Detailed information for compound 1632779

Basic information

Technical information
  • TDR Targets ID: 1632779
  • Name: 4-[4-(1-cyclohexyltetrazol-5-yl)-4-(phenylami no)piperidin-1-yl]-1-(4-fluorophenyl)butan-1- one
  • MW: 490.616 | Formula: C28H35FN6O
  • H donors: 1 H acceptors: 4 LogP: 4.95 Rotable bonds: 9
    Rule of 5 violations (Lipinski): 1
  • SMILES: Fc1ccc(cc1)C(=O)CCCN1CCC(CC1)(Nc1ccccc1)c1nnnn1C1CCCCC1
  • InChi: 1S/C28H35FN6O/c29-23-15-13-22(14-16-23)26(36)12-7-19-34-20-17-28(18-21-34,30-24-8-3-1-4-9-24)27-31-32-33-35(27)25-10-5-2-6-11-25/h1,3-4,8-9,13-16,25,30H,2,5-7,10-12,17-21H2
  • InChiKey: UVWIYMDLXRGCDZ-UHFFFAOYSA-N  


Substructure search Similarity search

Network

Hover on a compound node to display the structore

Synonyms

  • 4-[4-(1-cyclohexyltetrazol-5-yl)-4-(phenylamino)-1-piperidyl]-1-(4-fluorophenyl)butan-1-one
  • 4-[4-(1-cyclohexyl-5-tetrazolyl)-4-(phenylamino)-1-piperidinyl]-1-(4-fluorophenyl)butan-1-one
  • 4-[4-(1-cyclohexyl-1,2,3,4-tetrazol-5-yl)-4-(phenylamino)piperidin-1-yl]-1-(4-fluorophenyl)butan-1-one
  • NCI60_022399
  • 4-(4-Anilino-4-(1-cyclohexyl-1H-tetraazol-5-yl)-1-piperidinyl)-1-(4-fluorophenyl)-1-butanone hydrochloride
  • AIDS-158232
  • Oprea1_448064
  • NSC664999 (HYDROCHLORIDE SALT)
  • AIDS158232

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 0.0194 0.1421 0.1169
Trichomonas vaginalis PIKK family atypical protein kinase 0.0952 1 1
Trypanosoma cruzi Phosphatidylinositol 3-kinase tor1 0.0952 1 1
Loa Loa (eye worm) phosphatidylinositol 3 0.0319 0.2839 0.2629
Trichomonas vaginalis conserved hypothetical protein 0.0139 0.0801 0.0462
Trichomonas vaginalis PIKK family atypical protein kinase 0.0813 0.8425 0.8367
Toxoplasma gondii FATC domain-containing protein 0.018 0.1264 0.1407
Trypanosoma brucei phosphatidylinositol 3-kinase tor, putative 0.045 0.4321 0.4112
Leishmania major target of rapamycin kinase (TOR) kinase 3 0.0758 0.7804 0.6934
Trichomonas vaginalis PIKK family atypical protein kinase 0.0952 1 1
Schistosoma mansoni ataxia telangiectasia mutated (atm)-related 0.0952 1 1
Echinococcus multilocularis serine protein kinase ATM 0.018 0.1264 0.1264
Trichomonas vaginalis PIKK family atypical protein kinase 0.0708 0.7239 0.7137
Entamoeba histolytica Phosphatidylinositol 3- and 4-kinase family 0.018 0.1264 0.1264
Trichomonas vaginalis PIKK family atypical protein kinase 0.0708 0.7239 0.7137
Entamoeba histolytica protein kinase, putative 0.01 0.0355 0.0355
Trichomonas vaginalis PIKK family atypical protein kinase 0.0514 0.5035 0.4852
Entamoeba histolytica FKBP-rapamycin associated protein (FRAP), putative 0.0952 1 1
Echinococcus multilocularis phosphatidylinositol 3 and 4 kinase 0.0319 0.2839 0.2839
Schistosoma mansoni hypothetical protein 0.0139 0.0801 0.0801
Trichomonas vaginalis PIKK family atypical protein kinase 0.0758 0.7796 0.7714
Entamoeba histolytica protein kinase rad3, putative 0.018 0.1264 0.1264
Trichomonas vaginalis PIKK family atypical protein kinase 0.0639 0.6453 0.6322
Trichomonas vaginalis PIKK family atypical protein kinase 0.0708 0.7239 0.7137
Trichomonas vaginalis PIKK family atypical protein kinase 0.0514 0.5044 0.4861
Trichomonas vaginalis PIKK family atypical protein kinase 0.0758 0.7796 0.7714
Brugia malayi FAT domain containing protein 0.0139 0.0801 0.0531
Echinococcus granulosus serine protein kinase ATM 0.018 0.1264 0.1264
Loa Loa (eye worm) hypothetical protein 0.0201 0.1496 0.1246
Trichomonas vaginalis PIKK family atypical protein kinase 0.0569 0.5664 0.5504
Toxoplasma gondii target of rapamycin (TOR), putative 0.0708 0.7239 1
Trichomonas vaginalis PIKK family atypical protein kinase 0.0563 0.56 0.5438
Trichomonas vaginalis PIKK family atypical protein kinase 0.0514 0.5035 0.4852
Trichomonas vaginalis PIKK family atypical protein kinase 0.0708 0.7239 0.7137
Trichomonas vaginalis PIKK family atypical protein kinase 0.0618 0.622 0.6081
Schistosoma mansoni ataxia telangiectasia mutated (atm) 0.018 0.1264 0.1264
Trichomonas vaginalis PIKK family atypical protein kinase 0.0119 0.0568 0.0221
Trypanosoma brucei Phosphatidylinositol 3-kinase tor1 0.0952 1 1
Trypanosoma cruzi phosphatidylinositol 3-related kinase, putative 0.0319 0.2839 0.2839
Echinococcus multilocularis PIK kinase, FAT and Armadillo domain containing protein 0.0139 0.0801 0.0801
Trichomonas vaginalis PIKK family atypical protein kinase 0.0708 0.7239 0.7137
Trichomonas vaginalis PIKK family atypical protein kinase 0.0319 0.2839 0.2575
Loa Loa (eye worm) AGC/AKT protein kinase 0.01 0.0355 0.0072
Brugia malayi Phosphatidylinositol 3- and 4-kinase family protein 0.018 0.1264 0.1007
Brugia malayi Phosphatidylinositol 3- and 4-kinase family protein 0.0319 0.2839 0.2629
Giardia lamblia GTOR 0.0952 1 0.5
Brugia malayi Phosphatidylinositol 3- and 4-kinase family protein 0.018 0.1264 0.1007
Echinococcus granulosus FKBP12 rapamycin complex associated protein 0.0952 1 1
Trypanosoma brucei phosphatidylinositol 4-kinase, putative 0.0952 1 1
Trichomonas vaginalis PIKK family atypical protein kinase 0.0758 0.7796 0.7714
Toxoplasma gondii non-specific serine/threonine protein kinase 0.0201 0.1496 0.1741
Trypanosoma brucei FAT domain/Rapamycin binding domain/Phosphatidylinositol 3- and 4-kinase, putative 0.0396 0.3701 0.3469
Trichomonas vaginalis PIKK family atypical protein kinase 0.0319 0.2839 0.2575
Schistosoma mansoni fkbp-rapamycin associated protein 0.018 0.1264 0.1264
Trypanosoma cruzi phosphatidylinositol kinase related protein, putative 0.0119 0.0568 0.0568
Echinococcus multilocularis serine:threonine protein kinase SMG1 0.018 0.1264 0.1264
Trypanosoma cruzi Phosphatidylinositol 3-kinase tor2 0.0952 1 1
Trichomonas vaginalis PIKK family atypical protein kinase 0.0319 0.2839 0.2575
Trypanosoma cruzi phosphatidylinositol 3-related kinase, putative 0.0319 0.2839 0.2839
Trichomonas vaginalis PIKK family atypical protein kinase 0.0569 0.5664 0.5504
Trichomonas vaginalis PIKK family atypical protein kinase 0.0319 0.2839 0.2575
Echinococcus granulosus serine:threonine protein kinase SMG1 0.018 0.1264 0.1264
Loa Loa (eye worm) phosphatidylinositol 3 0.0952 1 1
Leishmania major target of rapamycin (TOR) kinase 2, putative 0.0952 1 1
Entamoeba histolytica phosphatidylinositol3-kinaseTor2, putative 0.0952 1 1
Trichomonas vaginalis PIKK family atypical protein kinase 0.0256 0.2117 0.1826
Trypanosoma cruzi phosphatidylinositol kinase related protein, putative 0.018 0.1264 0.1264
Trypanosoma brucei target of rapamycin kinase 3, putative 0.0758 0.7804 0.7723
Brugia malayi Protein kinase domain containing protein 0.01 0.0355 0.0072
Echinococcus granulosus phosphatidylinositol 3 and 4 kinase 0.0319 0.2839 0.2839
Trichomonas vaginalis PIKK family atypical protein kinase 0.0952 1 1
Trypanosoma brucei phosphatidylinositol 3-kinase, putative 0.0319 0.2839 0.2575
Trichomonas vaginalis PIKK family atypical protein kinase 0.018 0.1264 0.0942
Trichomonas vaginalis PIKK family atypical protein kinase 0.0319 0.2839 0.2575
Loa Loa (eye worm) hypothetical protein 0.0119 0.0568 0.0291
Trypanosoma brucei phosphatidylinositol 3-related kinase, putative 0.0319 0.2839 0.2575
Entamoeba histolytica hypothetical protein 0.018 0.1264 0.1264
Loa Loa (eye worm) hypothetical protein 0.018 0.1264 0.1007
Trichomonas vaginalis PIKK family atypical protein kinase 0.018 0.1264 0.0942
Trichomonas vaginalis PIKK family atypical protein kinase 0.0758 0.7796 0.7714
Trichomonas vaginalis PIKK family atypical protein kinase 0.018 0.1264 0.0942
Trichomonas vaginalis PIKK family atypical protein kinase 0.0514 0.5035 0.4852
Trichomonas vaginalis PIKK family atypical protein kinase 0.0708 0.7239 0.7137
Loa Loa (eye worm) hypothetical protein 0.0139 0.0801 0.0531
Trichomonas vaginalis PIKK family atypical protein kinase 0.0708 0.7239 0.7137
Leishmania major target of rapamycin (TOR) kinase 1, putative 0.0952 1 1
Trichomonas vaginalis conserved hypothetical protein 0.0201 0.1496 0.1183
Trichomonas vaginalis PIKK family atypical protein kinase 0.0563 0.56 0.5438
Trichomonas vaginalis PIKK family atypical protein kinase 0.0514 0.5044 0.4861
Trypanosoma brucei phosphatidylinositol kinase related protein, putative 0.018 0.1264 0.0942
Entamoeba histolytica protein kinase, putative 0.0094 0.0286 0.0286
Trypanosoma cruzi phosphatidylinositol 3-kinase, putative 0.018 0.1264 0.1264
Schistosoma mansoni phosphatidylinositol 3-and 4-kinase 0.0319 0.2839 0.2839
Echinococcus multilocularis FKBP12 rapamycin complex associated protein 0.0952 1 1
Trichomonas vaginalis PIKK family atypical protein kinase 0.0514 0.5044 0.4861
Trichomonas vaginalis PIKK family atypical protein kinase 0.0569 0.5664 0.5504
Echinococcus granulosus PIK kinase FAT and Armadillo domain containing protein 0.0139 0.0801 0.0801
Trichomonas vaginalis conserved hypothetical protein 0.0119 0.0568 0.0221
Entamoeba histolytica protein kinase, putative 0.01 0.0355 0.0355
Trichomonas vaginalis PIKK family atypical protein kinase 0.0758 0.7796 0.7714
Trichomonas vaginalis PIKK family atypical protein kinase 0.0514 0.5044 0.4861
Trypanosoma cruzi target of rapamycin kinase 3 0.0758 0.7804 0.7804

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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