Detailed information for compound 1198258

Basic information

Technical information
  • TDR Targets ID: 1198258
  • Name: 3-[4-amino-2,6-di(propan-2-yl)phenyl]-1-[[4-[ 3-(3-hydroxypropoxy)phenyl]-1-(2-methoxypheny l)piperidin-4-yl]methyl]urea
  • MW: 588.78 | Formula: C35H48N4O4
  • H donors: 4 H acceptors: 2 LogP: 6.18 Rotable bonds: 14
    Rule of 5 violations (Lipinski): 2
  • SMILES: OCCCOc1cccc(c1)C1(CCN(CC1)c1ccccc1OC)CNC(=O)Nc1c(cc(cc1C(C)C)N)C(C)C
  • InChi: 1S/C35H48N4O4/c1-24(2)29-21-27(36)22-30(25(3)4)33(29)38-34(41)37-23-35(26-10-8-11-28(20-26)43-19-9-18-40)14-16-39(17-15-35)31-12-6-7-13-32(31)42-5/h6-8,10-13,20-22,24-25,40H,9,14-19,23,36H2,1-5H3,(H2,37,38,41)
  • InChiKey: MUOUWTRXWNPVRH-UHFFFAOYSA-N  


Substructure search Similarity search

Network

Hover on a compound node to display the structore

Synonyms

  • 3-(4-amino-2,6-diisopropyl-phenyl)-1-[[4-[3-(3-hydroxypropoxy)phenyl]-1-(2-methoxyphenyl)-4-piperidyl]methyl]urea
  • 3-(4-amino-2,6-diisopropylphenyl)-1-[[4-[3-(3-hydroxypropoxy)phenyl]-1-(2-methoxyphenyl)-4-piperidinyl]methyl]urea

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
Schistosoma mansoni hypothetical protein 0.0034 0.5538 0.8999
Loa Loa (eye worm) intermediate filament tail domain-containing protein 0.0027 0.3556 0.3556
Loa Loa (eye worm) latrophilin receptor protein 2 0.0016 0.036 0.036
Trypanosoma brucei apurinic/apyrimidinic endonuclease, putative 0.0018 0.11 1
Leishmania major apurinic/apyrimidinic endonuclease-redox protein 0.0018 0.11 1
Brugia malayi hypothetical protein 0.0036 0.6114 0.6114
Schistosoma mansoni lamin 0.0027 0.3556 0.5554
Wolbachia endosymbiont of Brugia malayi exonuclease III 0.0018 0.11 0.5
Loa Loa (eye worm) exodeoxyribonuclease III family protein 0.0018 0.11 0.11
Mycobacterium ulcerans exodeoxyribonuclease III protein XthA 0.0018 0.11 1
Brugia malayi Calcitonin receptor-like protein seb-1 0.0049 1 1
Loa Loa (eye worm) CYP4Cod1 0.0017 0.0724 0.0724
Schistosoma mansoni hypothetical protein 0.0036 0.6114 1
Giardia lamblia Endonuclease/Exonuclease/phosphatase 0.0018 0.11 0.5
Schistosoma mansoni intermediate filament proteins 0.0027 0.3556 0.5554
Brugia malayi Cytochrome P450 family protein 0.0017 0.0724 0.0724
Echinococcus multilocularis lamin dm0 0.0027 0.3556 0.5554
Plasmodium falciparum AP endonuclease (DNA-[apurinic or apyrimidinic site] lyase), putative 0.0018 0.11 0.5
Brugia malayi latrophilin 2 splice variant baaae 0.0034 0.5538 0.5538
Echinococcus multilocularis musashi 0.0027 0.3556 0.5554
Loa Loa (eye worm) cytochrome P450 family protein 0.0017 0.0724 0.0724
Loa Loa (eye worm) intermediate filament protein 0.0027 0.3556 0.3556
Loa Loa (eye worm) cytochrome P450 family protein 0.0017 0.0724 0.0724
Echinococcus granulosus Basic leucine zipper bZIP transcription 0.0036 0.6114 1
Brugia malayi Latrophilin receptor protein 2 0.0016 0.036 0.036
Brugia malayi exodeoxyribonuclease III family protein 0.0018 0.11 0.11
Brugia malayi intermediate filament protein 0.0027 0.3556 0.3556
Onchocerca volvulus 0.0027 0.3556 0.5
Echinococcus granulosus lamin 0.0027 0.3556 0.5554
Echinococcus multilocularis lamin 0.0027 0.3556 0.5554
Mycobacterium tuberculosis Probable exodeoxyribonuclease III protein XthA (exonuclease III) (EXO III) (AP endonuclease VI) 0.0018 0.11 0.5
Brugia malayi Cytochrome P450 family protein 0.0017 0.0724 0.0724
Trichomonas vaginalis ap endonuclease, putative 0.0018 0.11 0.5
Brugia malayi Intermediate filament tail domain containing protein 0.0027 0.3556 0.3556
Trypanosoma cruzi apurinic/apyrimidinic endonuclease 0.0018 0.11 1
Entamoeba histolytica hypothetical protein 0.0036 0.6114 1
Brugia malayi calcium-independent alpha-latrotoxin receptor 2, putative 0.0016 0.036 0.036
Loa Loa (eye worm) hypothetical protein 0.0034 0.5538 0.5538
Trichomonas vaginalis ap endonuclease, putative 0.0018 0.11 0.5
Entamoeba histolytica hypothetical protein 0.0036 0.6114 1
Loa Loa (eye worm) hypothetical protein 0.0027 0.3556 0.3556
Schistosoma mansoni lamin 0.0027 0.3556 0.5554
Loa Loa (eye worm) pigment dispersing factor receptor c 0.0049 1 1
Echinococcus granulosus lamin dm0 0.0027 0.3556 0.5554
Loa Loa (eye worm) hypothetical protein 0.0049 1 1
Entamoeba histolytica hypothetical protein 0.0036 0.6114 1
Echinococcus granulosus intermediate filament protein 0.0027 0.3556 0.5554
Entamoeba histolytica hypothetical protein 0.0036 0.6114 1
Loa Loa (eye worm) hypothetical protein 0.0016 0.036 0.036
Treponema pallidum exodeoxyribonuclease (exoA) 0.0018 0.11 0.5
Schistosoma mansoni transcription factor LCR-F1 0.0036 0.6114 1
Schistosoma mansoni ap endonuclease 0.0018 0.11 0.1287
Loa Loa (eye worm) hypothetical protein 0.0026 0.3415 0.3415
Onchocerca volvulus 0.0027 0.3556 0.5
Schistosoma mansoni ap endonuclease 0.0018 0.11 0.1287
Trypanosoma cruzi apurinic/apyrimidinic endonuclease, putative 0.0018 0.11 1
Echinococcus multilocularis Basic leucine zipper (bZIP) transcription 0.0036 0.6114 1
Echinococcus granulosus DNA apurinic or apyrimidinic site lyase 0.0018 0.11 0.1287
Toxoplasma gondii exonuclease III APE 0.0018 0.11 0.5
Echinococcus multilocularis DNA (apurinic or apyrimidinic site) lyase 0.0018 0.11 0.1287
Plasmodium vivax AP endonuclease (DNA-[apurinic or apyrimidinic site] lyase), putative 0.0018 0.11 0.5

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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