Detailed information for compound 2070556

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 303.422 | Formula: C16H21N3OS
  • H donors: 0 H acceptors: 2 LogP: 2.15 Rotable bonds: 6
    Rule of 5 violations (Lipinski): 1
  • SMILES: Cc1cnn(c1)CC1CCCN1C(=O)CCc1cscc1
  • InChi: 1S/C16H21N3OS/c1-13-9-17-18(10-13)11-15-3-2-7-19(15)16(20)5-4-14-6-8-21-12-14/h6,8-10,12,15H,2-5,7,11H2,1H3
  • InChiKey: VLSODKSOJIMGBF-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
Brugia malayi jmjC domain containing protein 0.0017 0.007 0.0086
Echinococcus multilocularis cathepsin L cysteine protease 0.0018 0.0138 0.0138
Schistosoma mansoni jumonji/arid domain-containing protein 0.0063 0.2855 0.2855
Schistosoma mansoni protein phosphatase 2C 0.0017 0.007 0.007
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0068 0.3177 0.3868
Trypanosoma brucei glucose-6-phosphate 1-dehydrogenase 0.015 0.8102 1
Schistosoma mansoni 3-hydroxyacyl-CoA dehydrogenase 0.0052 0.2164 0.2164
Trypanosoma cruzi Glucose-6-phosphate dehydrogenase, putative 0.0048 0.1967 0.2362
Toxoplasma gondii glucose-6-phosphate 1-dehydrogenase 0.0098 0.4964 0.6094
Loa Loa (eye worm) glucose-6-phosphate dehydrogenase 0.015 0.8102 1
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0068 0.3177 0.3868
Leishmania major cathepsin L-like protease 0.0068 0.3177 0.3868
Chlamydia trachomatis glucose-6-phosphate 1-dehydrogenase 0.015 0.8102 0.5
Brugia malayi Cathepsin L-like precursor 0.0018 0.0138 0.0171
Schistosoma mansoni jumonji/arid domain-containing protein 0.0063 0.2855 0.2855
Echinococcus multilocularis glucose 6 phosphate 1 dehydrogenase 0.015 0.8102 0.8102
Leishmania major glucose-6-phosphate 1-dehydrogenase, putative 0.015 0.8102 1
Echinococcus granulosus 3 hydroxyacyl coenzyme A dehydrogenase type 2 0.0052 0.2164 0.2164
Brugia malayi Cathepsin L-like precursor 0.0018 0.0138 0.0171
Brugia malayi Papain family cysteine protease containing protein 0.0018 0.0138 0.0171
Loa Loa (eye worm) Papain cysteine protease/cathepsin propeptide inhibitor-containing protein 0.0018 0.0138 0.0171
Echinococcus granulosus phd:f box containing protein 0.0017 0.007 0.007
Trypanosoma cruzi cysteine peptidase, putative 0.0068 0.3177 0.3868
Brugia malayi jmjC domain containing protein 0.0017 0.007 0.0086
Loa Loa (eye worm) hypothetical protein 0.0049 0.2037 0.2515
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.0049 0.2037 0.2515
Plasmodium vivax vivapain-2 0.0018 0.0138 0.0085
Leishmania major cathepsin L-like protease 0.0068 0.3177 0.3868
Echinococcus multilocularis 3 hydroxyacyl coenzyme A dehydrogenase type 2 0.0052 0.2164 0.2164
Brugia malayi jmjC domain containing protein 0.0063 0.2855 0.3524
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0068 0.3177 0.3868
Echinococcus granulosus cathepsin L cysteine proteinase 0.0018 0.0138 0.0138
Echinococcus granulosus Transcription factor JmjC domain containing protein 0.0063 0.2855 0.2855
Giardia lamblia Glucose-6-phosphate 1-dehydrogenase 0.015 0.8102 0.5
Echinococcus multilocularis phd:f box containing protein 0.0017 0.007 0.007
Echinococcus multilocularis lysine specific demethylase 6a 0.0017 0.007 0.007
Brugia malayi Cathepsin L-like precursor 0.0018 0.0138 0.0171
Brugia malayi glucose-6-phosphate dehydrogenase 0.015 0.8102 1
Trichomonas vaginalis glucosamine-6-phosphate isomerase, putative 0.015 0.8102 1
Echinococcus multilocularis JmjC domain containing protein 4 0.0017 0.007 0.007
Schistosoma mansoni hypothetical protein 0.0182 1 1
Brugia malayi hypothetical protein 0.0136 0.7241 0.8937
Mycobacterium ulcerans glucose-6-phosphate 1-dehydrogenase 0.0098 0.4964 0.4716
Echinococcus granulosus lysine specific demethylase 6a 0.0017 0.007 0.007
Echinococcus granulosus lysine specific demethylase 5A 0.0063 0.2855 0.2855
Loa Loa (eye worm) hypothetical protein 0.0017 0.007 0.0086
Trypanosoma cruzi glucose-6-phosphate 1-dehydrogenase, putative 0.005 0.2054 0.247
Loa Loa (eye worm) 3-hydroxyacyl-CoA dehydrogenase type II 0.0048 0.1955 0.2413
Plasmodium vivax glucose-6-phosphate 1-dehydrogenase, putative 0.015 0.8102 1
Schistosoma mansoni hypothetical protein 0.0034 0.1094 0.1094
Toxoplasma gondii glucose-6-phosphate 1-dehydrogenase 0.015 0.8102 1
Loa Loa (eye worm) jmjC domain-containing protein 0.0017 0.007 0.0086
Plasmodium falciparum glucose-6-phosphate dehydrogenase-6-phosphogluconolactonase 0.015 0.8102 1
Loa Loa (eye worm) ctsf protein 0.0018 0.0138 0.0171
Loa Loa (eye worm) hypothetical protein 0.0136 0.7241 0.8937
Brugia malayi Cathepsin L-like precursor 0.0018 0.0138 0.0171
Loa Loa (eye worm) cysteine protease 0.0018 0.0138 0.0171
Loa Loa (eye worm) cytochrome P450 family protein 0.0024 0.0474 0.0585
Plasmodium falciparum cysteine proteinase falcipain 2a 0.0018 0.0138 0.0085
Brugia malayi jmjC domain containing protein 0.0017 0.007 0.0086
Brugia malayi jmjC domain containing protein 0.0063 0.2855 0.3524
Brugia malayi Calcitonin receptor-like protein seb-1 0.0049 0.2037 0.2515
Echinococcus multilocularis cathepsin l cysteine peptidase 0.0018 0.0138 0.0138
Schistosoma mansoni glucose-6-phosphate 1-dehydrogenase 0.015 0.8102 0.8102
Echinococcus multilocularis lysine specific demethylase 5A 0.0063 0.2855 0.2855
Leishmania major cathepsin L-like protease 0.0018 0.0138 0.0085
Echinococcus multilocularis jumonji domain containing 1A 0.0017 0.007 0.007
Echinococcus multilocularis geminin 0.0182 1 1
Onchocerca volvulus 0.0136 0.7241 1
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0068 0.3177 0.3868
Echinococcus multilocularis Transcription factor, JmjC domain containing protein 0.0063 0.2855 0.2855
Echinococcus granulosus JmjC domain containing protein 4 0.0017 0.007 0.007
Toxoplasma gondii cathepsin CPL 0.0018 0.0138 0.0085
Loa Loa (eye worm) pigment dispersing factor receptor c 0.0049 0.2037 0.2515
Leishmania major cathepsin L-like protease 0.0068 0.3177 0.3868
Echinococcus granulosus cathepsin l1 0.0018 0.0138 0.0138
Treponema pallidum glucose-6-phosphate 1-dehydrogenase 0.015 0.8102 0.5
Echinococcus multilocularis cathepsin L cysteine protease 0.0018 0.0138 0.0138
Loa Loa (eye worm) jmjC domain-containing protein 0.0017 0.007 0.0086
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0068 0.3177 0.3868
Brugia malayi Cathepsin L-like precursor 0.0018 0.0138 0.0171
Leishmania major cathepsin L-like protease 0.0018 0.0138 0.0085
Loa Loa (eye worm) papain family cysteine protease containing protein 0.0018 0.0138 0.0171
Leishmania major cathepsin L-like protease 0.0018 0.0138 0.0085
Echinococcus multilocularis Jumonji, AT rich interactive domain 1B 0.0017 0.007 0.007
Schistosoma mansoni hypothetical protein 0.0182 1 1
Trypanosoma cruzi glucose-6-phosphate 1-dehydrogenase, putative 0.015 0.8102 1
Loa Loa (eye worm) fibroinase 0.0018 0.0138 0.0171
Trypanosoma cruzi cysteine peptidase, putative 0.0068 0.3177 0.3868
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0068 0.3177 0.3868
Plasmodium falciparum cysteine proteinase falcipain 3 0.0018 0.0138 0.0085
Schistosoma mansoni cathepsin F (C01 family) 0.0018 0.0138 0.0138
Schistosoma mansoni jumonji domain containing protein 0.0017 0.007 0.007
Schistosoma mansoni jumonji domain containing protein 0.0063 0.2855 0.2855
Echinococcus granulosus Jumonji AT rich interactive domain 1B 0.0017 0.007 0.007
Echinococcus multilocularis cysteine protease 0.0018 0.0138 0.0138
Echinococcus granulosus jumonji domain containing 1A 0.0017 0.007 0.007
Echinococcus multilocularis cysteine protease 0.0018 0.0138 0.0138
Trypanosoma cruzi cysteine peptidase, putative 0.0068 0.3177 0.3868
Entamoeba histolytica cysteine protease, putative 0.0018 0.0138 0.5
Echinococcus granulosus cathepsin l cysteine peptidase 0.0018 0.0138 0.0138
Echinococcus granulosus glucose 6 phosphate 1 dehydrogenase 0.015 0.8102 0.8102
Trypanosoma cruzi cruzipain precursor, putative 0.0068 0.3177 0.3868
Mycobacterium ulcerans glucose-6-phosphate 1-dehydrogenase 0.015 0.8102 1
Schistosoma mansoni phd/f-box containing protein 0.0017 0.007 0.007
Brugia malayi Cytochrome P450 family protein 0.0024 0.0474 0.0585
Loa Loa (eye worm) jmjC domain-containing protein 0.0063 0.2855 0.3524
Plasmodium falciparum cysteine proteinase falcipain 2b 0.0018 0.0138 0.0085
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0068 0.3177 0.3868
Loa Loa (eye worm) hypothetical protein 0.0017 0.007 0.0086
Mycobacterium tuberculosis Probable glucose-6-phosphate 1-dehydrogenase Zwf2 (G6PD) 0.0052 0.2194 1
Leishmania major cathepsin L-like protease 0.0018 0.0138 0.0085
Leishmania major 3-oxoacyl-(acyl-carrier protein) reductase, putative 0.0052 0.2164 0.2607
Trypanosoma cruzi cysteine peptidase, putative 0.0018 0.0138 0.0085
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0068 0.3177 0.3868
Brugia malayi jmjC domain containing protein 0.0017 0.007 0.0086
Leishmania major cysteine peptidase A (CPA) 0.0018 0.0138 0.0085
Trichomonas vaginalis 6-phosphogluconolactonase, putative 0.015 0.8102 1
Brugia malayi latrophilin 2 splice variant baaae 0.0034 0.1094 0.1351
Trichomonas vaginalis glucosamine-6-phosphate isomerase, putative 0.015 0.8102 1
Loa Loa (eye worm) hypothetical protein 0.0018 0.0138 0.0171
Schistosoma mansoni cathepsin F (C01 family) 0.0018 0.0138 0.0138
Trypanosoma cruzi major cysteine proteinase, putative 0.0054 0.2295 0.2771
Leishmania major cathepsin L-like protease 0.0018 0.0138 0.0085
Entamoeba histolytica cysteine proteinase, putative 0.0018 0.0138 0.5
Schistosoma mansoni phosphatidylserine receptor 0.0017 0.007 0.007
Loa Loa (eye worm) jmjC domain-containing protein 0.0017 0.007 0.0086
Brugia malayi 3-hydroxyacyl-CoA dehydrogenase type II 0.0052 0.2164 0.2671
Trypanosoma cruzi cysteine peptidase, clan CA, family C1, cathepsin L-like, putative 0.0062 0.2819 0.3423
Entamoeba histolytica cysteine proteinase, putative 0.0018 0.0138 0.5
Echinococcus multilocularis cathepsin l cysteine peptidase 0.0018 0.0138 0.0138
Plasmodium vivax vivapain-2 0.0018 0.0138 0.0085
Loa Loa (eye worm) hypothetical protein 0.0017 0.007 0.0086
Brugia malayi Cathepsin L-like precursor 0.0018 0.0138 0.0171
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0068 0.3177 0.3868
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0068 0.3177 0.3868
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0068 0.3177 0.3868
Schistosoma mansoni ubiquitously transcribed sex (X/Y) chromosome tetratricopeptide repeat protein-related 0.0017 0.007 0.007
Loa Loa (eye worm) hypothetical protein 0.0034 0.1094 0.1351

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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