Detailed information for compound 1579678

Basic information

Technical information
  • TDR Targets ID: 1579678
  • Name: 3-[(4-fluorophenyl)methylcarbamoylamino]-N-[( 4-propan-2-ylphenyl)methyl]-4-pyrrolidin-1-yl benzamide
  • MW: 488.596 | Formula: C29H33FN4O2
  • H donors: 3 H acceptors: 2 LogP: 5.03 Rotable bonds: 11
    Rule of 5 violations (Lipinski): 1
  • SMILES: O=C(Nc1cc(ccc1N1CCCC1)C(=O)NCc1ccc(cc1)C(C)C)NCc1ccc(cc1)F
  • InChi: 1S/C29H33FN4O2/c1-20(2)23-9-5-21(6-10-23)18-31-28(35)24-11-14-27(34-15-3-4-16-34)26(17-24)33-29(36)32-19-22-7-12-25(30)13-8-22/h5-14,17,20H,3-4,15-16,18-19H2,1-2H3,(H,31,35)(H2,32,33,36)
  • InChiKey: PWVHUOVPBHASNL-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

  • 3-[(4-fluorophenyl)methylcarbamoylamino]-N-[(4-isopropylphenyl)methyl]-4-pyrrolidin-1-yl-benzamide
  • 3-[[[(4-fluorophenyl)methylamino]-oxomethyl]amino]-N-[(4-isopropylphenyl)methyl]-4-1-pyrrolidinylbenzamide
  • 3-[(4-fluorobenzyl)carbamoylamino]-N-(4-isopropylbenzyl)-4-pyrrolidin-1-yl-benzamide
  • 3-[(4-fluorophenyl)methylcarbamoylamino]-N-[(4-propan-2-ylphenyl)methyl]-4-pyrrolidin-1-yl-benzamide
  • G545-0746
  • NCGC00131620-01

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Homo sapiens ataxin 2 Starlite/ChEMBL No references
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
Mycobacterium ulcerans proteasome PrcB 0.0147 1 0.5
Plasmodium falciparum proteasome subunit beta type-1, putative 0.0063 0.3389 0.2777
Trypanosoma cruzi proteasome beta 6 subunit, putative 0.0063 0.3389 0.2777
Loa Loa (eye worm) proteasome A-type and B-type family protein 0.0147 1 1
Echinococcus multilocularis proteasome (prosome, macropain) 0.0147 1 1
Schistosoma mansoni proteasome catalytic subunit 3 (T01 family) 0.0147 1 1
Loa Loa (eye worm) proteasome subunit beta type 1 0.0063 0.3389 0.2777
Mycobacterium tuberculosis Proteasome beta subunit PrcB; assembles with alpha subunit PrcA. 0.0147 1 0.5
Entamoeba histolytica proteasome subunit beta type 5 precursor, putative 0.0147 1 1
Trypanosoma cruzi proteasome subunit beta type-5, putative 0.0147 1 1
Trypanosoma brucei proteasome subunit beta type-5, putative 0.0147 1 1
Brugia malayi proteasome subunit beta type 1 0.0063 0.3389 0.3389
Toxoplasma gondii proteasome subunit beta type 1, putative 0.0063 0.3389 0.2777
Toxoplasma gondii proteasome subunit beta type, putative 0.0147 1 1
Trichomonas vaginalis Family T1, proteasome beta subunit, threonine peptidase 0.0147 1 1
Trypanosoma brucei proteasome beta 6 subunit 0.0063 0.3389 0.2777
Brugia malayi hypothetical protein 0.003 0.0847 0.0847
Trypanosoma cruzi proteasome beta 6 subunit, putative 0.0063 0.3389 0.2777
Plasmodium falciparum proteasome subunit beta type-5 0.0147 1 1
Plasmodium vivax proteasome subunit beta type-1, putative 0.0063 0.3389 0.2777
Leishmania major proteasome beta 5 subunit, putative 0.0147 1 1
Plasmodium vivax proteasome subunit beta type-5, putative 0.0147 1 1
Trypanosoma cruzi proteasome subunit beta type-5, putative 0.0147 1 1
Echinococcus granulosus proteasome prosome macropain 0.0147 1 1
Giardia lamblia Proteasome subunit beta type 5 precursor 0.0147 1 1
Leishmania major proteasome beta 6 subunit, putative,20S proteasome beta 6 subunit, putative 0.0063 0.3389 0.2777
Mycobacterium leprae proteasome (beta subunit) PrcB 0.0147 1 0.5

Activities

Activity type Activity value Assay description Source Reference
Potency (functional) 6.3096 uM PubChem BioAssay. qHTS for Inhibitors of ATXN expression. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 8.9125 uM PubChem BioAssay. Inhibitors of USP1/UAF1: Primary Screen. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 35.4813 uM PUBCHEM_BIOASSAY: qHTS for Inhibitors of binding or entry into cells for Lassa Virus. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID463114, AID540249] ChEMBL. No reference

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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