Detailed information for compound 879844

Basic information

Technical information
  • TDR Targets ID: 879844
  • Name: 1-[4-[(2-chloro-6-fluorophenyl)methyl]piperaz in-1-yl]-3-(2-methylpropoxy)propan-2-ol
  • MW: 358.879 | Formula: C18H28ClFN2O2
  • H donors: 1 H acceptors: 1 LogP: 2.86 Rotable bonds: 8
    Rule of 5 violations (Lipinski): 1
  • SMILES: CC(COCC(CN1CCN(CC1)Cc1c(F)cccc1Cl)O)C
  • InChi: 1S/C18H28ClFN2O2/c1-14(2)12-24-13-15(23)10-21-6-8-22(9-7-21)11-16-17(19)4-3-5-18(16)20/h3-5,14-15,23H,6-13H2,1-2H3
  • InChiKey: CVHOAKNONBPCBL-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

  • 1-[4-[(2-chloro-6-fluoro-phenyl)methyl]piperazin-1-yl]-3-isobutoxy-propan-2-ol
  • 1-[4-[(2-chloro-6-fluorophenyl)methyl]-1-piperazinyl]-3-isobutoxypropan-2-ol
  • 1-[4-(2-chloro-6-fluoro-benzyl)piperazin-1-yl]-3-isobutoxy-propan-2-ol
  • 1-[4-[(2-chloro-6-fluoro-phenyl)methyl]piperazin-1-yl]-3-(2-methylpropoxy)propan-2-ol

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
Onchocerca volvulus 0.0249 0.3292 1
Brugia malayi Bromodomain containing protein 0.004 0.0318 0.0731
Toxoplasma gondii CMGC kinase, MAPK family (ERK) MAPK-1 0.0054 0.0508 0.0322
Echinococcus granulosus zinc finger protein 0.0021 0.0038 0.0592
Echinococcus multilocularis bromodomain adjacent to zinc finger domain 0.0063 0.0639 1
Echinococcus granulosus mitogen activated protein kinase 3 0.0054 0.0508 0.7949
Echinococcus multilocularis mitogen activated protein kinase 0.0054 0.0508 0.7949
Echinococcus multilocularis Basic leucine zipper (bZIP) transcription 0.0038 0.0283 0.4437
Entamoeba histolytica hypothetical protein 0.0038 0.0283 0.5
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0031 0.0192 0.2769
Schistosoma mansoni transcription factor LCR-F1 0.0038 0.0283 0.4094
Loa Loa (eye worm) pigment dispersing factor receptor c 0.0052 0.0491 0.169
Loa Loa (eye worm) pre-SET domain-containing protein family protein 0.0219 0.2861 1
Schistosoma mansoni hypothetical protein 0.0022 0.0054 0.0774
Echinococcus multilocularis zinc finger protein 0.0021 0.0038 0.0592
Plasmodium falciparum peptide deformylase 0.072 1 0.5
Entamoeba histolytica hypothetical protein 0.0038 0.0283 0.5
Brugia malayi Pre-SET motif family protein 0.0031 0.0192 0.027
Loa Loa (eye worm) hypothetical protein 0.0052 0.0491 0.169
Trichomonas vaginalis set domain proteins, putative 0.0249 0.3292 1
Loa Loa (eye worm) hypothetical protein 0.0049 0.0447 0.1535
Brugia malayi hypothetical protein 0.0038 0.0283 0.0604
Wolbachia endosymbiont of Brugia malayi peptide deformylase 0.072 1 0.5
Echinococcus multilocularis bromodomain adjacent to zinc finger domain 0.0038 0.0283 0.4427
Trypanosoma cruzi Peptide deformylase 2, putative 0.0275 0.3658 1
Loa Loa (eye worm) CMGC/MAPK/ERK1 protein kinase 0.0054 0.0508 0.1748
Brugia malayi latrophilin 2 splice variant baaae 0.0036 0.0255 0.05
Echinococcus granulosus mitogen activated protein kinase 0.0054 0.0508 0.7949
Brugia malayi Bromodomain containing protein 0.0079 0.0868 0.2734
Trypanosoma brucei Polypeptide deformylase 1 0.0275 0.3658 1
Entamoeba histolytica hypothetical protein 0.0038 0.0283 0.5
Leishmania major polypeptide deformylase-like protein, putative 0.0275 0.3658 1
Loa Loa (eye worm) hypothetical protein 0.0036 0.0255 0.0862
Echinococcus multilocularis mitogen activated protein kinase 3 0.0054 0.0508 0.7949
Schistosoma mansoni serine/threonine protein kinase 0.0054 0.0508 0.7334
Echinococcus granulosus Basic leucine zipper bZIP transcription 0.0038 0.0283 0.4437
Trypanosoma cruzi Peptide deformylase 2, putative 0.0275 0.3658 1
Plasmodium vivax peptide deformylase, putative 0.072 1 1
Treponema pallidum polypeptide deformylase (def) 0.072 1 0.5
Schistosoma mansoni bromodomain containing protein 0.0066 0.0692 1
Trypanosoma cruzi polypeptide deformylase-like protein, putative 0.0275 0.3658 1
Schistosoma mansoni hypothetical protein 0.0038 0.0283 0.4094
Brugia malayi MAP kinase sur-1 0.0054 0.0508 0.1422
Trypanosoma brucei Peptide deformylase 2 0.0275 0.3658 1
Echinococcus multilocularis fetal alzheimer antigen, falz 0.0024 0.0082 0.1287
Echinococcus multilocularis histone lysine methyltransferase setb histone lysine methyltransferase eggless 0.0049 0.0447 0.7
Loa Loa (eye worm) hypothetical protein 0.0074 0.0804 0.2786
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0049 0.0447 0.6458
Brugia malayi Calcitonin receptor-like protein seb-1 0.0052 0.0491 0.1361
Echinococcus granulosus histone lysine methyltransferase setb 0.0049 0.0447 0.7
Loa Loa (eye worm) hypothetical protein 0.0043 0.0355 0.1211
Trypanosoma cruzi polypeptide deformylase-like protein, putative 0.0275 0.3658 1
Loa Loa (eye worm) hypothetical protein 0.004 0.0319 0.1087
Schistosoma mansoni acetyl-CoA C-acetyltransferase 0.0024 0.0082 0.1188
Entamoeba histolytica hypothetical protein 0.0038 0.0283 0.5
Echinococcus granulosus bromodomain adjacent to zinc finger domain 0.0063 0.0639 1
Toxoplasma gondii hypothetical protein 0.072 1 1
Mycobacterium ulcerans peptide deformylase 0.072 1 0.5
Echinococcus granulosus 5'partial|histone lysine N methyltransferase SETDB2 0.003 0.0175 0.2743
Mycobacterium tuberculosis Probable polypeptide deformylase Def (PDF) (formylmethionine deformylase) 0.072 1 0.5
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0049 0.0447 0.6458
Loa Loa (eye worm) hypothetical protein 0.0045 0.0383 0.1312
Echinococcus multilocularis histone lysine N methyltransferase SETMAR 0.0031 0.0192 0.3001
Schistosoma mansoni zinc finger protein 0.0021 0.0038 0.0546
Echinococcus granulosus bromodomain adjacent to zinc finger domain 0.0038 0.0283 0.4427
Loa Loa (eye worm) PHD-finger family protein 0.0022 0.0054 0.0156
Mycobacterium leprae PROBABLE POLYPEPTIDE DEFORMYLASE DEF (PDF) (FORMYLMETHIONINE DEFORMYLASE) 0.072 1 0.5
Echinococcus granulosus fetal alzheimer antigen falz 0.0024 0.0082 0.1287
Schistosoma mansoni histone-lysine n-methyltransferase suv9 0.0031 0.0192 0.2769
Brugia malayi Pre-SET motif family protein 0.0219 0.2861 1
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.0052 0.0491 0.1361
Schistosoma mansoni hypothetical protein 0.0036 0.0255 0.3683
Giardia lamblia Kinase, CMGC MAPK 0.0054 0.0508 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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