Detailed information for compound 560199

Basic information

Technical information
  • TDR Targets ID: 560199
  • Name: 2-[4-[bis(2-chloroethyl)amino]phenoxy]-2-meth yl-propanoic acid; N-cyclohexylcyclohexanamin e
  • MW: 501.529 | Formula: C26H42Cl2N2O3
  • H donors: 2 H acceptors: 2 LogP: 4.52 Rotable bonds: 10
    Rule of 5 violations (Lipinski): 2
  • SMILES: C1CCC(CC1)NC1CCCCC1.ClCCN(c1ccc(cc1)OC(C(=O)O)(C)C)CCCl
  • InChi: 1S/C14H19Cl2NO3.C12H23N/c1-14(2,13(18)19)20-12-5-3-11(4-6-12)17(9-7-15)10-8-16;1-3-7-11(8-4-1)13-12-9-5-2-6-10-12/h3-6H,7-10H2,1-2H3,(H,18,19);11-13H,1-10H2
  • InChiKey: SWGFIAPTKLELBN-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

  • 2-[4-[bis(2-chloroethyl)amino]phenoxy]-2-methylpropanoic acid; N-cyclohexylcyclohexanamine
  • 2-[4-[bis(2-chloroethyl)amino]phenoxy]-2-methyl-propionic acid; dicyclohexylamine
  • dicyclohexylammonium-2-(4-(N,N-bis(2-chloroethyl)amino) phenoxy)-2-methylpropionate
  • 34919-66-9
  • Propanoic acid, 2-(4-(bis(2-chloroethyl)amino)phenoxy)-2-methyl-, compd. with N-cyclohexylcyclohexanamine (1:1)
  • Propionic acid, 2-[p-[bis(2-chloroethyl)amino]phenoxy]-2-methyl-, compd. with dicyclohexylamine (1:1)
  • NSC135062
  • NSC 135062

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
Mycobacterium ulcerans exodeoxyribonuclease III protein XthA 0.004 0.1324 0.5
Echinococcus granulosus cytoplasmic intermediate filament protein 0.0041 0.1504 0.1504
Trypanosoma brucei apurinic/apyrimidinic endonuclease, putative 0.004 0.1324 0.5
Loa Loa (eye worm) hypothetical protein 0.0035 0.0629 0.0773
Schistosoma mansoni aminoadipate-semialdehyde dehydrogenase 0.0088 0.8139 1
Schistosoma mansoni tar DNA-binding protein 0.0067 0.5155 0.6333
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0049 0.262 0.3219
Loa Loa (eye worm) intermediate filament tail domain-containing protein 0.0086 0.7828 0.9618
Brugia malayi Calcitonin receptor-like protein seb-1 0.0052 0.2954 0.2954
Echinococcus multilocularis L aminoadipate semialdehyde 0.0088 0.8139 0.8139
Schistosoma mansoni tar DNA-binding protein 0.0067 0.5155 0.6333
Echinococcus granulosus lysine specific demethylase 5A 0.0037 0.0925 0.0925
Schistosoma mansoni ap endonuclease 0.004 0.1324 0.1627
Brugia malayi exodeoxyribonuclease III family protein 0.004 0.1324 0.1324
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.0052 0.2954 0.2954
Echinococcus multilocularis DNA (apurinic or apyrimidinic site) lyase 0.004 0.1324 0.1324
Wolbachia endosymbiont of Brugia malayi exonuclease III 0.004 0.1324 0.5
Echinococcus multilocularis lysine specific demethylase 5A 0.0037 0.0925 0.0925
Loa Loa (eye worm) hypothetical protein 0.0052 0.2954 0.363
Schistosoma mansoni tar DNA-binding protein 0.0067 0.5155 0.6333
Echinococcus granulosus DNA apurinic or apyrimidinic site lyase 0.004 0.1324 0.1324
Echinococcus multilocularis Transcription factor, JmjC domain containing protein 0.0101 1 1
Loa Loa (eye worm) jmjC domain-containing protein 0.0037 0.0925 0.1136
Echinococcus multilocularis musashi 0.0086 0.7828 0.7828
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0049 0.262 0.262
Brugia malayi RNA binding protein 0.0067 0.5155 0.5155
Echinococcus multilocularis jumonji domain containing protein 0.0043 0.1721 0.1721
Loa Loa (eye worm) GTP-binding regulatory protein Gs alpha-S chain 0.0049 0.262 0.3219
Loa Loa (eye worm) jmjC domain-containing protein 0.0064 0.468 0.575
Entamoeba histolytica exodeoxyribonuclease III, putative 0.004 0.1324 0.5
Loa Loa (eye worm) RNA binding protein 0.0067 0.5155 0.6333
Loa Loa (eye worm) hypothetical protein 0.004 0.128 0.1573
Schistosoma mansoni jumonji/arid domain-containing protein 0.0037 0.0925 0.1136
Loa Loa (eye worm) TAR-binding protein 0.0067 0.5155 0.6333
Brugia malayi RNA recognition motif domain containing protein 0.0067 0.5155 0.5155
Giardia lamblia Endonuclease/Exonuclease/phosphatase 0.004 0.1324 1
Echinococcus multilocularis lamin 0.0086 0.7828 0.7828
Onchocerca volvulus 0.0086 0.7828 0.9618
Brugia malayi latrophilin 2 splice variant baaae 0.0035 0.0629 0.0629
Plasmodium falciparum AP endonuclease (DNA-[apurinic or apyrimidinic site] lyase), putative 0.004 0.1324 1
Schistosoma mansoni tar DNA-binding protein 0.0067 0.5155 0.6333
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0049 0.262 0.3219
Trichomonas vaginalis ap endonuclease, putative 0.004 0.1324 0.5
Schistosoma mansoni hypothetical protein 0.0035 0.0629 0.0773
Schistosoma mansoni intermediate filament proteins 0.0086 0.7828 0.9618
Echinococcus granulosus lamin dm0 0.0086 0.7828 0.7828
Echinococcus granulosus jumonji domain containing protein 0.0043 0.1721 0.1721
Echinococcus granulosus Transcription factor JmjC domain containing protein 0.0101 1 1
Brugia malayi jmjC domain containing protein 0.0037 0.0925 0.0925
Mycobacterium tuberculosis Probable exodeoxyribonuclease III protein XthA (exonuclease III) (EXO III) (AP endonuclease VI) 0.004 0.1324 0.5
Brugia malayi GTP-binding regulatory protein Gs alpha-S chain, putative 0.0049 0.262 0.262
Loa Loa (eye worm) hypothetical protein 0.0088 0.8139 1
Schistosoma mansoni jumonji/arid domain-containing protein 0.0037 0.0925 0.1136
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0049 0.262 0.262
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0049 0.262 0.3219
Loa Loa (eye worm) hypothetical protein 0.0086 0.7828 0.9618
Loa Loa (eye worm) hypothetical protein 0.0084 0.7604 0.9343
Brugia malayi cytoplasmic intermediate filament protein 0.0046 0.2153 0.2153
Echinococcus multilocularis lamin dm0 0.0086 0.7828 0.7828
Echinococcus granulosus L aminoadipate semialdehyde 0.0088 0.8139 0.8139
Loa Loa (eye worm) exodeoxyribonuclease III family protein 0.004 0.1324 0.1627
Echinococcus granulosus tar DNA binding protein 0.0067 0.5155 0.5155
Echinococcus granulosus lamin 0.0086 0.7828 0.7828
Brugia malayi TAR-binding protein 0.0067 0.5155 0.5155
Echinococcus multilocularis cytoplasmic intermediate filament protein 0.0041 0.1504 0.1504
Leishmania major apurinic/apyrimidinic endonuclease-redox protein 0.004 0.1324 0.5
Loa Loa (eye worm) cytoplasmic intermediate filament protein 0.0046 0.2153 0.2645
Trypanosoma cruzi apurinic/apyrimidinic endonuclease 0.004 0.1324 0.5
Trypanosoma cruzi apurinic/apyrimidinic endonuclease, putative 0.004 0.1324 0.5
Plasmodium vivax AP endonuclease (DNA-[apurinic or apyrimidinic site] lyase), putative 0.004 0.1324 1
Onchocerca volvulus 0.0088 0.8139 1
Echinococcus granulosus intermediate filament protein 0.0086 0.7828 0.7828
Brugia malayi intermediate filament protein 0.0086 0.7828 0.7828
Toxoplasma gondii exonuclease III APE 0.004 0.1324 1
Loa Loa (eye worm) hypothetical protein 0.0053 0.314 0.3858
Schistosoma mansoni lamin 0.0086 0.7828 0.9618
Loa Loa (eye worm) intermediate filament protein 0.0086 0.7828 0.9618
Loa Loa (eye worm) hypothetical protein 0.0041 0.1504 0.1848
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0049 0.262 0.262
Schistosoma mansoni ap endonuclease 0.004 0.1324 0.1627
Trichomonas vaginalis ap endonuclease, putative 0.004 0.1324 0.5
Treponema pallidum exodeoxyribonuclease (exoA) 0.004 0.1324 0.5
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0049 0.262 0.262
Schistosoma mansoni tar DNA-binding protein 0.0067 0.5155 0.6333
Echinococcus multilocularis tar DNA binding protein 0.0067 0.5155 0.5155
Brugia malayi aminoadipate-semialdehyde dehydrogenase-phosphopantetheinyl transferase 0.0088 0.8139 0.8139
Onchocerca volvulus 0.0086 0.7828 0.9618
Loa Loa (eye worm) RNA recognition domain-containing protein domain-containing protein 0.0067 0.5155 0.6333
Brugia malayi Intermediate filament tail domain containing protein 0.0086 0.7828 0.7828
Loa Loa (eye worm) pigment dispersing factor receptor c 0.0052 0.2954 0.363
Schistosoma mansoni jumonji domain containing protein 0.008 0.7041 0.8651
Loa Loa (eye worm) hypothetical protein 0.004 0.128 0.1573
Schistosoma mansoni lamin 0.0086 0.7828 0.9618

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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