Detailed information for compound 1584672

Basic information

Technical information
  • TDR Targets ID: 1584672
  • Name: 1-(4-propan-2-yloxybenzoyl)pyrrolidine-2-carb oxylic acid
  • MW: 277.316 | Formula: C15H19NO4
  • H donors: 1 H acceptors: 3 LogP: 2.27 Rotable bonds: 5
    Rule of 5 violations (Lipinski): 1
  • SMILES: CC(Oc1ccc(cc1)C(=O)N1CCCC1C(=O)O)C
  • InChi: 1S/C15H19NO4/c1-10(2)20-12-7-5-11(6-8-12)14(17)16-9-3-4-13(16)15(18)19/h5-8,10,13H,3-4,9H2,1-2H3,(H,18,19)
  • InChiKey: SQPVACLHVRWFLM-UHFFFAOYSA-N  

Network

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Synonyms

  • 1-(4-isopropoxybenzoyl)pyrrolidine-2-carboxylic acid
  • 1-[(4-isopropoxyphenyl)-oxomethyl]-2-pyrrolidinecarboxylic acid
  • 1-(4-isopropoxybenzoyl)proline
  • 1-(4-propan-2-yloxyphenyl)carbonylpyrrolidine-2-carboxylic acid
  • 1-(4-Isopropoxy-benzoyl)-pyrrolidine-2-carboxylic acid
  • MLS000029380
  • SMR000011484
  • Oprea1_585032
  • Oprea1_485835
  • ST5014320
  • BAS 02787629

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Homo sapiens parathyroid hormone 1 receptor Starlite/ChEMBL No references

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Schistosoma japonicum ko:K04588 secretin receptor, putative Get druggable targets OG5_139196 All targets in OG5_139196

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
Loa Loa (eye worm) hypothetical protein 0.0501 0.4608 1
Brugia malayi EGF-like domain containing protein 0.0191 0.1116 0.2421
Loa Loa (eye worm) hypothetical protein 0.0191 0.1116 0.2421
Schistosoma mansoni hypothetical protein 0.0191 0.1116 0.2421
Echinococcus multilocularis neurogenic locus notch protein 4 0.0191 0.1116 0.1116
Echinococcus multilocularis fat cadherin tumor suppressor 0.0191 0.1116 0.1116
Echinococcus multilocularis neurogenic locus notch protein 0.0191 0.1116 0.1116
Loa Loa (eye worm) hypothetical protein 0.0501 0.4608 1
Schistosoma mansoni hypothetical protein 0.0191 0.1116 0.2421
Loa Loa (eye worm) hypothetical protein 0.0191 0.1116 0.2421
Brugia malayi Low-density lipoprotein receptor repeat class B containing protein 0.0501 0.4608 1
Echinococcus multilocularis protein jagged 1 0.0191 0.1116 0.1116
Echinococcus granulosus delta-like protein 1 0.0191 0.1116 0.2421
Loa Loa (eye worm) hypothetical protein 0.0191 0.1116 0.2421
Loa Loa (eye worm) hypothetical protein 0.0191 0.1116 0.2421
Onchocerca volvulus 0.0191 0.1116 0.2421
Loa Loa (eye worm) hypothetical protein 0.0191 0.1116 0.2421
Brugia malayi EGF-like domain containing protein 0.0191 0.1116 0.2421
Onchocerca volvulus Arrow homolog 0.0501 0.4608 1
Loa Loa (eye worm) hypothetical protein 0.0191 0.1116 0.2421
Brugia malayi Calcium binding EGF domain containing protein 0.0191 0.1116 0.2421
Schistosoma mansoni notch 0.0191 0.1116 0.2421
Schistosoma mansoni egf-like domain protein 0.0501 0.4608 1
Schistosoma mansoni notch 0.0191 0.1116 0.2421
Brugia malayi EGF-like domain containing protein 0.0191 0.1116 0.2421
Brugia malayi Cadherin domain containing protein 0.0191 0.1116 0.2421
Onchocerca volvulus Slit protein homolog 0.0191 0.1116 0.2421
Echinococcus multilocularis slit 2 protein 0.0191 0.1116 0.1116
Schistosoma mansoni hypothetical protein 0.0191 0.1116 0.2421
Echinococcus multilocularis neurogenic locus protein delta 0.0191 0.1116 0.1116
Echinococcus multilocularis neurogenic locus protein delta 0.0191 0.1116 0.1116
Echinococcus granulosus neurogenic locus protein delta 0.0191 0.1116 0.2421
Brugia malayi EGF-like domain containing protein 0.0191 0.1116 0.2421
Echinococcus granulosus notch 0.0191 0.1116 0.2421
Loa Loa (eye worm) hypothetical protein 0.0191 0.1116 0.2421
Onchocerca volvulus 0.0191 0.1116 0.2421
Brugia malayi Transmembrane cell adhesion receptor mua-3 precursor, putative 0.0191 0.1116 0.2421
Loa Loa (eye worm) hypothetical protein 0.0191 0.1116 0.2421
Loa Loa (eye worm) hypothetical protein 0.0191 0.1116 0.2421
Giardia lamblia High cysteine protein 0.0191 0.1116 0.5
Brugia malayi Cadherin domain containing protein 0.0191 0.1116 0.2421
Loa Loa (eye worm) hypothetical protein 0.0501 0.4608 1
Schistosoma mansoni septate junction protein 0.0191 0.1116 0.2421
Brugia malayi Delta serrate ligand family protein 0.0191 0.1116 0.2421
Loa Loa (eye worm) low-density lipoprotein receptor repeat class B containing protein 0.0501 0.4608 1
Onchocerca volvulus Putative cubilin 0.0191 0.1116 0.2421
Schistosoma mansoni hypothetical protein 0.0191 0.1116 0.2421
Schistosoma mansoni notch 0.0191 0.1116 0.2421
Loa Loa (eye worm) hypothetical protein 0.0191 0.1116 0.2421
Schistosoma mansoni hypothetical protein 0.0191 0.1116 0.2421
Schistosoma mansoni Pro-neuregulin-4 membrane-bound isoform (Pro-NRG4) [Contains: Neuregulin-4 (NRG-4)] 0.0191 0.1116 0.2421
Onchocerca volvulus Neurogenic locus notch protein homolog 0.0191 0.1116 0.2421
Echinococcus granulosus protein jagged 2 0.0191 0.1116 0.2421
Echinococcus granulosus fibropellin Ia 0.0191 0.1116 0.2421
Loa Loa (eye worm) hypothetical protein 0.0191 0.1116 0.2421
Schistosoma mansoni hypothetical protein 0.0191 0.1116 0.2421
Echinococcus multilocularis fibropellin Ia 0.0191 0.1116 0.1116
Loa Loa (eye worm) hypothetical protein 0.0191 0.1116 0.2421
Brugia malayi Fibulin-1 precursor 0.0501 0.4608 1
Echinococcus granulosus protein jagged 2 0.0191 0.1116 0.2421
Brugia malayi EGF-like domain containing protein 0.0191 0.1116 0.2421
Schistosoma mansoni laminin gamma-3 chain 0.0191 0.1116 0.2421
Schistosoma mansoni notch 0.0191 0.1116 0.2421
Echinococcus granulosus neurogenic locus notch protein 0.0191 0.1116 0.2421
Loa Loa (eye worm) hypothetical protein 0.0191 0.1116 0.2421
Schistosoma mansoni notch 0.0191 0.1116 0.2421
Schistosoma mansoni slit 0.0191 0.1116 0.2421
Onchocerca volvulus 0.0191 0.1116 0.2421
Brugia malayi Muscle positioning protein 4 0.0191 0.1116 0.2421
Echinococcus multilocularis notch 0.0191 0.1116 0.1116
Loa Loa (eye worm) multiple epidermal growth factor-like domains 6 0.0501 0.4608 1
Echinococcus multilocularis neurogenic locus notch protein 0.0191 0.1116 0.1116
Brugia malayi Calcium binding EGF domain containing protein 0.0191 0.1116 0.2421
Brugia malayi GCC2 and GCC3 family protein 0.0191 0.1116 0.2421
Schistosoma mansoni notch 0.0191 0.1116 0.2421
Onchocerca volvulus 0.0191 0.1116 0.2421
Loa Loa (eye worm) hypothetical protein 0.0501 0.4608 1
Onchocerca volvulus 0.0191 0.1116 0.2421
Loa Loa (eye worm) hypothetical protein 0.0191 0.1116 0.2421
Brugia malayi Calcium binding EGF domain containing protein 0.0191 0.1116 0.2421
Loa Loa (eye worm) hypothetical protein 0.0191 0.1116 0.2421
Schistosoma mansoni hypothetical protein 0.0191 0.1116 0.2421
Echinococcus granulosus neurogenic locus notch protein 4 0.0191 0.1116 0.2421
Brugia malayi EGF-like domain containing protein 0.0191 0.1116 0.2421
Loa Loa (eye worm) hypothetical protein 0.0191 0.1116 0.2421
Loa Loa (eye worm) notch protein 0.0191 0.1116 0.2421
Loa Loa (eye worm) Notch2 0.0191 0.1116 0.2421
Toxoplasma gondii calcium binding egf domain-containing protein 0.0501 0.4608 1
Brugia malayi EGF-like domain containing protein 0.0191 0.1116 0.2421
Echinococcus granulosus neurogenic locus notch protein 0.0191 0.1116 0.2421
Mycobacterium ulcerans hypothetical protein 0.0092 0 0.5
Brugia malayi Calcium binding EGF domain containing protein 0.0501 0.4608 1
Echinococcus multilocularis neural cadherin 0.0191 0.1116 0.1116
Loa Loa (eye worm) hypothetical protein 0.0191 0.1116 0.2421
Loa Loa (eye worm) hypothetical protein 0.0191 0.1116 0.2421
Echinococcus multilocularis protein jagged 2 0.0191 0.1116 0.1116
Schistosoma mansoni cell polarity protein 0.0191 0.1116 0.2421
Loa Loa (eye worm) bone morphogenetic protein 1b 0.0501 0.4608 1
Brugia malayi notch-like transmembrane receptor 0.0191 0.1116 0.2421
Loa Loa (eye worm) hypothetical protein 0.0191 0.1116 0.2421
Toxoplasma gondii calcium binding egf domain-containing protein 0.0501 0.4608 1
Echinococcus multilocularis laminin 0.0501 0.4608 0.4608
Echinococcus multilocularis Tolloid protein 1 0.0501 0.4608 0.4608
Echinococcus granulosus neural cadherin 0.0191 0.1116 0.2421
Echinococcus granulosus Tolloid protein 1 0.0501 0.4608 1
Echinococcus granulosus laminin 0.0501 0.4608 1
Schistosoma mansoni subfamily M12A unassigned peptidase (M12 family) 0.0501 0.4608 1
Onchocerca volvulus Neurogenic locus notch homolog 0.0191 0.1116 0.2421
Echinococcus granulosus protein jagged 1 0.0191 0.1116 0.2421
Loa Loa (eye worm) hypothetical protein 0.0191 0.1116 0.2421
Loa Loa (eye worm) hypothetical protein 0.0191 0.1116 0.2421
Echinococcus multilocularis protein jagged 1 0.0191 0.1116 0.1116
Echinococcus granulosus slit 2 protein 0.0191 0.1116 0.2421
Loa Loa (eye worm) hypothetical protein 0.0501 0.4608 1
Echinococcus granulosus protein jagged 1 0.0191 0.1116 0.2421
Echinococcus multilocularis fibrillin 1 0.0501 0.4608 0.4608
Loa Loa (eye worm) hypothetical protein 0.0191 0.1116 0.2421

Activities

Activity type Activity value Assay description Source Reference
Potency (functional) 0.0046 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
Potency (functional) 3.5481 uM PubChem BioAssay. qHTS of PTHR Inhibitors: Primary Screen. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 28.1838 uM PubChem BioAssay. qHTS for Agonist of gsp, the Etiologic Mutation Responsible for Fibrous Dysplasia/McCune-Albright Syndrome: qHTS. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 56.2341 uM PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of Rango (Ran-regulated importin-beta cargo) - Importin beta complex formation. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID540273] ChEMBL. No reference
Potency (functional) 95.2834 uM PubChem BioAssay. qHTS Assay to Find Inhibitors of Pin1. (Class of assay: confirmatory) 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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