Detailed information for compound 1551104

Basic information

Technical information
  • TDR Targets ID: 1551104
  • Name: N-[3-[4-(2-fluorophenyl)piperazin-1-yl]propyl ]-2-propan-2-yl-1,3-benzoxazole-6-carboxamide
  • MW: 424.511 | Formula: C24H29FN4O2
  • H donors: 1 H acceptors: 2 LogP: 4.29 Rotable bonds: 8
    Rule of 5 violations (Lipinski): 1
  • SMILES: O=C(c1ccc2c(c1)oc(n2)C(C)C)NCCCN1CCN(CC1)c1ccccc1F
  • InChi: 1S/C24H29FN4O2/c1-17(2)24-27-20-9-8-18(16-22(20)31-24)23(30)26-10-5-11-28-12-14-29(15-13-28)21-7-4-3-6-19(21)25/h3-4,6-9,16-17H,5,10-15H2,1-2H3,(H,26,30)
  • InChiKey: XLZMTNVNRKHBEE-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

  • N-[3-[4-(2-fluorophenyl)piperazin-1-yl]propyl]-2-isopropyl-1,3-benzoxazole-6-carboxamide
  • N-[3-[4-(2-fluorophenyl)-1-piperazinyl]propyl]-2-isopropyl-1,3-benzoxazole-6-carboxamide
  • G706-1914
  • NCGC00133093-01

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Homo sapiens ubiquitin specific peptidase 1 Starlite/ChEMBL No references

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 Proteasome A-type and B-type family protein 0.0148 0.4092 1
Giardia lamblia Proteasome subunit beta type 5 precursor 0.0148 0.4092 1
Toxoplasma gondii proteasome subunit beta type, putative 0.0148 0.4092 1
Plasmodium vivax proteasome subunit beta type-5, putative 0.0148 0.4092 1
Echinococcus multilocularis proteasome (prosome, macropain) 0.0148 0.4092 1
Schistosoma mansoni 3-hydroxyacyl-CoA dehydrogenase 0.0045 0.0422 0.0273
Trichomonas vaginalis Family T1, proteasome beta subunit, threonine peptidase 0.0148 0.4092 1
Loa Loa (eye worm) proteasome subunit beta type 1 0.0065 0.1149 0.2808
Echinococcus granulosus proteasome prosome macropain 0.0148 0.4092 1
Echinococcus granulosus proteasome prosome macropain subunit beta 0.0065 0.1149 0.2529
Trypanosoma brucei proteasome subunit beta type-5, putative 0.0148 0.4092 1
Brugia malayi proteasome subunit beta type 1 0.0065 0.1149 0.2808
Echinococcus multilocularis 3 hydroxyacyl coenzyme A dehydrogenase type 2 0.0045 0.0422 0.0683
Entamoeba histolytica proteasome subunit beta type 5 precursor, putative 0.0148 0.4092 1
Loa Loa (eye worm) 3-hydroxyacyl-CoA dehydrogenase type II 0.0036 0.0112 0.0275
Mycobacterium leprae proteasome (beta subunit) PrcB 0.0148 0.4092 0.5
Mycobacterium ulcerans proteasome PrcB 0.0148 0.4092 1
Echinococcus multilocularis proteasome (prosome, macropain) subunit, beta 0.0065 0.1149 0.2529
Schistosoma mansoni proteasome catalytic subunit 3 (T01 family) 0.0148 0.4092 0.4
Leishmania major proteasome beta 6 subunit, putative,20S proteasome beta 6 subunit, putative 0.0065 0.1149 0.1981
Schistosoma mansoni proteasome subunit beta 1 (T01 family) 0.0065 0.1149 0.1012
Trypanosoma cruzi proteasome subunit beta type-5, putative 0.0148 0.4092 1
Plasmodium falciparum proteasome subunit beta type-5 0.0148 0.4092 1
Mycobacterium tuberculosis Proteasome beta subunit PrcB; assembles with alpha subunit PrcA. 0.0148 0.4092 1
Leishmania major proteasome beta 5 subunit, putative 0.0148 0.4092 1
Brugia malayi 3-hydroxyacyl-CoA dehydrogenase type II 0.0045 0.0422 0.1031
Trypanosoma cruzi proteasome subunit beta type-5, putative 0.0148 0.4092 1
Loa Loa (eye worm) proteasome A-type and B-type family protein 0.0148 0.4092 1
Echinococcus granulosus 3 hydroxyacyl coenzyme A dehydrogenase type 2 0.0045 0.0422 0.0683

Activities

Activity type Activity value Assay description Source Reference
Potency (functional) 6.3096 uM PubChem BioAssay. Inhibitors of USP1/UAF1: Primary Screen. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 17.7828 uM PUBCHEM_BIOASSAY: qHTS for Inhibitors of TGF-b: Cytotox Counterscreen. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID588855, AID588860] ChEMBL. No reference

Phenotypes

Whole-cell/tissue/organism interactions

Species name Source Reference Is orphan
Homo sapiens ChEMBL23

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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