Detailed information for compound 667775

Basic information

Technical information
  • TDR Targets ID: 667775
  • Name: 5-chloro-N-[(3-iodo-5-methoxy-4-prop-2-enoxyp henyl)methyl]-2-methylaniline
  • MW: 443.706 | Formula: C18H19ClINO2
  • H donors: 1 H acceptors: 0 LogP: 5.63 Rotable bonds: 7
    Rule of 5 violations (Lipinski): 1
  • SMILES: C=CCOc1c(I)cc(cc1OC)CNc1cc(Cl)ccc1C
  • InChi: 1S/C18H19ClINO2/c1-4-7-23-18-15(20)8-13(9-17(18)22-3)11-21-16-10-14(19)6-5-12(16)2/h4-6,8-10,21H,1,7,11H2,2-3H3
  • InChiKey: KCEDJYXLUYSYDD-UHFFFAOYSA-N  

Network

Hover on a compound node to display the structore

Synonyms

  • N-[(4-allyloxy-3-iodo-5-methoxy-phenyl)methyl]-5-chloro-2-methyl-aniline
  • N-[(4-allyloxy-3-iodo-5-methoxyphenyl)methyl]-5-chloro-2-methylaniline
  • (4-allyloxy-3-iodo-5-methoxy-benzyl)-(5-chloro-2-methyl-phenyl)amine
  • 5-chloro-N-[(3-iodo-5-methoxy-4-prop-2-enoxy-phenyl)methyl]-2-methyl-aniline
  • ZINC02838275

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
Loa Loa (eye worm) hypothetical protein 0.0066 0.0367 0.0367
Brugia malayi Low molecular weight phosphotyrosine protein phosphatase containing protein 0.0181 0.442 0.4208
Echinococcus multilocularis ectonucleotide pyrophosphatase:phosphodiesterase 0.0066 0.0367 0.0367
Trichomonas vaginalis low molecular weight protein-tyrosine-phosphatase, putative 0.0181 0.442 1
Mycobacterium ulcerans phosphotyrosine protein phosphatase PtpA 0.0181 0.442 0.5
Echinococcus multilocularis ectonucleotide pyrophosphatase:phosphodiesterase 0.0066 0.0367 0.0367
Loa Loa (eye worm) hypothetical protein 0.0066 0.0367 0.0367
Trichomonas vaginalis low molecular weight protein tyrosine phosphatase, putative 0.0181 0.442 1
Echinococcus granulosus ectonucleotide pyrophosphatase:phosphodiesterase 0.0066 0.0367 0.0367
Schistosoma mansoni hypothetical protein 0.0143 0.307 0.2806
Trypanosoma brucei low molecular weight protein tyrosine phosphatase, putative 0.0056 0.0003 0.5
Echinococcus granulosus ectonucleotide pyrophosphatase:phosphodiesterase 0.0066 0.0367 0.0367
Onchocerca volvulus 0.0181 0.442 1
Echinococcus multilocularis ectonucleotide pyrophosphatase:phosphodiesterase 0.0066 0.0367 0.0367
Loa Loa (eye worm) thrombospondin type 1 domain-containing protein 0.0143 0.307 0.307
Giardia lamblia Low molecular weight protein-tyrosine-phosphatase 0.0181 0.442 0.5
Echinococcus granulosus ectonucleotide pyrophosphatase:phosphodiesterase 0.0066 0.0367 0.0367
Trichomonas vaginalis low molecular weight protein tyrosine phosphatase, putative 0.0181 0.442 1
Echinococcus multilocularis ectonucleotide pyrophosphatase:phosphodiesterase 0.0066 0.0367 0.0367
Brugia malayi Thrombospondin type 1 domain containing protein 0.0143 0.307 0.2806
Leishmania major hypothetical protein, conserved 0.0056 0.0003 0.5
Loa Loa (eye worm) hypothetical protein 0.0066 0.0367 0.0367
Trypanosoma cruzi hypothetical protein, conserved 0.0056 0.0003 0.5
Schistosoma mansoni protein tyrosine phosphatase non-receptor type nt1 0.0339 1 1
Loa Loa (eye worm) protein-tyrosine phosphatase 0.0339 1 1
Trypanosoma cruzi hypothetical protein, conserved 0.0056 0.0003 0.5
Echinococcus granulosus ectonucleotide pyrophosphatase:phosphodiesterase 0.0066 0.0367 0.0367
Echinococcus multilocularis ectonucleotide pyrophosphatase:phosphodiesterase 0.0066 0.0367 0.0367
Echinococcus multilocularis ectonucleotide pyrophosphatase:phosphodiesterase 0.0066 0.0367 0.0367
Mycobacterium tuberculosis Phosphotyrosine protein phosphatase PtpA (protein-tyrosine-phosphatase) (PTPase) (LMW phosphatase) 0.0125 0.2452 0.5
Onchocerca volvulus 0.0143 0.307 0.6668
Trichomonas vaginalis low molecular weight protein-tyrosine-phosphatase, putative 0.0181 0.442 1
Echinococcus multilocularis tyrosine protein phosphatase non receptor type 0.0339 1 1
Trichomonas vaginalis low molecular weight protein tyrosine phosphatase, putative 0.0181 0.442 1
Echinococcus granulosus tyrosine protein phosphatase non receptor type 0.0339 1 1
Loa Loa (eye worm) phosphotyrosine protein phosphatase 0.0181 0.442 0.442
Entamoeba histolytica protein tyrosine phosphatase, putative 0.0181 0.442 0.5
Trichomonas vaginalis low molecular weight protein-tyrosine-phosphatase, putative 0.0181 0.442 1
Entamoeba histolytica protein tyrosine phosphatase, putative 0.0181 0.442 0.5
Echinococcus granulosus ectonucleotide pyrophosphatase:phosphodiesterase 0.0066 0.0367 0.0367

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.

If you have references for this compound, please enter them in a user comment (below) or Contact us.