Detailed information for compound 609324

Basic information

Technical information
  • TDR Targets ID: 609324
  • Name: 2-(4-methylphenyl)sulfanyl-N-(5-propan-2-yl-1 ,3,4-thiadiazol-2-yl)propanamide
  • MW: 321.461 | Formula: C15H19N3OS2
  • H donors: 1 H acceptors: 3 LogP: 4.04 Rotable bonds: 6
    Rule of 5 violations (Lipinski): 1
  • SMILES: O=C(C(Sc1ccc(cc1)C)C)Nc1nnc(s1)C(C)C
  • InChi: 1S/C15H19N3OS2/c1-9(2)14-17-18-15(21-14)16-13(19)11(4)20-12-7-5-10(3)6-8-12/h5-9,11H,1-4H3,(H,16,18,19)
  • InChiKey: VBJZUYKXZOWBCL-UHFFFAOYSA-N  


Substructure search Similarity search

Network

Hover on a compound node to display the structore

Synonyms

  • N-(5-isopropyl-1,3,4-thiadiazol-2-yl)-2-(4-methylphenyl)sulfanyl-propanamide
  • N-(5-isopropyl-1,3,4-thiadiazol-2-yl)-2-[(4-methylphenyl)thio]propanamide
  • N-(5-isopropyl-1,3,4-thiadiazol-2-yl)-2-[(4-methylphenyl)thio]propionamide
  • Oprea1_246320

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 Nuclear hormone receptor family member nhr-3 0.0259 0.3005 0.2134
Echinococcus multilocularis nuclear receptor subfamily 1 group D 0.0137 0.1353 0.4382
Onchocerca volvulus Nuclear receptor subfamily 6 group A member 1 homolog 0.0122 0.1155 0.0091
Loa Loa (eye worm) hypothetical protein 0.0122 0.1155 0.0054
Brugia malayi hypothetical protein 0.0122 0.1155 0.0054
Onchocerca volvulus 0.0122 0.1155 0.0091
Echinococcus multilocularis hepatocyte nuclear factor 4 alpha 0.0259 0.3005 1
Brugia malayi hypothetical protein 0.0122 0.1155 0.0054
Brugia malayi Nuclear hormone receptor E75 0.0122 0.1155 0.0054
Brugia malayi nuclear receptor NHR-88 0.0259 0.3005 0.2134
Onchocerca volvulus Bile acid receptor homolog 0.0259 0.3005 0.3592
Schistosoma mansoni nuclear receptor 0.0122 0.1155 0.3843
Echinococcus multilocularis nuclear receptor subfamily 4 group A 0.0122 0.1155 0.3708
Loa Loa (eye worm) hypothetical protein 0.0137 0.1353 0.0277
Schistosoma mansoni ecdysone-induced protein 78c (dr-78) 0.0137 0.1353 0.4502
Echinococcus granulosus Nuclear hormone receptor family member nhr 41 0.0259 0.3005 1
Schistosoma mansoni zinc finger protein 0.0122 0.1155 0.3843
Loa Loa (eye worm) hypothetical protein 0.0122 0.1155 0.0054
Echinococcus granulosus hepatocyte nuclear factor 4 alpha 0.0259 0.3005 1
Echinococcus multilocularis nuclear receptor 2DBD gamma 0.0259 0.3005 1
Trichomonas vaginalis glucosylceramidase, putative 0.0777 1 1
Brugia malayi Nuclear hormone receptor family member nhr-31 0.0259 0.3005 0.2134
Onchocerca volvulus Glucosylceramidase homolog 0.051 0.639 1
Brugia malayi hypothetical protein 0.0137 0.1353 0.0277
Echinococcus granulosus nuclear receptor subfamily 1 group D 0.0137 0.1353 0.4382
Brugia malayi Ligand-binding domain of nuclear hormone receptor family protein 0.0259 0.3005 0.2134
Schistosoma mansoni nuclear hormone receptor 0.0259 0.3005 1
Loa Loa (eye worm) nuclear hormone receptor-like 1 0.0137 0.1353 0.0277
Loa Loa (eye worm) hypothetical protein 0.0259 0.3005 0.2134
Echinococcus multilocularis nuclear receptor 2DBD gamma 0.0122 0.1155 0.3708
Brugia malayi ecdysteroid receptor 0.0259 0.3005 0.2134
Loa Loa (eye worm) hypothetical protein 0.0259 0.3005 0.2134
Loa Loa (eye worm) hypothetical protein 0.0122 0.1155 0.0054
Echinococcus multilocularis COUP TF:Svp nuclear hormone receptor 0.0259 0.3005 1
Trichomonas vaginalis glucosylceramidase, putative 0.0537 0.6761 0.1027
Brugia malayi Nuclear hormone receptor-like 1 0.0137 0.1353 0.0277
Loa Loa (eye worm) hypothetical protein 0.0259 0.3005 0.2134
Echinococcus granulosus Nuclear hormone receptor HR96 0.0122 0.1155 0.3708
Schistosoma mansoni nuclear hormone receptor superfamily protein-related 0.0122 0.1155 0.3843
Echinococcus multilocularis retinoic acid receptor rxr beta a retinoic acid receptor rxr alpha a retinoic acid receptor rxr alpha 0.0122 0.1155 0.3708
Brugia malayi Nuclear hormone receptor family member nhr-19 0.0259 0.3005 0.2134
Echinococcus multilocularis thyroid hormone receptor alpha 0.0259 0.3005 1
Schistosoma mansoni photoreceptor-specific nuclear receptor related 0.0259 0.3005 1
Schistosoma mansoni steroid hormone receptor ad4bp 0.0259 0.3005 1
Trichomonas vaginalis glucosylceramidase, putative 0.0537 0.6761 0.1027
Brugia malayi steroid hormone receptor 0.0259 0.3005 0.2134
Onchocerca volvulus Steroid hormone receptor family member cnr14 homolog 0.0259 0.3005 0.3592
Echinococcus granulosus FTZ F1 nuclear receptor protein 0.0259 0.3005 1
Brugia malayi Nuclear hormone receptor family member nhr-40 0.0259 0.3005 0.2134
Echinococcus granulosus nuclear receptor subfamily 4 group A 0.0122 0.1155 0.3708
Schistosoma mansoni retinoic acid receptor RXR 0.0259 0.3005 1
Echinococcus multilocularis Nuclear hormone receptor HR96 0.0122 0.1155 0.3708
Loa Loa (eye worm) hypothetical protein 0.0137 0.1353 0.0277
Schistosoma mansoni retinoid-x-receptor (RXR) 0.0259 0.3005 1
Loa Loa (eye worm) hypothetical protein 0.0122 0.1155 0.0054
Loa Loa (eye worm) nuclear hormone receptor 0.0122 0.1155 0.0054
Brugia malayi Nuclear hormone receptor-like 1 0.0137 0.1353 0.0277
Echinococcus multilocularis FTZ F1 alpha 0.0259 0.3005 1
Loa Loa (eye worm) O-glycosyl hydrolase family 30 protein 0.0777 1 1
Brugia malayi Nuclear hormone receptor family member nhr-25 0.0259 0.3005 0.2134
Trichomonas vaginalis glucosylceramidase, putative 0.0777 1 1
Schistosoma mansoni FTZ-F1 nuclear receptor-like protein 0.0259 0.3005 1
Brugia malayi photoreceptor-specific nuclear receptor 0.0259 0.3005 0.2134
Brugia malayi nuclear receptor RXR 0.0137 0.1353 0.0277
Echinococcus multilocularis ecdysone induced protein 78C 0.0259 0.3005 1
Loa Loa (eye worm) nuclear hormone receptor family member nhr-31 0.0259 0.3005 0.2134
Loa Loa (eye worm) steroid hormone receptor 0.0259 0.3005 0.2134
Brugia malayi nuclear hormone receptor 0.0122 0.1155 0.0054
Schistosoma mansoni nuclear receptor 0.0122 0.1155 0.3843
Loa Loa (eye worm) hypothetical protein 0.0259 0.3005 0.2134
Loa Loa (eye worm) hypothetical protein 0.0122 0.1155 0.0054
Echinococcus multilocularis Nuclear hormone receptor family member nhr 41 0.0259 0.3005 1
Loa Loa (eye worm) hypothetical protein 0.0122 0.1155 0.0054
Schistosoma mansoni RAR-like nuclear receptor 0.0259 0.3005 1
Echinococcus multilocularis Nuclear hormone receptor HR96 0.0122 0.1155 0.3708
Brugia malayi ecdysone receptor 0.0122 0.1155 0.0054
Echinococcus granulosus nuclear receptor 2DBD gamma 0.0259 0.3005 1
Loa Loa (eye worm) nuclear receptor NHR-67 0.0122 0.1155 0.0054
Loa Loa (eye worm) nuclear hormone receptor family member nhr-41 0.0259 0.3005 0.2134
Schistosoma mansoni nuclear hormone receptor nor-1/nor-2 0.0259 0.3005 1
Echinococcus granulosus ecdysone induced protein 78C 0.0259 0.3005 1
Loa Loa (eye worm) nuclear receptor nhr-7B 0.0122 0.1155 0.0054
Brugia malayi nuclear receptor RXR 0.0122 0.1155 0.0054
Trichomonas vaginalis glucosylceramidase, putative 0.0777 1 1
Loa Loa (eye worm) hypothetical protein 0.0122 0.1155 0.0054
Brugia malayi nuclear hormone receptor family member odr-7 0.0122 0.1155 0.0054
Brugia malayi orphan nuclear receptor NR2E1 0.0122 0.1155 0.0054
Brugia malayi Nuclear hormone receptor family member nhr-25 0.0259 0.3005 0.2134
Brugia malayi nuclear receptor NHR-67 0.0122 0.1155 0.0054
Echinococcus granulosus nuclear receptor nhr 48 0.0122 0.1155 0.3708
Loa Loa (eye worm) hypothetical protein 0.0259 0.3005 0.2134
Brugia malayi nuclear receptor NHR-88 0.0122 0.1155 0.0054
Echinococcus multilocularis nuclear receptor nhr 48 0.0122 0.1155 0.3708
Schistosoma mansoni coup transcription factor 0.0259 0.3005 1
Schistosoma mansoni retinoid-x-receptor (RXR) 0.0137 0.1353 0.4502
Brugia malayi Nuclear hormone receptor-like 1 0.0259 0.3005 0.2134
Echinococcus multilocularis nuclear receptor 2DBD gamma 0.0259 0.3005 1
Brugia malayi Steroid receptor seven-up type 2 0.0259 0.3005 0.2134
Onchocerca volvulus 0.0259 0.3005 0.3592
Echinococcus granulosus nuclear receptor 2DBD gamma 0.0122 0.1155 0.3708
Loa Loa (eye worm) hypothetical protein 0.0122 0.1155 0.0054
Loa Loa (eye worm) hypothetical protein 0.0122 0.1155 0.0054
Schistosoma mansoni nuclear hormone receptor 0.0122 0.1155 0.3843
Onchocerca volvulus Nuclear receptor subfamily 6 group A member 1 homolog 0.0122 0.1155 0.0091
Brugia malayi Nuclear hormone receptor E75 0.0122 0.1155 0.0054
Loa Loa (eye worm) nuclear Hormone Receptor family member 0.0259 0.3005 0.2134
Loa Loa (eye worm) hypothetical protein 0.0122 0.1155 0.0054
Loa Loa (eye worm) hypothetical protein 0.0122 0.1155 0.0054
Brugia malayi conserved hypotetical protein 0.0122 0.1155 0.0054
Echinococcus granulosus Nuclear hormone receptor HR96 0.0122 0.1155 0.3708
Onchocerca volvulus Protein ultraspiracle homolog 0.0259 0.3005 0.3592
Loa Loa (eye worm) hypothetical protein 0.0122 0.1155 0.0054
Loa Loa (eye worm) hypothetical protein 0.0137 0.1353 0.0277
Brugia malayi Ligand-binding domain of nuclear hormone receptor family protein 0.0259 0.3005 0.2134
Brugia malayi Nuclear hormone receptor family member nhr-19 0.0259 0.3005 0.2134
Echinococcus multilocularis FTZ F1 nuclear receptor protein 0.0259 0.3005 1
Loa Loa (eye worm) hypothetical protein 0.0259 0.3005 0.2134
Schistosoma mansoni Tr4/Tr2 (homologue) 0.0259 0.3005 1
Schistosoma mansoni nuclear hormone receptor 0.0122 0.1155 0.3843
Echinococcus granulosus FTZ F1 alpha 0.0259 0.3005 1
Trichomonas vaginalis glucosylceramidase, putative 0.0777 1 1
Schistosoma mansoni thyroid hormone receptor 0.0259 0.3005 1
Loa Loa (eye worm) hypothetical protein 0.0259 0.3005 0.2134
Brugia malayi nuclear hormone receptor family member nhr-6 0.0122 0.1155 0.0054
Loa Loa (eye worm) nuclear hormone receptor family member nhr-40 0.0259 0.3005 0.2134
Trichomonas vaginalis glucosylceramidase, putative 0.0777 1 1
Schistosoma mansoni hepatocyte nuclear factor 4-alpha (hnf-4-alpha) 0.0122 0.1155 0.3843
Brugia malayi Nuclear hormone receptor family member nhr-49 0.0259 0.3005 0.2134
Brugia malayi Nuclear hormone receptor family member nhr-41 0.0259 0.3005 0.2134
Loa Loa (eye worm) hypothetical protein 0.0137 0.1353 0.0277
Loa Loa (eye worm) DR-78 0.0122 0.1155 0.0054
Loa Loa (eye worm) nuclear hormone receptor family member nhr-49 0.0259 0.3005 0.2134
Echinococcus granulosus COUP TF:Svp nuclear hormone receptor 0.0259 0.3005 1
Brugia malayi tailless protein 0.0122 0.1155 0.0054
Loa Loa (eye worm) hypothetical protein 0.0259 0.3005 0.2134
Trichomonas vaginalis glucosylceramidase, putative 0.0777 1 1
Loa Loa (eye worm) hypothetical protein 0.0137 0.1353 0.0277
Brugia malayi nuclear hormone receptor 0.0259 0.3005 0.2134
Brugia malayi Nuclear hormone receptor family member nhr-14 0.0259 0.3005 0.2134
Schistosoma mansoni nuclear receptor 2DBD-gamma 0.0259 0.3005 1
Loa Loa (eye worm) hypothetical protein 0.0122 0.1155 0.0054
Brugia malayi Nuclear hormone receptor family member nhr-1 0.0259 0.3005 0.2134
Brugia malayi nuclear receptor subfamily 1, group D, member 1, putative 0.0122 0.1155 0.0054
Loa Loa (eye worm) nuclear hormone receptor family member nhr-14 0.0259 0.3005 0.2134
Echinococcus granulosus nuclear receptor 2DBD gamma 0.0259 0.3005 1
Loa Loa (eye worm) nuclear hormone receptor family member nhr-1 0.0259 0.3005 0.2134
Schistosoma mansoni thyroid hormone receptor 0.0259 0.3005 1
Echinococcus granulosus retinoic acid receptor rxr beta a 0.0259 0.3005 1
Schistosoma mansoni nuclear receptor nhr-48 0.0122 0.1155 0.3843
Brugia malayi hypothetical protein 0.0137 0.1353 0.0277
Onchocerca volvulus 0.0122 0.1155 0.0091
Echinococcus granulosus thyroid hormone receptor alpha 0.0122 0.1155 0.3708

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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