Detailed information for compound 579789

Basic information

Technical information
  • TDR Targets ID: 579789
  • Name: (4-methylsulfanylphenyl) dipropyl phosphate
  • MW: 304.342 | Formula: C13H21O4PS
  • H donors: 0 H acceptors: 1 LogP: 3.63 Rotable bonds: 9
    Rule of 5 violations (Lipinski): 1
  • SMILES: CCCOP(=O)(Oc1ccc(cc1)SC)OCCC
  • InChi: 1S/C13H21O4PS/c1-4-10-15-18(14,16-11-5-2)17-12-6-8-13(19-3)9-7-12/h6-9H,4-5,10-11H2,1-3H3
  • InChiKey: PWYIUEFFPNVCMW-UHFFFAOYSA-N  

Network

Hover on a compound node to display the structore

Synonyms

  • phosphoric acid [4-(methylthio)phenyl] dipropyl ester
  • propaphos
  • 7292-16-2
  • Propafos [ISO-French]
  • Propaphos [BSI:ISO]
  • 4-(methylsulfanyl)phenyl dipropyl phosphate
  • CHEBI:38858
  • 4-Methylthiophenyl dipropyl phosphate
  • BRN 2990614
  • HSDB 7134
  • Kayaphos
  • Kayphosnac
  • NK-1158
  • O,O-Di-n-propyl-O-(4-methylthiophenyl)phosphate
  • Phosphoric acid, 4-(methylthio)phenyl dipropyl ester (9CI)
  • Phosphoric acid, dipropyl 4-methylthiophenyl ester
  • Phosphoric acid, p-(methylthio)phenyl dipropyl ester

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 integrin alpha 3 0.0078 0.1036 0.2504
Echinococcus granulosus vesicular acetylcholine transporter 0.0175 0.4139 1
Echinococcus multilocularis guanine nucleotide binding protein (G protein) 0.0058 0.039 0.0942
Schistosoma mansoni GTP-binding protein (I) alpha-2 subunit gnai2 0.0058 0.039 0.0942
Loa Loa (eye worm) hypothetical protein 0.0357 1 1
Loa Loa (eye worm) hypothetical protein 0.0056 0.0337 0.0079
Loa Loa (eye worm) acetylcholinesterase 1 0.0106 0.1954 0.174
Echinococcus multilocularis guanine nucleotide binding protein (G protein) 0.0058 0.039 0.0942
Echinococcus granulosus carboxylesterase 5A 0.0106 0.1954 0.4721
Brugia malayi Carboxylesterase family protein 0.0106 0.1954 0.3246
Onchocerca volvulus Vesicular acetylcholine transporter homolog 0.0175 0.4139 1
Schistosoma mansoni GTP-binding protein (I) alpha-2 subunit gnai2 0.0058 0.039 0.0942
Brugia malayi Integrin alpha pat-2 precursor 0.0102 0.1797 0.2918
Trichomonas vaginalis GTP-binding protein alpha subunit, gna, putative 0.0058 0.039 0.5
Brugia malayi vesicular acetylcholine transporter unc-17 0.0175 0.4139 0.7779
Loa Loa (eye worm) hypothetical protein 0.0058 0.039 0.0134
Schistosoma mansoni family S9 non-peptidase homologue (S09 family) 0.0106 0.1954 0.4721
Brugia malayi tRNA modification GTPase TrmE family protein 0.0084 0.1219 0.172
Loa Loa (eye worm) vesicular acetylcholine transporter unc-17 0.0175 0.4139 0.3983
Loa Loa (eye worm) carboxylesterase 0.0106 0.1954 0.174
Echinococcus granulosus acetylcholinesterase 0.0106 0.1954 0.4721
Loa Loa (eye worm) hypothetical protein 0.0058 0.039 0.0134
Loa Loa (eye worm) hypothetical protein 0.0106 0.1954 0.174
Echinococcus multilocularis acetylcholinesterase 0.0106 0.1954 0.4721
Trichomonas vaginalis GTP-binding protein alpha subunit, gna, putative 0.0058 0.039 0.5
Loa Loa (eye worm) integrin beta-2 0.0208 0.521 0.5082
Brugia malayi Integrin beta pat-3 precursor 0.0208 0.521 1
Echinococcus granulosus guanine nucleotide binding protein G protein 0.0058 0.039 0.0942
Echinococcus multilocularis vesicular acetylcholine transporter 0.0175 0.4139 1
Schistosoma mansoni integrin alpha 0.0102 0.1797 0.434
Entamoeba histolytica G protein alpha subunit, putative 0.0058 0.039 0.5
Schistosoma mansoni vesicular acetylcholine transporter 0.0175 0.4139 1
Trichomonas vaginalis GTP-binding protein (z) alpha subunit, gnaz, putative 0.0058 0.039 0.5
Echinococcus multilocularis gtp binding protein (I) alpha 1subunit 0.0058 0.039 0.0942
Loa Loa (eye worm) hypothetical protein 0.0106 0.1954 0.174
Echinococcus multilocularis integrin beta 2 0.0154 0.3481 0.841
Loa Loa (eye worm) integrin alpha pat-2 0.0157 0.356 0.3388
Loa Loa (eye worm) hypothetical protein 0.0084 0.1219 0.0985
Loa Loa (eye worm) hypothetical protein 0.008 0.1097 0.0859
Loa Loa (eye worm) hypothetical protein 0.0084 0.1219 0.0985
Brugia malayi Carboxylesterase family protein 0.0106 0.1954 0.3246
Schistosoma mansoni integrin beta subunit 0.0122 0.2468 0.5962
Schistosoma mansoni trimeric G-protein alpha o subunit 0.0058 0.039 0.0942
Trichomonas vaginalis G protein (olf) alpha subunit, gnal, putative 0.0058 0.039 0.5
Loa Loa (eye worm) GTP-binding regulatory protein alpha chain 0.0058 0.039 0.0134
Echinococcus granulosus guanine nucleotide binding protein G protein 0.0058 0.039 0.0942
Schistosoma mansoni GTP-binding protein (I) alpha-1subunit gnai1 0.0058 0.039 0.0942
Echinococcus granulosus acetylcholinesterase 0.0106 0.1954 0.4721
Brugia malayi Integrin alpha cytoplasmic region family protein 0.0077 0.1003 0.1273
Echinococcus granulosus integrin alpha 3 0.0078 0.1036 0.2504
Loa Loa (eye worm) heterotrimeric G protein alpha subunit 0.0058 0.039 0.0134
Echinococcus multilocularis acetylcholinesterase 0.0106 0.1954 0.4721
Echinococcus granulosus gtp binding protein I alpha 1subunit 0.0058 0.039 0.0942
Schistosoma mansoni GTP-binding protein (I) alpha-1subunit gnai1 0.0058 0.039 0.0942
Echinococcus granulosus integrin beta 2 0.0154 0.3481 0.841
Echinococcus multilocularis carboxylesterase 5A 0.0106 0.1954 0.4721
Loa Loa (eye worm) hypothetical protein 0.0058 0.039 0.0134
Loa Loa (eye worm) hypothetical protein 0.0077 0.1003 0.0763

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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