Detailed information for compound 32598

Basic information

Technical information
  • TDR Targets ID: 32598
  • Name: 2-[4-(2-methoxyphenyl)piperazin-1-yl]-1,3-ben zoxazole
  • MW: 309.362 | Formula: C18H19N3O2
  • H donors: 0 H acceptors: 1 LogP: 3.78 Rotable bonds: 3
    Rule of 5 violations (Lipinski): 1
  • SMILES: COc1ccccc1N1CCN(CC1)c1nc2c(o1)cccc2
  • InChi: 1S/C18H19N3O2/c1-22-17-9-5-3-7-15(17)20-10-12-21(13-11-20)18-19-14-6-2-4-8-16(14)23-18/h2-9H,10-13H2,1H3
  • InChiKey: SDQSWBVZTABORA-UHFFFAOYSA-N  

Network

Hover on a compound node to display the structore

Synonyms

  • 2-[4-(2-methoxyphenyl)-1-piperazinyl]-1,3-benzoxazole
  • 2-[4-(2-methoxyphenyl)piperazino]-1,3-benzoxazole

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 cathepsin L-like precursor 0.002 0.0227 0.0274
Brugia malayi latrophilin 2 splice variant baaae 0.007 0.3343 0.4032
Trichomonas vaginalis Clan CA, family C1, papain-like cysteine peptidase 0.0028 0.0713 0.2039
Plasmodium falciparum cysteine proteinase falcipain 2a 0.0028 0.0713 0.2039
Entamoeba histolytica cysteine proteinase, putative 0.0028 0.0713 0.2039
Trypanosoma cruzi transcription factor btf3, putative 0.0072 0.3499 0.422
Echinococcus multilocularis cysteine protease 0.0028 0.0713 0.0713
Trichomonas vaginalis Clan CA, family C1, papain-like cysteine peptidase 0.0028 0.0713 0.2039
Giardia lamblia Cathepsin B precursor 0.0052 0.2229 0.5
Echinococcus multilocularis geminin 0.0176 1 1
Loa Loa (eye worm) cysteine protease 0.0028 0.0713 0.0603
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0028 0.0713 0.2039
Onchocerca volvulus Cathepsin F homolog 0.0028 0.0713 1
Schistosoma mansoni cathepsin B-like peptidase (C01 family) 0.0149 0.8293 0.8293
Echinococcus multilocularis transcription factor btf3 0.0072 0.3499 0.3499
Echinococcus multilocularis cathepsin b 0.0149 0.8293 0.8293
Loa Loa (eye worm) hypothetical protein 0.0102 0.5367 0.6373
Schistosoma mansoni cathepsin B-like peptidase (C01 family) 0.0052 0.2229 0.2229
Plasmodium falciparum cysteine proteinase falcipain 3 0.0028 0.0713 0.2039
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0028 0.0713 0.2039
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0028 0.0713 0.2039
Brugia malayi Cathepsin L-like cysteine proteinase 0.002 0.0227 0.0274
Plasmodium vivax vivapain-2 0.0028 0.0713 0.2039
Trichomonas vaginalis conserved hypothetical protein 0.0072 0.3499 1
Echinococcus multilocularis cysteine protease 0.0028 0.0713 0.0713
Trichomonas vaginalis Clan CA, family C1, cathepsin L or K-like cysteine peptidase 0.0028 0.0713 0.2039
Onchocerca volvulus 0.0028 0.0713 1
Loa Loa (eye worm) latrophilin receptor protein 2 0.0032 0.0994 0.0952
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0028 0.0713 0.2039
Brugia malayi Calcitonin receptor-like protein seb-1 0.0102 0.5367 0.6472
Trypanosoma cruzi transcription factor btf3, putative 0.0072 0.3499 0.422
Trichomonas vaginalis Clan CA, family C1, papain-like cysteine peptidase 0.0028 0.0713 0.2039
Loa Loa (eye worm) ICD-1 protein 0.0072 0.3499 0.4057
Loa Loa (eye worm) Papain cysteine protease/cathepsin propeptide inhibitor-containing protein 0.0028 0.0713 0.0603
Schistosoma mansoni cathepsin F (C01 family) 0.0028 0.0713 0.0713
Echinococcus multilocularis cadherin EGF LAG seven pass G type receptor 0.0032 0.0994 0.0994
Loa Loa (eye worm) pigment dispersing factor receptor c 0.0102 0.5367 0.6373
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.0102 0.5367 0.6472
Echinococcus granulosus cathepsin l1 0.0028 0.0713 0.0713
Echinococcus granulosus transcription factor btf3 0.0072 0.3499 0.3499
Trichomonas vaginalis Clan CA, family C1, papain-like cysteine peptidase 0.0028 0.0713 0.2039
Trypanosoma cruzi cysteine peptidase, putative 0.0028 0.0713 0.086
Echinococcus multilocularis cathepsin b 0.0149 0.8293 0.8293
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0028 0.0713 0.2039
Trypanosoma cruzi cysteine peptidase C (CPC), putative 0.0052 0.2229 0.2688
Toxoplasma gondii cathepsin B 0.0052 0.2229 0.544
Echinococcus multilocularis GPCR, family 2 0.0032 0.0994 0.0994
Schistosoma mansoni cathepsin F (C01 family) 0.0028 0.0713 0.0713
Loa Loa (eye worm) cathepsin B 0.0052 0.2229 0.2482
Entamoeba histolytica hypothetical protein 0.0072 0.3499 1
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0028 0.0713 0.2039
Loa Loa (eye worm) hypothetical protein 0.007 0.3343 0.3864
Brugia malayi Latrophilin receptor protein 2 0.0032 0.0994 0.1199
Entamoeba histolytica cysteine protease, putative 0.0028 0.0713 0.2039
Trichomonas vaginalis Clan CA, family C1, papain-like cysteine peptidase 0.0028 0.0713 0.2039
Brugia malayi Cathepsin L-like precursor 0.002 0.0227 0.0274
Schistosoma mansoni hypothetical protein 0.0032 0.0994 0.0994
Echinococcus granulosus cadherin EGF LAG seven pass G type receptor 0.0032 0.0994 0.0994
Brugia malayi Cathepsin L-like precursor 0.0028 0.0713 0.086
Onchocerca volvulus 0.0028 0.0713 1
Schistosoma mansoni hypothetical protein 0.0032 0.0994 0.0994
Schistosoma mansoni cathepsin B-like peptidase (C01 family) 0.0149 0.8293 0.8293
Echinococcus granulosus diuretic hormone 44 receptor GPRdih2 0.0032 0.0994 0.0994
Schistosoma mansoni hypothetical protein 0.007 0.3343 0.3343
Loa Loa (eye worm) hypothetical protein 0.0149 0.8293 1
Echinococcus granulosus GPCR family 2 0.0032 0.0994 0.0994
Onchocerca volvulus 0.0028 0.0713 1
Brugia malayi cathepsin B-like cysteine proteinase 0.0149 0.8293 1
Echinococcus multilocularis cathepsin L cysteine protease 0.0028 0.0713 0.0713
Leishmania major basic transcription factor 3a, putative 0.0072 0.3499 1
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0028 0.0713 0.2039
Trypanosoma cruzi cysteine peptidase C (CPC), putative 0.0149 0.8293 1
Trypanosoma cruzi cruzipain precursor, putative 0.0028 0.0713 0.086
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.002 0.0227 0.0649
Entamoeba histolytica cysteine proteinase, putative 0.002 0.0227 0.0649
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0028 0.0713 0.2039
Brugia malayi Cathepsin L-like precursor 0.0028 0.0713 0.086
Schistosoma mansoni SmCB2 peptidase (C01 family) 0.0149 0.8293 0.8293
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0028 0.0713 0.2039
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0028 0.0713 0.2039
Onchocerca volvulus 0.0028 0.0713 1
Echinococcus granulosus cathepsin b 0.0149 0.8293 0.8293
Plasmodium falciparum basic transcription factor 3b, putative 0.0072 0.3499 1
Brugia malayi Cathepsin L-like precursor 0.0028 0.0713 0.086
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0028 0.0713 0.2039
Trichomonas vaginalis Clan CA, family C1, papain-like cysteine peptidase 0.0028 0.0713 0.2039
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0028 0.0713 0.2039
Loa Loa (eye worm) hypothetical protein 0.0028 0.0713 0.0603
Onchocerca volvulus 0.0028 0.0713 1
Schistosoma mansoni cathepsin F (C01 family) 0.002 0.0227 0.0227
Echinococcus multilocularis cathepsin l cysteine peptidase 0.0028 0.0713 0.0713
Brugia malayi beta-NAC-like protein 0.0072 0.3499 0.422
Onchocerca volvulus 0.0028 0.0713 1
Trichomonas vaginalis Clan CA, family C1, cathepsin B-like cysteine peptidase 0.0052 0.2229 0.6369
Trypanosoma brucei cysteine peptidase C (CPC) 0.0052 0.2229 0.6369
Loa Loa (eye worm) hypothetical protein 0.0032 0.0994 0.0952
Trypanosoma brucei transcription factor BTF3, putative 0.0072 0.3499 1
Plasmodium vivax basic transcription factor 3b, putative 0.0072 0.3499 1
Echinococcus granulosus cathepsin l cysteine peptidase 0.0028 0.0713 0.0713
Brugia malayi Cathepsin L-like precursor 0.0028 0.0713 0.086
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0028 0.0713 0.2039
Schistosoma mansoni transcription factor btf3 0.0072 0.3499 0.3499
Schistosoma mansoni hypothetical protein 0.0176 1 1
Schistosoma mansoni hypothetical protein 0.0176 1 1
Echinococcus multilocularis cathepsin l cysteine peptidase 0.0028 0.0713 0.0713
Trichomonas vaginalis Clan CA, family C1, papain-like cysteine peptidase 0.0028 0.0713 0.2039
Giardia lamblia Cathepsin B precursor 0.0052 0.2229 0.5
Brugia malayi Cathepsin L-like precursor 0.0028 0.0713 0.086
Leishmania major cysteine peptidase C (CPC),CPC cysteine peptidase, Clan CA, family C1, Cathepsin B-like 0.0052 0.2229 0.544
Echinococcus granulosus cathepsin b 0.0149 0.8293 0.8293
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0028 0.0713 0.2039
Loa Loa (eye worm) papain family cysteine protease containing protein 0.0028 0.0713 0.0603
Schistosoma mansoni hypothetical protein 0.0032 0.0994 0.0994
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0028 0.0713 0.2039
Brugia malayi Papain family cysteine protease containing protein 0.0028 0.0713 0.086
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0028 0.0713 0.2039
Echinococcus multilocularis cathepsin L cysteine protease 0.0028 0.0713 0.0713
Echinococcus multilocularis diuretic hormone 44 receptor GPRdih2 0.0032 0.0994 0.0994
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0028 0.0713 0.2039
Trypanosoma cruzi cysteine peptidase, putative 0.0028 0.0713 0.086
Trichomonas vaginalis Clan CA, family C1, papain-like cysteine peptidase 0.0028 0.0713 0.2039
Plasmodium falciparum cysteine proteinase falcipain 2b 0.0028 0.0713 0.2039
Trichomonas vaginalis Clan CA, family C1, papain-like cysteine peptidase 0.0028 0.0713 0.2039
Entamoeba histolytica cysteine proteinase, putative 0.0028 0.0713 0.2039
Plasmodium vivax vivapain-2 0.0028 0.0713 0.2039
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0028 0.0713 0.2039
Onchocerca volvulus 0.0028 0.0713 1
Trypanosoma cruzi cysteine peptidase, putative 0.0028 0.0713 0.086
Entamoeba histolytica transcription factor BTF3, putative 0.0072 0.3499 1
Echinococcus granulosus cathepsin L cysteine proteinase 0.0028 0.0713 0.0713
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0028 0.0713 0.2039
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0028 0.0713 0.2039
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0028 0.0713 0.2039
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.002 0.0227 0.0649
Giardia lamblia Cathepsin B precursor 0.0052 0.2229 0.5
Trypanosoma cruzi cysteine peptidase, clan CA, family C1, cathepsin L-like, putative 0.002 0.0227 0.0274
Trichomonas vaginalis conserved hypothetical protein 0.0072 0.3499 1
Loa Loa (eye worm) ctsf protein 0.0028 0.0713 0.0603
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0028 0.0713 0.2039
Trypanosoma cruzi cysteine peptidase, putative 0.0028 0.0713 0.086
Onchocerca volvulus Cathepsin L homolog 0.0028 0.0713 1
Onchocerca volvulus Cathepsin L homolog 0.0028 0.0713 1
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0028 0.0713 0.2039
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0028 0.0713 0.2039
Schistosoma mansoni hypothetical protein 0.0032 0.0994 0.0994
Echinococcus granulosus cathepsin l1 0.002 0.0227 0.0227
Brugia malayi calcium-independent alpha-latrotoxin receptor 2, putative 0.0032 0.0994 0.1199
Brugia malayi Cathepsin L-like precursor 0.0028 0.0713 0.086
Toxoplasma gondii NAC domain-containing protein 0.0072 0.3499 1
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0028 0.0713 0.2039
Trichomonas vaginalis Clan CA, family C1, cathepsin L or K-like cysteine peptidase 0.0028 0.0713 0.2039
Schistosoma mansoni cathepsin B-like peptidase (C01 family) 0.0149 0.8293 0.8293
Brugia malayi Cathepsin L-like precursor 0.002 0.0227 0.0274
Trichomonas vaginalis conserved hypothetical protein 0.0072 0.3499 1
Loa Loa (eye worm) fibroinase 0.0028 0.0713 0.0603

Activities

Activity type Activity value Assay description Source Reference
IC50 (binding) > 0.0001 M Inhibiton of [3H]-BRL-43694 binding to rat 5-hydroxytryptamine 3 receptor ChEMBL. 8176710
IC50 (binding) > 0.0001 M Binding affinity towards 5-hydroxytryptamine 1 receptor using [3H]-5-HT as radioligand ChEMBL. 8176710
IC50 (binding) > 0.0001 M Displacement of [3H]-spiroperidol from D2 dopamine receptor ChEMBL. 8176710
IC50 (binding) > 0.0001 M Inhibiton of [3H]-BRL-43694 binding to rat 5-hydroxytryptamine 3 receptor ChEMBL. 8176710
IC50 (binding) > 0.0001 M Binding affinity towards 5-hydroxytryptamine 1 receptor using [3H]-5-HT as radioligand ChEMBL. 8176710
IC50 (binding) > 0.0001 M Displacement of [3H]-spiroperidol from D2 dopamine receptor ChEMBL. 8176710
Inhibition (functional) = 14.7 % The compound was evaluated for the percentage inhibition in rat aorta stimulated with 30 microM 5-HT and tested at fixed concentration of 10 microM ChEMBL. 8176710
Inhibition (functional) = 25.6 % The compound was evaluated for the percentage inhibition in guinea pig ileum stimulated with 10 microM 5-HT and tested at fixed concentration of 10 microM ChEMBL. 8176710

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

1 literature reference was collected for this gene.

If you have references for this compound, please enter them in a user comment (below) or Contact us.