Detailed information for compound 886019

Basic information

Technical information
  • TDR Targets ID: 886019
  • Name: 1-[4-(2-ethylphenyl)piperazin-1-yl]-3-(phenyl methoxy)propan-2-ol
  • MW: 354.486 | Formula: C22H30N2O2
  • H donors: 1 H acceptors: 1 LogP: 3.38 Rotable bonds: 8
    Rule of 5 violations (Lipinski): 1
  • SMILES: CCc1ccccc1N1CCN(CC1)CC(COCc1ccccc1)O
  • InChi: 1S/C22H30N2O2/c1-2-20-10-6-7-11-22(20)24-14-12-23(13-15-24)16-21(25)18-26-17-19-8-4-3-5-9-19/h3-11,21,25H,2,12-18H2,1H3
  • InChiKey: SMAUXDASGLNCDB-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

  • 1-[4-(2-ethylphenyl)-1-piperazinyl]-3-(phenylmethoxy)propan-2-ol
  • 1-(benzyloxy)-3-[4-(2-ethylphenyl)piperazin-1-yl]propan-2-ol
  • Oprea1_583961

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
Brugia malayi Dihydrofolate reductase 0.0213 0.993 1
Onchocerca volvulus 0.005 0.0913 0.2273
Toxoplasma gondii bifunctional dihydrofolate reductase-thymidylate synthase 0.0215 1 1
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.005 0.0913 0.9693
Entamoeba histolytica cysteine proteinase, putative 0.005 0.0913 1
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.005 0.0913 0.9693
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.005 0.0913 0.9693
Onchocerca volvulus 0.005 0.0913 0.2273
Trypanosoma cruzi cruzipain precursor, putative 0.005 0.0913 0.0913
Onchocerca volvulus 0.005 0.0913 0.2273
Trichomonas vaginalis Clan CA, family C1, papain-like cysteine peptidase 0.005 0.0913 0.9693
Trypanosoma cruzi cysteine peptidase, putative 0.005 0.0913 0.0913
Brugia malayi Cathepsin L-like precursor 0.005 0.0913 0.092
Brugia malayi Cathepsin L-like precursor 0.005 0.0913 0.092
Trichomonas vaginalis Clan CA, family C1, cathepsin L or K-like cysteine peptidase 0.005 0.0913 0.9693
Schistosoma mansoni dihydrofolate reductase 0.0213 0.993 1
Trichomonas vaginalis Clan CA, family C1, papain-like cysteine peptidase 0.005 0.0913 0.9693
Loa Loa (eye worm) Papain cysteine protease/cathepsin propeptide inhibitor-containing protein 0.005 0.0913 0.092
Brugia malayi Cathepsin L-like precursor 0.005 0.0913 0.092
Trichomonas vaginalis Clan CA, family C1, papain-like cysteine peptidase 0.005 0.0913 0.9693
Onchocerca volvulus Cathepsin L homolog 0.005 0.0913 0.2273
Trichomonas vaginalis Clan CA, family C1, papain-like cysteine peptidase 0.005 0.0913 0.9693
Echinococcus granulosus thymidylate synthase 0.0106 0.4018 0.4047
Plasmodium falciparum bifunctional dihydrofolate reductase-thymidylate synthase 0.0215 1 1
Entamoeba histolytica cysteine protease, putative 0.005 0.0913 1
Mycobacterium tuberculosis Probable thymidylate synthase ThyA (ts) (TSASE) 0.0106 0.4018 0.3423
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.005 0.0913 0.9693
Schistosoma mansoni cathepsin F (C01 family) 0.005 0.0913 0.092
Loa Loa (eye worm) cysteine protease 0.005 0.0913 0.092
Onchocerca volvulus 0.005 0.0913 0.2273
Loa Loa (eye worm) fibroinase 0.005 0.0913 0.092
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.005 0.0913 0.9693
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.005 0.0913 0.9693
Chlamydia trachomatis dihydrofolate reductase 0.0213 0.993 0.5
Brugia malayi Cathepsin L-like precursor 0.005 0.0913 0.092
Trypanosoma brucei dihydrofolate reductase-thymidylate synthase 0.0215 1 1
Trichomonas vaginalis Clan CA, family C1, papain-like cysteine peptidase 0.005 0.0913 0.9693
Trypanosoma cruzi cysteine peptidase, putative 0.005 0.0913 0.0913
Mycobacterium leprae DIHYDROFOLATE REDUCTASE DFRA (DHFR) (TETRAHYDROFOLATE DEHYDROGENASE) 0.0213 0.993 1
Loa Loa (eye worm) hypothetical protein 0.005 0.0913 0.092
Onchocerca volvulus 0.005 0.0913 0.2273
Echinococcus granulosus cathepsin l cysteine peptidase 0.005 0.0913 0.092
Trichomonas vaginalis conserved hypothetical protein 0.0051 0.0942 1
Brugia malayi hypothetical protein 0.0051 0.0942 0.0949
Echinococcus granulosus cathepsin l1 0.005 0.0913 0.092
Brugia malayi thymidylate synthase 0.0106 0.4018 0.4047
Brugia malayi dihydrofolate reductase family protein 0.0213 0.993 1
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.005 0.0913 0.9693
Trichomonas vaginalis Clan CA, family C1, cathepsin L or K-like cysteine peptidase 0.005 0.0913 0.9693
Mycobacterium tuberculosis Dihydrofolate reductase DfrA (DHFR) (tetrahydrofolate dehydrogenase) 0.0213 0.993 1
Echinococcus multilocularis thymidylate synthase 0.0106 0.4018 0.3444
Trichomonas vaginalis Clan CA, family C1, papain-like cysteine peptidase 0.005 0.0913 0.9693
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.005 0.0913 0.9693
Loa Loa (eye worm) ctsf protein 0.005 0.0913 0.092
Trypanosoma cruzi cysteine peptidase, putative 0.005 0.0913 0.0913
Echinococcus granulosus dihydrofolate reductase 0.0213 0.993 1
Brugia malayi Papain family cysteine protease containing protein 0.005 0.0913 0.092
Trichomonas vaginalis Clan CA, family C1, papain-like cysteine peptidase 0.005 0.0913 0.9693
Brugia malayi Cathepsin L-like precursor 0.005 0.0913 0.092
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.005 0.0913 0.9693
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.005 0.0913 0.9693
Trichomonas vaginalis Clan CA, family C1, papain-like cysteine peptidase 0.005 0.0913 0.9693
Onchocerca volvulus Cathepsin F homolog 0.005 0.0913 0.2273
Loa Loa (eye worm) papain family cysteine protease containing protein 0.005 0.0913 0.092
Loa Loa (eye worm) thymidylate synthase 0.0106 0.4018 0.4047
Plasmodium vivax bifunctional dihydrofolate reductase-thymidylate synthase, putative 0.0215 1 1
Loa Loa (eye worm) dihydrofolate reductase 0.0213 0.993 1
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.005 0.0913 0.9693
Onchocerca volvulus 0.005 0.0913 0.2273
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.005 0.0913 0.9693
Trichomonas vaginalis Clan CA, family C1, papain-like cysteine peptidase 0.005 0.0913 0.9693
Trypanosoma cruzi dihydrofolate reductase-thymidylate synthase, putative 0.0051 0.0942 0.0942
Onchocerca volvulus 0.005 0.0913 0.2273
Brugia malayi Cathepsin L-like precursor 0.005 0.0913 0.092
Entamoeba histolytica cysteine proteinase, putative 0.005 0.0913 1
Schistosoma mansoni cathepsin F (C01 family) 0.005 0.0913 0.092
Trypanosoma cruzi cysteine peptidase, putative 0.005 0.0913 0.0913
Echinococcus granulosus cathepsin L cysteine proteinase 0.005 0.0913 0.092
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.005 0.0913 0.9693
Mycobacterium ulcerans dihydrofolate reductase DfrA 0.0213 0.993 1
Trypanosoma cruzi dihydrofolate reductase-thymidylate synthase 0.0215 1 1
Onchocerca volvulus 0.0106 0.4018 1
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.005 0.0913 0.9693
Onchocerca volvulus Cathepsin L homolog 0.005 0.0913 0.2273
Echinococcus multilocularis dihydrofolate reductase 0.0213 0.993 1
Schistosoma mansoni bifunctional dihydrofolate reductase-thymidylate synthase 0.0106 0.4018 0.4047

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.
 
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External resources for this compound

Bibliographic References

No literature references available for this target.

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