Detailed information for compound 1111672

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 283.39 | Formula: C13H21N3O2S
  • H donors: 0 H acceptors: 3 LogP: 2.48 Rotable bonds: 5
    Rule of 5 violations (Lipinski): 1
  • SMILES: O=C(Cc1nsnc1N1CCCCC1)OC(C)(C)C
  • InChi: 1S/C13H21N3O2S/c1-13(2,3)18-11(17)9-10-12(15-19-14-10)16-7-5-4-6-8-16/h4-9H2,1-3H3
  • InChiKey: HFZWUJMJOXMIQP-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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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
Schistosoma mansoni protein kinase 0.0031 0.0484 0.1927
Echinococcus multilocularis calcium:calmodulin dependent protein kinase type 0.0031 0.0484 0.1927
Onchocerca volvulus Putative transporter 0.0014 0.0084 0.5
Mycobacterium ulcerans sugar transporter 0.0014 0.0084 0.2954
Loa Loa (eye worm) major facilitator superfamily transporter 0.0014 0.0084 0.0199
Plasmodium falciparum calcium-dependent protein kinase 1 0.0031 0.0484 0.0404
Chlamydia trachomatis lysine--tRNA ligase 0.0023 0.0283 1
Loa Loa (eye worm) hypothetical protein 0.0049 0.0892 0.4015
Mycobacterium ulcerans lysyl-tRNA synthetase 0.0023 0.0283 1
Schistosoma mansoni lysyl-tRNA synthetase 0.0023 0.0283 0.0961
Trichomonas vaginalis lysyl-tRNA synthetase, putative 0.002 0.0217 0.0641
Loa Loa (eye worm) pigment dispersing factor receptor c 0.0049 0.0892 0.4015
Echinococcus multilocularis calcium:calmodulin dependent protein kinase type 0.0031 0.0484 0.1927
Trypanosoma brucei calcium/calmodulin-dependent protein kinase, putative 0.0031 0.0484 0.7919
Toxoplasma gondii calcium-dependent protein kinase CDPK3 0.0031 0.0484 0.0617
Loa Loa (eye worm) hypothetical protein 0.0014 0.0084 0.0199
Entamoeba histolytica prolyl-tRNA synthetase, putative 0.0031 0.0469 0.9253
Echinococcus granulosus calcium:calmodulin dependent protein kinase type 0.0031 0.0484 0.1927
Brugia malayi Calcium/calmodulin-dependent protein kinase type II alpha chain 0.0031 0.0484 0.1927
Brugia malayi bifunctional aminoacyl-tRNA synthetase 0.0031 0.0469 0.1855
Loa Loa (eye worm) hypothetical protein 0.0014 0.0084 0.0199
Echinococcus granulosus cadherin EGF LAG seven pass G type receptor 0.0015 0.0107 0.0113
Leishmania major protein kinase, putative 0.0031 0.0484 0.7919
Mycobacterium leprae Probable prolyl tRNA synthetase ProS 0.0031 0.0469 1
Giardia lamblia Prolyl-tRNA synthetase 0.0031 0.0469 1
Echinococcus multilocularis solute carrier family 2, facilitated glucose 0.0102 0.216 1
Plasmodium vivax calcium-dependent protein kinase 1, putative 0.0031 0.0484 0.0404
Onchocerca volvulus 0.0014 0.0084 0.5
Echinococcus multilocularis cadherin EGF LAG seven pass G type receptor 0.0015 0.0107 0.0113
Trypanosoma brucei THT1 - hexose transporter, putative 0.0032 0.0493 0.8107
Echinococcus granulosus GPCR family 2 0.0015 0.0107 0.0113
Schistosoma mansoni lysyl-tRNA synthetase 0.0023 0.0283 0.0961
Mycobacterium ulcerans fusion protein of transposase for IS2606 and sialic acid-transport integral membrane protein NanT 0.0014 0.0084 0.2954
Plasmodium vivax calcium-dependent protein kinase, putative 0.0031 0.0484 0.0404
Loa Loa (eye worm) sugar transporter 0.0014 0.0084 0.0199
Trypanosoma brucei glucose transporter, putative 0.0032 0.0493 0.8107
Plasmodium vivax calcium-dependent protein kinase 4, putative 0.0031 0.0484 0.0404
Trichomonas vaginalis glucose transporter, putative 0.0032 0.0493 0.1973
Onchocerca volvulus 0.0014 0.0084 0.5
Treponema pallidum prolyl-tRNA synthetase 0.0011 0 0.5
Leishmania major glucose transporter, lmgt3 0.0032 0.0493 0.8107
Schistosoma mansoni hypothetical protein 0.0015 0.0107 0.0113
Mycobacterium ulcerans integral membrane transport protein 0.0014 0.0084 0.2954
Onchocerca volvulus 0.0014 0.0084 0.5
Echinococcus multilocularis glutamyl tRNA synthetase cytoplasmic 0.0031 0.0469 0.1855
Trichomonas vaginalis conserved hypothetical protein 0.0032 0.0493 0.1973
Echinococcus multilocularis diuretic hormone 44 receptor GPRdih2 0.0015 0.0107 0.0113
Trypanosoma brucei glucose transporter, putative 0.0032 0.0493 0.8107
Trypanosoma cruzi hexose transporter, putative 0.0017 0.0154 0.1383
Leishmania major prolyl-tRNA synthetase, putative,bifunctional aminoacyl-tRNA synthetase, putative 0.0036 0.0589 1
Echinococcus granulosus solute carrier family 2 facilitated glucose 0.0102 0.216 1
Leishmania major lysyl-tRNA synthetase, putative 0.0023 0.0283 0.395
Plasmodium vivax lysine--tRNA ligase, putative 0.0023 0.0283 0.0201
Trypanosoma cruzi lysyl-tRNA synthetase, putative 0.0023 0.0283 0.395
Schistosoma mansoni protein kinase 0.0031 0.0484 0.1927
Echinococcus granulosus calcium:calmodulin dependent protein kinase type 1 0.0031 0.0484 0.1927
Echinococcus granulosus solute carrier family 2 facilitated glucose 0.0102 0.216 1
Trypanosoma cruzi hexose transporter 0.0032 0.0493 0.8107
Echinococcus multilocularis calcium dependent protein kinase 0.0029 0.0438 0.1707
Plasmodium vivax CDK-related protein kinase 6, putative 0.0434 1 1
Loa Loa (eye worm) major facilitator superfamily transporter 0.0014 0.0084 0.0199
Brugia malayi Calcitonin receptor-like protein seb-1 0.0049 0.0892 0.3893
Echinococcus granulosus General substrate transporter 0.0088 0.1821 0.8364
Trichomonas vaginalis sugar transporter, putative 0.0032 0.0493 0.1973
Loa Loa (eye worm) hypothetical protein 0.0014 0.0084 0.0199
Trichomonas vaginalis glucose transporter, putative 0.0032 0.0493 0.1973
Loa Loa (eye worm) hypothetical protein 0.0023 0.0283 0.1141
Loa Loa (eye worm) calcium/calmodulin-dependent protein kinase ID 0.0031 0.0484 0.2088
Trypanosoma brucei glucose transporter, putative 0.0032 0.0493 0.8107
Schistosoma mansoni glutamyl-tRNA synthetase cytoplasmic (glutamate--tRNA ligase) (glurs) 0.0031 0.0469 0.1855
Trypanosoma brucei glucose transporter, putative 0.0032 0.0493 0.8107
Onchocerca volvulus 0.0014 0.0084 0.5
Wolbachia endosymbiont of Brugia malayi major facilitator superfamily permease 0.0014 0.0084 0.5
Trypanosoma brucei glucose transporter, putative 0.0032 0.0493 0.8107
Echinococcus granulosus solute carrier family 2 facilitated glucose 0.0102 0.216 1
Loa Loa (eye worm) hypothetical protein 0.0031 0.0469 0.2017
Trichomonas vaginalis sugar transporter, putative 0.0032 0.0493 0.1973
Schistosoma mansoni glutamyl-tRNA synthetase cytoplasmic (glutamate--tRNA ligase) (glurs) 0.0031 0.0469 0.1855
Trichomonas vaginalis prolyl-tRNA synthetase, putative 0.0031 0.0469 0.1855
Echinococcus multilocularis solute carrier family 2 facilitated glucose 0.0102 0.216 1
Giardia lamblia Lysyl-tRNA synthetase 0.0023 0.0283 0.5182
Echinococcus multilocularis GPCR, family 2 0.0015 0.0107 0.0113
Loa Loa (eye worm) hypothetical protein 0.0014 0.0084 0.0199
Onchocerca volvulus 0.0014 0.0084 0.5
Onchocerca volvulus 0.0014 0.0084 0.5
Trypanosoma brucei glucose transporter, putative 0.0032 0.0493 0.8107
Loa Loa (eye worm) hypothetical protein 0.0014 0.0084 0.0199
Onchocerca volvulus 0.0014 0.0084 0.5
Onchocerca volvulus 0.0014 0.0084 0.5
Brugia malayi lysyl-tRNA synthetase 0.0023 0.0283 0.0961
Plasmodium vivax mitogen-activated protein kinase 2, putative 0.0165 0.3649 0.3595
Brugia malayi calcium-independent alpha-latrotoxin receptor 2, putative 0.0015 0.0107 0.0113
Loa Loa (eye worm) hypothetical protein 0.0014 0.0084 0.0199
Trichomonas vaginalis sugar transporter, putative 0.0032 0.0493 0.1973
Brugia malayi Latrophilin receptor protein 2 0.0015 0.0107 0.0113
Echinococcus multilocularis calcium:calmodulin dependent protein kinase type 0.0031 0.0484 0.1927
Trypanosoma brucei THT1 - hexose transporter, putative 0.0032 0.0493 0.8107
Plasmodium falciparum hexose transporter 0.0102 0.216 0.2094
Schistosoma mansoni hypothetical protein 0.0102 0.216 1
Echinococcus granulosus calcium:calmodulin dependent protein kinase type 0.0031 0.0484 0.1927
Loa Loa (eye worm) hypothetical protein 0.0014 0.0084 0.0199
Onchocerca volvulus 0.0014 0.0084 0.5
Loa Loa (eye worm) hypothetical protein 0.0014 0.0084 0.0199
Echinococcus granulosus glutamyl tRNA synthetase cytoplasmic 0.0031 0.0469 0.1855
Plasmodium falciparum lysine--tRNA ligase 0.0023 0.0283 0.0201
Mycobacterium tuberculosis Lysyl-tRNA synthetase 2 LysX 0.0019 0.0202 1
Brugia malayi Cam kinase protein 1 0.0031 0.0484 0.1927
Loa Loa (eye worm) hypothetical protein 0.0025 0.0333 0.1375
Trichomonas vaginalis conserved hypothetical protein 0.0032 0.0493 0.1973
Onchocerca volvulus 0.0014 0.0084 0.5
Trypanosoma brucei glucose transporter 2A 0.0032 0.0493 0.8107
Brugia malayi latrophilin 2 splice variant baaae 0.0033 0.0529 0.2144
Plasmodium falciparum calcium-dependent protein kinase 2 0.0031 0.0484 0.0404
Plasmodium vivax hexose transporter 0.0102 0.216 0.2094
Plasmodium falciparum mitogen-activated protein kinase 2 0.0165 0.3649 0.3595
Echinococcus multilocularis solute carrier family 2 facilitated glucose 0.0102 0.216 1
Toxoplasma gondii calcium-dependent protein kinase CDPK2A 0.0031 0.0484 0.0617
Onchocerca volvulus 0.0014 0.0084 0.5
Loa Loa (eye worm) hypothetical protein 0.0031 0.0484 0.2088
Schistosoma mansoni glucose transport protein 0.0102 0.216 1
Onchocerca volvulus 0.0014 0.0084 0.5
Echinococcus granulosus calcium:calmodulin dependent protein kinase type 0.0031 0.0484 0.1927
Loa Loa (eye worm) hypothetical protein 0.0014 0.0084 0.0199
Trypanosoma brucei bifunctional aminoacyl-tRNA synthetase, putative 0.0036 0.0589 1
Loa Loa (eye worm) hypothetical protein 0.0015 0.0107 0.031
Leishmania major prolyl-tRNA synthetase, putative,bifunctional aminoacyl-tRNA synthetase, putative 0.0036 0.0589 1
Plasmodium falciparum calcium-dependent protein kinase 4 0.0031 0.0484 0.0404
Toxoplasma gondii prolyl-tRNA synthetase (ProRS) 0.0036 0.0589 0.0779
Trypanosoma brucei lysyl-tRNA synthetase, putative 0.0023 0.0283 0.395
Toxoplasma gondii lysine-tRNA ligase 0.0023 0.0283 0.0308
Trypanosoma brucei THT1 - hexose transporter, putative 0.0032 0.0493 0.8107
Plasmodium vivax calcium-dependent protein kinase 3, putative 0.0031 0.0484 0.0404
Entamoeba histolytica protein kinase, putative 0.0031 0.0484 1
Echinococcus granulosus calcium dependent protein kinase 0.0029 0.0438 0.1707
Plasmodium falciparum proline--tRNA ligase 0.0036 0.0589 0.051
Trichomonas vaginalis lysyl-tRNA synthetase, putative 0.0023 0.0283 0.0961
Toxoplasma gondii calcium-dependent protein kinase CDPK2B 0.0031 0.0484 0.0617
Schistosoma mansoni serine/threonine protein kinase 0.0031 0.0484 0.1927
Leishmania major glucose transporter, lmgt1 0.0032 0.0493 0.8107
Plasmodium falciparum calcium-dependent protein kinase 3 0.0031 0.0484 0.0404
Trypanosoma cruzi prolyl-tRNA synthetase, putative 0.0036 0.0589 1
Trypanosoma brucei glucose transporter 1E 0.0032 0.0493 0.8107
Trypanosoma brucei glucose transporter, putative 0.0032 0.0493 0.8107
Mycobacterium ulcerans sugar-transport integral membrane protein SugI 0.0014 0.0084 0.2954
Trypanosoma cruzi hexose transporter, putative 0.0032 0.0493 0.8107
Toxoplasma gondii protein kinase, putative 0.0289 0.6571 1
Trichomonas vaginalis conserved hypothetical protein 0.0102 0.216 1
Schistosoma mansoni protein kinase 0.0031 0.0484 0.1927
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.0049 0.0892 0.3893
Echinococcus multilocularis calcium:calmodulin dependent protein kinase type 0.0031 0.0484 0.1927
Toxoplasma gondii cell-cycle-associated protein kinase MAPK, putative 0.0165 0.3649 0.5495
Loa Loa (eye worm) hypothetical protein 0.0014 0.0084 0.0199
Plasmodium vivax proline--tRNA ligase, putative 0.0036 0.0589 0.051
Schistosoma mansoni glucose transport protein 0.0102 0.216 1
Brugia malayi Sugar transporter family protein 0.0102 0.216 1
Trypanosoma cruzi hexose transporter, putative 0.0032 0.0493 0.8107
Echinococcus granulosus solute carrier family 2 facilitated glucose 0.0102 0.216 1
Loa Loa (eye worm) hypothetical protein 0.0033 0.0529 0.23
Loa Loa (eye worm) hypothetical protein 0.0014 0.0084 0.0199
Echinococcus multilocularis General substrate transporter 0.0088 0.1821 0.8364
Schistosoma mansoni hypothetical protein 0.0015 0.0107 0.0113
Onchocerca volvulus 0.0014 0.0084 0.5
Echinococcus multilocularis lysyl tRNA synthetase 0.0023 0.0283 0.0961
Trypanosoma cruzi prolyl-tRNA synthetase, putative 0.0036 0.0589 1
Mycobacterium tuberculosis Lysyl-tRNA synthetase 1 LysS (lysine--tRNA ligase 1) (LysRS 1) (lysine translase) 0.0019 0.0202 1
Loa Loa (eye worm) hypothetical protein 0.0014 0.0084 0.0199
Onchocerca volvulus 0.0014 0.0084 0.5
Echinococcus granulosus lysyl tRNA synthetase 0.0023 0.0283 0.0961
Brugia malayi Bifunctional aminoacyl-tRNA synthetase 0.0031 0.0469 0.1855
Schistosoma mansoni glucose transport protein 0.0102 0.216 1
Leishmania major glucose transporter/membrane transporter D2, putative 0.0032 0.0493 0.8107
Echinococcus multilocularis solute carrier family 2 facilitated glucose 0.0102 0.216 1
Schistosoma mansoni hypothetical protein 0.0015 0.0107 0.0113
Onchocerca volvulus 0.0014 0.0084 0.5
Plasmodium falciparum calcium-dependent protein kinase 5 0.0031 0.0484 0.0404
Leishmania major glucose transporter, lmgt2 0.0032 0.0493 0.8107
Loa Loa (eye worm) hypothetical protein 0.0014 0.0084 0.0199
Trypanosoma cruzi hexose transporter, putative 0.0032 0.0493 0.8107
Mycobacterium leprae Possible lysyl-tRNA synthetase 2 LysX 0.0023 0.0283 0.3046
Loa Loa (eye worm) hypothetical protein 0.0031 0.0469 0.2017
Schistosoma mansoni hypothetical protein 0.0015 0.0107 0.0113
Loa Loa (eye worm) hypothetical protein 0.0014 0.0084 0.0199
Loa Loa (eye worm) sugar transporter 0.0102 0.216 1
Mycobacterium ulcerans lysyl-tRNA synthetase 0.0023 0.0283 1
Loa Loa (eye worm) hypothetical protein 0.0014 0.0084 0.0199
Loa Loa (eye worm) latrophilin receptor protein 2 0.0015 0.0107 0.031
Onchocerca volvulus 0.0014 0.0084 0.5
Schistosoma mansoni hypothetical protein 0.0033 0.0529 0.2144
Echinococcus granulosus diuretic hormone 44 receptor GPRdih2 0.0015 0.0107 0.0113
Loa Loa (eye worm) CAMK/CAMK2 protein kinase 0.0031 0.0484 0.2088
Trichomonas vaginalis CAMK family protein kinase 0.0031 0.0484 0.1927
Toxoplasma gondii facilitative glucose transporter GT1 0.0102 0.216 0.3201
Entamoeba histolytica protein kinase, putative 0.0031 0.0484 1
Plasmodium falciparum protein kinase 7 0.0289 0.6571 0.6542
Trypanosoma brucei glucose transporter, putative 0.0032 0.0493 0.8107

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.

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