Detailed information for compound 1806903

Basic information

Technical information
  • TDR Targets ID: 1806903
  • Name: 1-(3,4-dichlorophenoxy)butan-2-yl N-(phenylme thyl)carbamate
  • MW: 368.254 | Formula: C18H19Cl2NO3
  • H donors: 1 H acceptors: 1 LogP: 5.32 Rotable bonds: 9
    Rule of 5 violations (Lipinski): 1
  • SMILES: CCC(OC(=O)NCc1ccccc1)COc1ccc(c(c1)Cl)Cl
  • InChi: 1S/C18H19Cl2NO3/c1-2-14(12-23-15-8-9-16(19)17(20)10-15)24-18(22)21-11-13-6-4-3-5-7-13/h3-10,14H,2,11-12H2,1H3,(H,21,22)
  • InChiKey: MIGIJAJHKGNUPX-UHFFFAOYSA-N  

Network

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Synonyms

  • 1-[(3,4-dichlorophenoxy)methyl]propyl N-(phenylmethyl)carbamate
  • N-(phenylmethyl)carbamic acid 1-[(3,4-dichlorophenoxy)methyl]propyl ester
  • N-(benzyl)carbamic acid 1-[(3,4-dichlorophenoxy)methyl]propyl ester

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Synechococcus elongatus (strain PCC 7942) (Anacystis nidulans R2) 15-cis-phytoene desaturase Starlite/ChEMBL References

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Mycobacterium tuberculosis Possible oxidoreductase Get druggable targets OG5_136205 All targets in OG5_136205

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 cell adhesion molecule 0.0093 0.0047 0.0054
Echinococcus granulosus epidermal growth factor receptor 0.1001 0.8674 1
Echinococcus multilocularis epidermal growth factor receptor 0.1001 0.8674 1
Mycobacterium tuberculosis Possible oxidoreductase 0.0558 0.4472 0.5
Onchocerca volvulus Tyrosine kinase homolog 0.1065 0.9287 1
Schistosoma mansoni tyrosine kinase 0.0322 0.2222 0.2561
Echinococcus granulosus neurotracting:lsamp:neurotrimin:obcam 0.0093 0.0047 0.0054
Echinococcus multilocularis insulin growth factor 1 receptor beta 0.0322 0.2222 0.2561
Schistosoma mansoni tyrosine kinase 0.053 0.4206 0.4849
Schistosoma mansoni tyrosine kinase 0.0539 0.4286 0.4942
Schistosoma mansoni tyrosine kinase 0.0539 0.4286 0.4942
Echinococcus multilocularis roundabout 2 0.0111 0.0217 0.025
Echinococcus granulosus epidermal growth factor receptor 0.0539 0.4286 0.4942
Schistosoma mansoni tyrosine kinase 0.053 0.4206 0.4849
Loa Loa (eye worm) TK/INSR protein kinase 0.0322 0.2222 0.2185
Echinococcus multilocularis epidermal growth factor receptor 0.0539 0.4286 0.4942
Schistosoma mansoni tyrosine kinase 0.053 0.4206 0.4849
Schistosoma mansoni tyrosine kinase 0.0322 0.2222 0.2561
Echinococcus granulosus roundabout 2 0.0111 0.0217 0.025
Loa Loa (eye worm) hypothetical protein 0.0111 0.0217 0.0171
Schistosoma mansoni tyrosine kinase 0.1001 0.8674 1
Echinococcus multilocularis insulin receptor 0.0322 0.2222 0.2561
Loa Loa (eye worm) TK/EGFR protein kinase 0.1001 0.8674 0.8668
Echinococcus granulosus insulin receptor 0.0322 0.2222 0.2561
Echinococcus granulosus insulin growth factor 1 receptor beta 0.0322 0.2222 0.2561
Loa Loa (eye worm) hypothetical protein 0.0111 0.0217 0.0171
Brugia malayi Furin-like cysteine rich region family protein 0.1001 0.8674 0.8295
Echinococcus multilocularis 0.0309 0.21 0.2421
Echinococcus granulosus melanoma receptor tyrosine protein kinase 0.0539 0.4286 0.4942
Loa Loa (eye worm) TK/KIN16 protein kinase 0.114 1 1

Activities

Activity type Activity value Assay description Source Reference
IC50 (binding) > 4 Inhibition of Capsicum annuum (pepper) zeta-carotene desaturase expressed in Escherichia coli using zeta-carotene as substrate after 8 hr by Dixon plot analysis ChEMBL. 12720390
IC50 (binding) = 6.5 Inhibition of Synechococcus PCC 7942 phytoene desaturase expressed in Escherichia coli JM101 using phytoene as substrate after 8 hr by Dixon plot analysis ChEMBL. 12720390

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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