Detailed information for compound 446574

Basic information

Technical information
  • TDR Targets ID: 446574
  • Name: [4-(3,5-dichloropyridin-4-yl)oxyphenyl] N-met hyl-N-phenylcarbamate
  • MW: 389.232 | Formula: C19H14Cl2N2O3
  • H donors: 0 H acceptors: 2 LogP: 4.96 Rotable bonds: 6
    Rule of 5 violations (Lipinski): 1
  • SMILES: O=C(N(c1ccccc1)C)Oc1ccc(cc1)Oc1c(Cl)cncc1Cl
  • InChi: 1S/C19H14Cl2N2O3/c1-23(13-5-3-2-4-6-13)19(24)26-15-9-7-14(8-10-15)25-18-16(20)11-22-12-17(18)21/h2-12H,1H3
  • InChiKey: BZRVXOCJQXJASS-UHFFFAOYSA-N  

Network

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Synonyms

  • [4-[(3,5-dichloro-4-pyridyl)oxy]phenyl] N-methyl-N-phenyl-carbamate
  • N-methyl-N-phenylcarbamic acid [4-[(3,5-dichloro-4-pyridyl)oxy]phenyl] ester
  • [4-(3,5-dichloropyridin-4-yl)oxyphenyl] N-methyl-N-phenyl-carbamate
  • N-methyl-N-phenyl-carbamic acid [4-[(3,5-dichloro-4-pyridyl)oxy]phenyl] ester

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Homo sapiens lipase, hormone-sensitive Starlite/ChEMBL References

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_132840 All targets in OG5_132840
Echinococcus multilocularis hormone sensitive lipase Get druggable targets OG5_132840 All targets in OG5_132840
Schistosoma mansoni hormone-sensitive lipase (S09 family) Get druggable targets OG5_132840 All targets in OG5_132840
Schistosoma mansoni hormone-sensitive lipase (S09 family) Get druggable targets OG5_132840 All targets in OG5_132840
Schistosoma mansoni hormone-sensitive lipase (S09 family) Get druggable targets OG5_132840 All targets in OG5_132840
Echinococcus granulosus hormone sensitive lipase Get druggable targets OG5_132840 All targets in OG5_132840
Schistosoma japonicum Hormone-sensitive lipase, putative Get druggable targets OG5_132840 All targets in OG5_132840
Schistosoma japonicum ko:K07188 hormone-sensitive lipase [EC3.1.1.79], putative Get druggable targets OG5_132840 All targets in OG5_132840
Schistosoma japonicum Hormone-sensitive lipase, putative Get druggable targets OG5_132840 All targets in OG5_132840

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 prolyl oligopeptidase family protein 0.0068 0.0169 0.0169
Echinococcus multilocularis Dipeptidyl peptidase 9 0.0068 0.0169 0.0386
Loa Loa (eye worm) cytochrome P450 family protein 0.0072 0.0234 0.0304
Schistosoma mansoni subfamily S9B unassigned peptidase (S09 family) 0.0203 0.2268 0.5185
Loa Loa (eye worm) hypothetical protein 0.0296 0.3718 0.4835
Schistosoma mansoni hormone-sensitive lipase (S09 family) 0.0253 0.3049 0.697
Loa Loa (eye worm) prolyl oligopeptidase 0.0203 0.2268 0.2949
Schistosoma mansoni hormone-sensitive lipase (S09 family) 0.0253 0.3049 0.697
Brugia malayi prolyl oligopeptidase family protein 0.0203 0.2268 0.2268
Toxoplasma gondii dipeptidyl peptidase iv (dpp iv) n-terminal region domain-containing protein 0.0068 0.0169 1
Onchocerca volvulus Dipeptidyl peptidase family member 1 homolog 0.0203 0.2268 0.5185
Plasmodium falciparum transporter, putative 0.0057 0 0.5
Echinococcus multilocularis dipeptidyl aminopeptidaseprotein 0.0203 0.2268 0.5185
Schistosoma mansoni dipeptidyl-peptidase 9 (S09 family) 0.0068 0.0169 0.0386
Chlamydia trachomatis Ssodium-dependent amino acid transporter 0.0057 0 0.5
Schistosoma mansoni norepinephrine/norepinephrine transporter 0.0338 0.4374 1
Schistosoma mansoni alzheimer's disease beta-amyloid related 0.0255 0.3078 0.7037
Echinococcus granulosus serotonin transporter 0.0338 0.4374 1
Loa Loa (eye worm) hypothetical protein 0.0253 0.3049 0.3964
Schistosoma mansoni sodium/chloride dependent transporter 0.0338 0.4374 1
Loa Loa (eye worm) solute carrier family 6 member 4 0.0338 0.4374 0.5688
Trypanosoma cruzi serine peptidase, Clan SC, Family S9B 0.0068 0.0169 0.5
Echinococcus granulosus hormone sensitive lipase 0.0253 0.3049 0.697
Plasmodium vivax amine transporter, putative 0.0057 0 0.5
Loa Loa (eye worm) serotonin transporter b 0.0338 0.4374 0.5688
Echinococcus multilocularis serotonin transporter 0.0338 0.4374 1
Schistosoma mansoni hormone-sensitive lipase (S09 family) 0.0253 0.3049 0.697
Loa Loa (eye worm) hypothetical protein 0.0338 0.4374 0.5688
Loa Loa (eye worm) hypothetical protein 0.0148 0.1409 0.1831
Brugia malayi Cytochrome P450 family protein 0.0072 0.0234 0.0234
Loa Loa (eye worm) norepinephrine transporter 0.0338 0.4374 0.5688
Echinococcus granulosus dipeptidyl aminopeptidaseprotein 0.0203 0.2268 0.5185
Plasmodium falciparum amino acid transporter, putative 0.0057 0 0.5
Loa Loa (eye worm) hypothetical protein 0.0338 0.4374 0.5688
Plasmodium vivax hypothetical protein, conserved 0.0057 0 0.5
Trypanosoma cruzi dipeptidyl-peptidase 8-like serine peptidase 0.0068 0.0169 0.5
Loa Loa (eye worm) hypothetical protein 0.0551 0.7691 1
Schistosoma mansoni nuclear hormone receptor superfamily protein-related 0.0211 0.2388 0.546
Leishmania major dipeptidyl-peptidase 8-like serine peptidase, putative,serine peptidase, Clan SC, Family S9B 0.0068 0.0169 0.5
Loa Loa (eye worm) hypothetical protein 0.0338 0.4374 0.5688
Treponema pallidum sodium- and chloride- dependent transporter 0.0338 0.4374 0.5
Echinococcus granulosus Dipeptidyl peptidase 9 0.0068 0.0169 0.0386
Onchocerca volvulus 0.0338 0.4374 1
Trypanosoma brucei serine peptidase, Clan SC, Family S9B 0.0068 0.0169 0.5
Trypanosoma brucei Dipeptidyl-peptidase 8-like, putative 0.0068 0.0169 0.5
Echinococcus multilocularis hormone sensitive lipase 0.0253 0.3049 0.697
Brugia malayi Sodium:neurotransmitter symporter family protein 0.0338 0.4374 0.4374

Activities

Activity type Activity value Assay description Source Reference
IC50 (binding) = 8.5 uM Inhibition of recombinant human hormone-sensitive lipase ChEMBL. 17918819
IC50 (binding) = 8.5 uM Inhibition of recombinant human hormone-sensitive lipase ChEMBL. 17918819
IC50 (binding) > 50 uM Inhibition of acetylcholine esterase ChEMBL. 17918819
IC50 (binding) > 50 uM Inhibition of butyrylcholine esterase ChEMBL. 17918819
IC50 (binding) > 50 uM Inhibition of acetylcholine esterase ChEMBL. 17918819
IC50 (binding) > 50 uM Inhibition of butyrylcholine esterase ChEMBL. 17918819

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

1 literature reference was collected for this gene.

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