Detailed information for compound 1474058

Basic information

Technical information
  • TDR Targets ID: 1474058
  • Name: [4-[(3,4-dimethoxyphenyl)-[1-(2-methylbutan-2 -yl)tetrazol-5-yl]methyl]piperazin-1-yl]-fura n-2-ylmethanone
  • MW: 468.549 | Formula: C24H32N6O4
  • H donors: 0 H acceptors: 4 LogP: 2.82 Rotable bonds: 9
    Rule of 5 violations (Lipinski): 1
  • SMILES: CCC(n1nnnc1C(c1ccc(c(c1)OC)OC)N1CCN(CC1)C(=O)c1ccco1)(C)C
  • InChi: 1S/C24H32N6O4/c1-6-24(2,3)30-22(25-26-27-30)21(17-9-10-18(32-4)20(16-17)33-5)28-11-13-29(14-12-28)23(31)19-8-7-15-34-19/h7-10,15-16,21H,6,11-14H2,1-5H3
  • InChiKey: IFWWXCUOEFMKHI-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

  • [4-[(3,4-dimethoxyphenyl)-[1-(1,1-dimethylpropyl)tetrazol-5-yl]methyl]piperazin-1-yl]-(2-furyl)methanone
  • [4-[(3,4-dimethoxyphenyl)-[1-(1,1-dimethylpropyl)-5-tetrazolyl]methyl]-1-piperazinyl]-(2-furyl)methanone
  • [4-[(1-tert-amyltetrazol-5-yl)-(3,4-dimethoxyphenyl)methyl]piperazin-1-yl]-(2-furyl)methanone
  • [4-[(3,4-dimethoxyphenyl)-[1-(2-methylbutan-2-yl)-1,2,3,4-tetrazol-5-yl]methyl]piperazin-1-yl]-furan-2-yl-methanone
  • Oprea1_785390
  • ASN 05553125

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
Leishmania major proteasome beta 5 subunit, putative 0.0406 1 1
Brugia malayi proteasome subunit beta type 1 0.0309 0.7149 0.7096
Trypanosoma brucei proteasome subunit beta type-5, putative 0.0406 1 1
Echinococcus granulosus proteasome prosome macropain subunit beta 0.0309 0.7149 0.7096
Trypanosoma brucei proteasome beta 6 subunit 0.0309 0.7149 0.7149
Brugia malayi prolyl oligopeptidase family protein 0.0145 0.2328 0.2185
Echinococcus multilocularis prolyl endopeptidase 0.0145 0.2328 0.2185
Trypanosoma brucei Dipeptidyl-peptidase 8-like, putative 0.0072 0.0183 0.0183
Schistosoma mansoni subfamily S9B unassigned peptidase (S09 family) 0.0187 0.3578 0.3458
Onchocerca volvulus Dipeptidyl peptidase family member 1 homolog 0.0187 0.3578 1
Echinococcus multilocularis proteasome (prosome, macropain) 0.0406 1 1
Leishmania major proteasome beta 6 subunit, putative,20S proteasome beta 6 subunit, putative 0.0309 0.7149 0.7149
Trypanosoma cruzi proteasome subunit beta type-5, putative 0.0406 1 1
Schistosoma mansoni proteasome catalytic subunit 3 (T01 family) 0.0406 1 1
Toxoplasma gondii prolyl endopeptidase 0.0145 0.2328 0.2185
Trypanosoma cruzi proteasome beta 6 subunit, putative 0.0309 0.7149 0.7149
Trypanosoma cruzi dipeptidyl-peptidase 8-like serine peptidase 0.0072 0.0183 0.0183
Entamoeba histolytica proteasome subunit beta type 5 precursor, putative 0.0406 1 1
Leishmania major prolyl oligopeptidase, putative,serine peptidase clan SC, family S9A, putative 0.0145 0.2328 0.2328
Trypanosoma brucei serine peptidase, Clan SC, Family S9B 0.0072 0.0183 0.0183
Echinococcus multilocularis proteasome (prosome, macropain) subunit, beta 0.0309 0.7149 0.7096
Trypanosoma cruzi proteasome beta 6 subunit, putative 0.0309 0.7149 0.7149
Leishmania major dipeptidyl-peptidase 8-like serine peptidase, putative,serine peptidase, Clan SC, Family S9B 0.0072 0.0183 0.0183
Echinococcus granulosus prolyl endopeptidase 0.0145 0.2328 0.2185
Toxoplasma gondii proteasome subunit beta type, putative 0.0406 1 1
Mycobacterium leprae proteasome (beta subunit) PrcB 0.0406 1 1
Loa Loa (eye worm) proteasome A-type and B-type family protein 0.0406 1 1
Trypanosoma cruzi serine peptidase, Clan SC, Family S9B 0.0072 0.0183 0.0183
Plasmodium falciparum proteasome subunit beta type-5 0.0406 1 1
Trypanosoma brucei prolyl endopeptidase 0.0145 0.2328 0.2328
Loa Loa (eye worm) proteasome subunit beta type 1 0.0309 0.7149 0.6284
Brugia malayi prolyl oligopeptidase family protein 0.0187 0.3578 0.3458
Plasmodium vivax proteasome subunit beta type-5, putative 0.0406 1 1
Echinococcus granulosus proteasome prosome macropain 0.0406 1 1
Schistosoma mansoni proteasome subunit beta 1 (T01 family) 0.0309 0.7149 0.7096
Trichomonas vaginalis Family T1, proteasome beta subunit, threonine peptidase 0.0406 1 1
Echinococcus granulosus dipeptidyl aminopeptidaseprotein 0.0187 0.3578 0.3458
Echinococcus multilocularis dipeptidyl aminopeptidaseprotein 0.0187 0.3578 0.3458
Trypanosoma cruzi proteasome subunit beta type-5, putative 0.0406 1 1
Loa Loa (eye worm) prolyl oligopeptidase 0.0187 0.3578 0.1629
Mycobacterium tuberculosis Probable protease II PtrBa [first part] (oligopeptidase B) 0.0118 0.1517 0.1517
Giardia lamblia Proteasome subunit beta type 5 precursor 0.0406 1 1
Toxoplasma gondii proteasome subunit beta type 1, putative 0.0309 0.7149 0.7096
Mycobacterium ulcerans proteasome PrcB 0.0406 1 1
Schistosoma mansoni prolyl oligopeptidase (S09 family) 0.0145 0.2328 0.2185
Mycobacterium tuberculosis Proteasome beta subunit PrcB; assembles with alpha subunit PrcA. 0.0406 1 1
Trypanosoma cruzi prolyl endopeptidase 0.0145 0.2328 0.2328
Schistosoma mansoni prolyl oligopeptidase (S09 family) 0.0145 0.2328 0.2185

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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