Detailed information for compound 1918378

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 334.499 | Formula: C17H22N2OS2
  • H donors: 1 H acceptors: 2 LogP: 4.32 Rotable bonds: 9
    Rule of 5 violations (Lipinski): 1
  • SMILES: SCCCCCCC(=O)Nc1scc(n1)c1cccc(c1)C
  • InChi: 1S/C17H22N2OS2/c1-13-7-6-8-14(11-13)15-12-22-17(18-15)19-16(20)9-4-2-3-5-10-21/h6-8,11-12,21H,2-5,9-10H2,1H3,(H,18,19,20)
  • InChiKey: YXGRFUUXSGVGAN-UHFFFAOYSA-N  

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
Echinococcus multilocularis puromycin sensitive aminopeptidase 0.0098 0.1695 0.1695
Loa Loa (eye worm) hypothetical protein 0.0234 0.6535 0.7442
Loa Loa (eye worm) hypothetical protein 0.0211 0.5723 0.6517
Schistosoma mansoni furin-1 (S08 family) 0.0092 0.149 0.2603
Loa Loa (eye worm) peptidase family M13 containing protein 0.006 0.035 0.0399
Loa Loa (eye worm) hypothetical protein 0.006 0.035 0.0399
Echinococcus multilocularis aminopeptidase N 0.0332 1 1
Loa Loa (eye worm) hypothetical protein 0.0061 0.04 0.0456
Loa Loa (eye worm) hypothetical protein 0.006 0.035 0.0399
Echinococcus granulosus puromycin sensitive aminopeptidase 0.0098 0.1695 0.1695
Loa Loa (eye worm) hypothetical protein 0.0298 0.8782 1
Loa Loa (eye worm) hypothetical protein 0.0061 0.04 0.0456
Echinococcus granulosus puromycin sensitive aminopeptidase 0.0098 0.1695 0.1695
Loa Loa (eye worm) hypothetical protein 0.0061 0.04 0.0456
Echinococcus granulosus aminopeptidase N 0.0332 1 1
Echinococcus granulosus neuropeptide FF receptor 2 0.0238 0.6661 0.6661
Trichomonas vaginalis Clan SB, family S8, subtilisin-like serine peptidase 0.0128 0.2784 1
Trypanosoma brucei metallo-peptidase, Clan MA(E) Family M1 0.0098 0.1695 0.5
Leishmania major aminopeptidase, putative,metallo-peptidase, Clan MA(E), Family M1 0.0098 0.1695 0.5
Trichomonas vaginalis Clan SB, family S8, subtilisin-like serine peptidase 0.0128 0.2784 1
Echinococcus multilocularis neuropeptide FF receptor 2 0.0238 0.6661 0.6661
Brugia malayi Peptidase family M1 containing protein 0.0098 0.1695 0.067
Mycobacterium ulcerans aminopeptidase N PepN 0.0098 0.1695 1
Trypanosoma brucei Aminopeptidase M1, putative 0.0098 0.1695 0.5
Echinococcus granulosus furin 0.0211 0.5723 0.5723
Mycobacterium tuberculosis Probable zinc metalloprotease Zmp1 0.0081 0.1099 0.5
Brugia malayi proprotein convertase 2 0.0133 0.2939 0.2067
Echinococcus granulosus neuroendocrine convertase 2 0.0133 0.2939 0.2939
Echinococcus multilocularis endothelin converting enzyme 1 0.0081 0.1099 0.1099
Loa Loa (eye worm) hypothetical protein 0.0083 0.1169 0.1332
Mycobacterium leprae probable zinc metalloprotease 0.0081 0.1099 0.5
Echinococcus multilocularis proprotein convertase subtilisin:kexin type 5 0.0128 0.2784 0.2784
Brugia malayi endoprotease bli-4 precursor 0.0211 0.5723 0.5195
Echinococcus granulosus proprotein convertase subtilisin:kexin type 5 0.0128 0.2784 0.2784
Entamoeba histolytica aminopeptidase, putative 0.0098 0.1695 0.5
Loa Loa (eye worm) hypothetical protein 0.0063 0.0477 0.0543
Loa Loa (eye worm) hypothetical protein 0.0238 0.6661 0.7585
Brugia malayi hypothetical protein 0.0098 0.1695 0.067
Loa Loa (eye worm) hypothetical protein 0.0081 0.1099 0.1251
Echinococcus multilocularis puromycin sensitive aminopeptidase 0.0098 0.1695 0.1695
Trypanosoma cruzi Aminopeptidase M1, putative 0.0098 0.1695 1
Loa Loa (eye worm) peptidase family M13 containing protein 0.006 0.035 0.0399
Echinococcus multilocularis Peptidase M1, membrane alanine aminopeptidase, N terminal 0.0098 0.1695 0.1695
Loa Loa (eye worm) hypothetical protein 0.006 0.035 0.0399
Brugia malayi celfurPC protein 0.017 0.4274 0.3567
Loa Loa (eye worm) peptidase family M1 containing protein 0.0269 0.7754 0.8829
Trypanosoma brucei Aminopeptidase M1, putative 0.0098 0.1695 0.5
Echinococcus granulosus puromycin sensitive aminopeptidase 0.0098 0.1695 0.1695
Loa Loa (eye worm) hypothetical protein 0.0061 0.04 0.0456
Trichomonas vaginalis Clan MA, family M1, aminopeptidase N-like metallopeptidase 0.0098 0.1695 0.6087
Trypanosoma cruzi metallo-peptidase, clan MA(E), family M1, putative 0.0098 0.1695 1
Loa Loa (eye worm) hypothetical protein 0.0061 0.04 0.0456
Trichomonas vaginalis Clan MA, family M1, aminopeptidase N-like metallopeptidase 0.0098 0.1695 0.6087
Loa Loa (eye worm) hypothetical protein 0.0061 0.04 0.0456
Echinococcus multilocularis puromycin sensitive aminopeptidase 0.0098 0.1695 0.1695
Onchocerca volvulus 0.0332 1 1
Brugia malayi neuroendocrine convertase 1 precursor 0.0133 0.2939 0.2067
Loa Loa (eye worm) hypothetical protein 0.0081 0.1099 0.1251
Schistosoma mansoni subfamily S8B unassigned peptidase (S08 family) 0.0211 0.5723 1
Loa Loa (eye worm) hypothetical protein 0.0081 0.1099 0.1251
Loa Loa (eye worm) hypothetical protein 0.0063 0.0477 0.0543
Echinococcus multilocularis 0.017 0.4274 0.4274
Brugia malayi Tachykinin-like peptides receptor 99D 0.0238 0.6661 0.6249
Schistosoma mansoni family M13 unassigned peptidase (M13 family) 0.0081 0.1099 0.192
Echinococcus granulosus puromycin sensitive aminopeptidase 0.0098 0.1695 0.1695
Echinococcus multilocularis puromycin sensitive aminopeptidase 0.0098 0.1695 0.1695
Trypanosoma cruzi aminopeptidase, putative 0.0098 0.1695 1
Echinococcus granulosus endothelin converting enzyme 1 0.0081 0.1099 0.1099
Echinococcus multilocularis puromycin sensitive aminopeptidase 0.0063 0.0477 0.0477
Toxoplasma gondii peptidase family M13 protein 0.0081 0.1099 0.5
Schistosoma mansoni cytosol alanyl aminopeptidase (M01 family) 0.0098 0.1695 0.2961
Loa Loa (eye worm) hypothetical protein 0.006 0.035 0.0399
Loa Loa (eye worm) aminopeptidase N 0.0098 0.1695 0.193
Loa Loa (eye worm) endoprotease bli-4 0.0211 0.5723 0.6517
Leishmania major aminopeptidase-like protein,metallo-peptidase, Clan MA(E), Family M1 0.0098 0.1695 0.5
Schistosoma mansoni family M1 non-peptidase homologue (M01 family) 0.0063 0.0477 0.0833
Echinococcus multilocularis puromycin sensitive aminopeptidase 0.0098 0.1695 0.1695
Giardia lamblia High cysteine membrane protein Group 2 0.0079 0.1015 0.5
Echinococcus multilocularis neuroendocrine convertase 2 0.0133 0.2939 0.2939
Schistosoma mansoni aminopeptidase PILS (M01 family) 0.0098 0.1695 0.2961

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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