 6699873

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

No external resources registered 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.