Detailed information for compound 1408755

Basic information

Technical information
  • TDR Targets ID: 1408755
  • Name: 2-cyclopentyl-3-oxo-1H-isoindole-4-carboxylic acid
  • MW: 245.274 | Formula: C14H15NO3
  • H donors: 1 H acceptors: 3 LogP: 1.75 Rotable bonds: 2
    Rule of 5 violations (Lipinski): 1
  • SMILES: O=C1N(Cc2c1c(ccc2)C(=O)O)C1CCCC1
  • InChi: 1S/C14H15NO3/c16-13-12-9(4-3-7-11(12)14(17)18)8-15(13)10-5-1-2-6-10/h3-4,7,10H,1-2,5-6,8H2,(H,17,18)
  • InChiKey: KLAMZNJTPDLNDX-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

  • 2-cyclopentyl-3-oxo-isoindoline-4-carboxylic acid
  • 2-cyclopentyl-3-oxo-4-isoindolinecarboxylic acid
  • 2-cyclopentyl-3-keto-isoindoline-4-carboxylic acid
  • SMR000524989
  • ST5294012
  • 2-Cyclopentyl-3-oxo-2,3-dihydro-1H-isoindole-4-carboxylic acid
  • BAS 12768824
  • MLS001209013

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Homo sapiens glucagon-like peptide 1 receptor 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
Species Potential target Known druggable target Length Alignment span Identity
Loa Loa (eye worm) pigment dispersing factor receptor c glucagon-like peptide 1 receptor 463 aa 388 aa 25.8 %
Obtained from network model

Ranking Plot

Putative Targets List

Species Potential target Raw Global Species
Schistosoma mansoni hypothetical protein 0.0041 0.0259 0.0259
Brugia malayi Protein kinase domain containing protein 0.0126 0.1047 0.242
Mycobacterium tuberculosis Probable zinc metalloprotease Zmp1 0.0051 0.0354 0.5
Loa Loa (eye worm) peptidase family M13 containing protein 0.0038 0.0229 0.0405
Loa Loa (eye worm) hypothetical protein 0.0038 0.0229 0.0405
Trypanosoma brucei fructose-1,6-bisphosphatase 0.0455 0.4123 1
Echinococcus multilocularis microtubule associated protein 2 0.0669 0.6119 1
Loa Loa (eye worm) hypothetical protein 0.0038 0.0229 0.0405
Schistosoma mansoni family M13 non-peptidase homologue (M13 family) 0.0026 0.0117 0.0117
Schistosoma mansoni hypothetical protein 0.002 0.0065 0.0065
Echinococcus multilocularis epidermal growth factor receptor 0.0267 0.2369 0.3807
Schistosoma mansoni tyrosine kinase 0.0126 0.1047 0.1047
Leishmania major 0.0455 0.4123 0.5
Echinococcus multilocularis epidermal growth factor receptor 0.0401 0.3618 0.5869
Echinococcus granulosus endothelin converting enzyme 1 0.0051 0.0354 0.0478
Brugia malayi latrophilin 2 splice variant baaae 0.0041 0.0259 0.0478
Schistosoma mansoni hypothetical protein 0.002 0.0065 0.0065
Loa Loa (eye worm) hypothetical protein 0.0039 0.0237 0.0425
Schistosoma mansoni hypothetical protein 0.002 0.0065 0.0065
Loa Loa (eye worm) pigment dispersing factor receptor c 0.0061 0.0448 0.0946
Toxoplasma gondii sedoheptulose-1,7-bisphosphatase 0.0169 0.1455 0.292
Echinococcus multilocularis G protein coupled receptor 139 0.0143 0.1208 0.1889
Echinococcus multilocularis insulin receptor 0.0126 0.1047 0.1623
Trypanosoma cruzi fructose-1,6-bisphosphatase, cytosolic, putative 0.0455 0.4123 1
Brugia malayi Furin-like cysteine rich region family protein 0.0401 0.3618 0.8755
Echinococcus multilocularis insulin growth factor 1 receptor beta 0.0126 0.1047 0.1623
Loa Loa (eye worm) fructose-1,6-bisphosphatase 0.0455 0.4123 1
Schistosoma mansoni hypothetical protein 0.002 0.0065 0.0065
Schistosoma mansoni tyrosine kinase 0.0266 0.2354 0.2354
Schistosoma mansoni tyrosine kinase 0.0266 0.2354 0.2354
Loa Loa (eye worm) TK/EGFR protein kinase 0.0401 0.3618 0.8755
Onchocerca volvulus 0.0025 0.0112 0.5
Echinococcus multilocularis neuropeptide receptor 0.0143 0.1208 0.1889
Loa Loa (eye worm) hypothetical protein 0.0039 0.0237 0.0425
Mycobacterium ulcerans zinc metalloprotease 0.0051 0.0354 0.5
Echinococcus granulosus epidermal growth factor receptor 0.0401 0.3618 0.5869
Echinococcus granulosus microtubule associated protein 2 0.0669 0.6119 1
Loa Loa (eye worm) hypothetical protein 0.0041 0.0259 0.0478
Schistosoma mansoni tyrosine kinase 0.0401 0.3618 0.3618
Mycobacterium leprae probable zinc metalloprotease 0.0051 0.0354 0.5
Schistosoma mansoni family M13 unassigned peptidase (M13 family) 0.0026 0.0117 0.0117
Toxoplasma gondii fructose-bisphospatase II 0.0455 0.4123 1
Brugia malayi Peptidase family M13 containing protein 0.0051 0.0354 0.0713
Loa Loa (eye worm) hypothetical protein 0.0051 0.0354 0.0713
Echinococcus granulosus epidermal growth factor receptor 0.0267 0.2369 0.3807
Echinococcus multilocularis endothelin converting enzyme 1 0.0051 0.0354 0.0478
Schistosoma mansoni tyrosine kinase 0.0266 0.2354 0.2354
Schistosoma mansoni family M13 unassigned peptidase (M13 family) 0.0026 0.0117 0.0117
Echinococcus multilocularis fructose 1,6 bisphosphatase 1 0.0455 0.4123 0.6704
Schistosoma mansoni tyrosine kinase 0.0267 0.2369 0.2369
Trypanosoma cruzi fructose-1,6-bisphosphatase, cytosolic, putative 0.0455 0.4123 1
Schistosoma mansoni family A2 unassigned peptidase (A02 family) 0.0197 0.1716 0.1716
Schistosoma mansoni microtubule-associated protein tau 0.0669 0.6119 0.6119
Echinococcus granulosus melanoma receptor tyrosine protein kinase 0.0267 0.2369 0.3807
Schistosoma mansoni family M13 unassigned peptidase (M13 family) 0.0051 0.0354 0.0354
Echinococcus granulosus insulin growth factor 1 receptor beta 0.0126 0.1047 0.1623
Loa Loa (eye worm) hypothetical protein 0.0051 0.0354 0.0713
Loa Loa (eye worm) TK/INSR protein kinase 0.0126 0.1047 0.242
Brugia malayi Hypothetical zinc metalloproteinase T16A9.4 0.0051 0.0354 0.0713
Loa Loa (eye worm) hypothetical protein 0.0025 0.0112 0.0117
Echinococcus granulosus insulin receptor 0.0126 0.1047 0.1623
Loa Loa (eye worm) hypothetical protein 0.0039 0.0237 0.0425
Schistosoma mansoni tyrosine kinase 0.0126 0.1047 0.1047
Echinococcus granulosus neuropeptide receptor 0.0143 0.1208 0.1889
Schistosoma mansoni tyrosine kinase 0.0267 0.2369 0.2369
Schistosoma mansoni Nep2 peptidase (M13 family) 0.0026 0.0117 0.0117
Loa Loa (eye worm) hypothetical protein 0.0039 0.0237 0.0425
Loa Loa (eye worm) hypothetical protein 0.0038 0.0229 0.0405
Loa Loa (eye worm) hypothetical protein 0.0039 0.0237 0.0425
Schistosoma mansoni fructose-16-bisphosphatase-related 0.0455 0.4123 0.4123
Toxoplasma gondii fructose-bisphospatase I 0.0169 0.1455 0.292
Loa Loa (eye worm) hypothetical protein 0.0051 0.0354 0.0713
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.0061 0.0448 0.0946
Echinococcus granulosus fructose 16 bisphosphatase 1 0.0455 0.4123 0.6704
Brugia malayi fructose-1,6-bisphosphatase 0.0455 0.4123 1
Schistosoma mansoni neuropeptide receptor 0.0143 0.1208 0.1208
Schistosoma mansoni neprilysin-2 (M13 family) 0.0026 0.0117 0.0117
Loa Loa (eye worm) peptidase family M13 containing protein 0.0038 0.0229 0.0405
Loa Loa (eye worm) hypothetical protein 0.0061 0.0448 0.0946
Loa Loa (eye worm) hypothetical protein 0.0038 0.0229 0.0405
Echinococcus multilocularis 0.0202 0.1754 0.2791
Loa Loa (eye worm) hypothetical protein 0.0039 0.0237 0.0425
Brugia malayi Calcitonin receptor-like protein seb-1 0.0061 0.0448 0.0946

Activities

Activity type Activity value Assay description Source Reference
Potency (functional) 7.9433 uM PubChem BioAssay. qHTS of GLP-1 Receptor Inverse Agonists (Inhibition Mode). (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 28.1838 uM PubChem BioAssay. qHTS for Activators of Integrin-Mediated Alleviation for Muscular Dystrophy. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 79.4328 uM PUBCHEM_BIOASSAY: HTS for Inhibitors of HP1-beta Chromodomain Interactions with Methylated Histone Tails. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID488962] 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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