Detailed information for compound 1490025

Basic information

Technical information
  • TDR Targets ID: 1490025
  • Name: 3-[4-(3-phenylpropoxy)phenyl]propanoic acid
  • MW: 284.35 | Formula: C18H20O3
  • H donors: 1 H acceptors: 2 LogP: 3.96 Rotable bonds: 8
    Rule of 5 violations (Lipinski): 1
  • SMILES: OC(=O)CCc1ccc(cc1)OCCCc1ccccc1
  • InChi: 1S/C18H20O3/c19-18(20)13-10-16-8-11-17(12-9-16)21-14-4-7-15-5-2-1-3-6-15/h1-3,5-6,8-9,11-12H,4,7,10,13-14H2,(H,19,20)
  • InChiKey: HCNDQTAYUXPCJE-UHFFFAOYSA-N  

Network

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Synonyms

  • 3-[4-(3-phenylpropoxy)phenyl]propionic acid

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Homo sapiens free fatty acid receptor 1 Starlite/ChEMBL 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 Sodium:neurotransmitter symporter family protein 0.0164 0.1349 0.1339
Brugia malayi Sodium:neurotransmitter symporter family protein 0.0164 0.1349 0.1339
Brugia malayi Myb-like DNA-binding domain containing protein 0.0493 0.491 0.4905
Loa Loa (eye worm) norepinephrine transporter 0.0965 1 1
Chlamydia trachomatis Ssodium-dependent amino acid transporter 0.0164 0.1349 0.5
Toxoplasma gondii hypothetical protein 0.0164 0.1349 0.5
Echinococcus multilocularis glutamate receptor, ionotrophic, AMPA 3 0.0044 0.0052 0.0052
Schistosoma mansoni sodium/chloride dependent transporter 0.0164 0.1349 0.1339
Loa Loa (eye worm) hypothetical protein 0.0164 0.1349 0.1339
Brugia malayi Sodium:neurotransmitter symporter family protein 0.0164 0.1349 0.1339
Echinococcus multilocularis glutamate receptor 2 0.004 0.0011 0.0011
Echinococcus granulosus uncharacterized sodium dependent transporter 0.0164 0.1349 0.1349
Echinococcus granulosus glutamate receptor ionotrophic AMPA 3 0.0044 0.0052 0.0052
Schistosoma mansoni sodium/chloride dependent neurotransmitter transporter 0.0164 0.1349 0.1339
Loa Loa (eye worm) hypothetical protein 0.0493 0.491 0.4905
Echinococcus multilocularis sodium and chloride dependent glycine 0.0164 0.1349 0.1349
Echinococcus multilocularis serotonin transporter 0.0965 1 1
Loa Loa (eye worm) Sodium:neurotransmitter symporter family protein 0.0164 0.1349 0.1339
Schistosoma mansoni sodium-dependent neurotransmitter transporter 0.0164 0.1349 0.1339
Loa Loa (eye worm) hypothetical protein 0.0164 0.1349 0.1339
Loa Loa (eye worm) hypothetical protein 0.0965 1 1
Toxoplasma gondii Sodium:neurotransmitter symporter family protein 0.0164 0.1349 0.5
Loa Loa (eye worm) hypothetical protein 0.0164 0.1349 0.1339
Loa Loa (eye worm) hypothetical protein 0.0164 0.1349 0.1339
Loa Loa (eye worm) solute carrier family 6 member 4 0.0965 1 1
Plasmodium vivax hypothetical protein, conserved 0.0164 0.1349 0.5
Echinococcus multilocularis glutamate receptor 2 0.0044 0.0052 0.0052
Brugia malayi hypothetical protein 0.0164 0.1349 0.1339
Echinococcus granulosus Glutamate receptor ionotropic kainate 2 0.0044 0.0052 0.0052
Echinococcus multilocularis uncharacterized sodium dependent transporter 0.0164 0.1349 0.1349
Echinococcus multilocularis Glutamate receptor, ionotropic kainate 2 0.0044 0.0052 0.0052
Loa Loa (eye worm) hypothetical protein 0.0965 1 1
Schistosoma mansoni norepinephrine/norepinephrine transporter 0.0965 1 1
Schistosoma mansoni sodium-dependent amino acid transporter 0.0164 0.1349 0.1339
Schistosoma mansoni sodium-dependent neurotransmitter transporter 0.0164 0.1349 0.1339
Loa Loa (eye worm) serotonin transporter b 0.0965 1 1
Loa Loa (eye worm) hypothetical protein 0.0508 0.5066 0.506
Echinococcus multilocularis sodium and chloride dependent glycine 0.0164 0.1349 0.1349
Loa Loa (eye worm) hypothetical protein 0.0965 1 1
Onchocerca volvulus CoRest homolog 0.0508 0.5066 0.4297
Plasmodium falciparum amino acid transporter, putative 0.0164 0.1349 0.5
Loa Loa (eye worm) hypothetical protein 0.0164 0.1349 0.1339
Echinococcus multilocularis conserved hypothetical protein 0.0694 0.7082 0.7082
Loa Loa (eye worm) hypothetical protein 0.0164 0.1349 0.1339
Echinococcus multilocularis glutamate (NMDA) receptor subunit 0.004 0.0011 0.0011
Echinococcus granulosus Glutamate receptor ionotropic kainate 2 0.0044 0.0052 0.0052
Loa Loa (eye worm) Sodium:neurotransmitter symporter family protein 0.0164 0.1349 0.1339
Echinococcus granulosus sodium and chloride dependent glycine 0.0164 0.1349 0.1349
Treponema pallidum sodium- and chloride- dependent transporter 0.0965 1 0.5
Toxoplasma gondii Sodium:neurotransmitter symporter family protein 0.0164 0.1349 0.5
Echinococcus multilocularis Glutamate receptor, ionotropic kainate 2 0.0044 0.0052 0.0052
Schistosoma mansoni norepinephrine/norepinephrine transporter 0.0164 0.1349 0.1339
Plasmodium vivax amine transporter, putative 0.0164 0.1349 0.5
Schistosoma mansoni glutamate receptor NMDA 0.0044 0.0052 0.0042
Echinococcus granulosus Glutamate receptor ionotropic kainate 2 0.0044 0.0052 0.0052
Echinococcus granulosus uncharacterized sodium dependent transporter 0.0164 0.1349 0.1349
Onchocerca volvulus 0.0965 1 1
Toxoplasma gondii hypothetical protein 0.0164 0.1349 0.5
Brugia malayi Serotonin receptor 0.0473 0.469 0.4684
Toxoplasma gondii Sodium:neurotransmitter symporter family protein 0.0164 0.1349 0.5
Schistosoma mansoni sodium-dependent neurotransmitter transporter 0.0164 0.1349 0.1339
Brugia malayi Sodium:neurotransmitter symporter family protein 1, putative 0.0164 0.1349 0.1339
Echinococcus multilocularis Glutamate receptor, ionotropic kainate 2 0.0044 0.0052 0.0052
Plasmodium falciparum transporter, putative 0.0164 0.1349 0.5
Echinococcus granulosus glutamate NMDA receptor subunit 0.004 0.0011 0.0011
Echinococcus granulosus sodium:chloride dependent neurotransmitter 0.0164 0.1349 0.1349
Loa Loa (eye worm) hypothetical protein 0.0164 0.1349 0.1339
Schistosoma mansoni sodium/chloride dependent neurotransmitter transporter 0.0164 0.1349 0.1339
Echinococcus multilocularis sodium:chloride dependent neurotransmitter 0.0164 0.1349 0.1349
Echinococcus granulosus sodium and chloride dependent glycine 0.0164 0.1349 0.1349
Echinococcus multilocularis sodium dependent neurotransmitter transporter 0.0164 0.1349 0.1349
Echinococcus granulosus serotonin transporter 0.0965 1 1
Schistosoma mansoni sodium/chloride dependent transporter 0.0965 1 1
Echinococcus granulosus sodium dependent neurotransmitter transporter 0.0164 0.1349 0.1349
Schistosoma mansoni sodium/chloride dependent neurotransmitter transporter 0.0164 0.1349 0.1339
Schistosoma mansoni norepinephrine/norepinephrine transporter 0.0164 0.1349 0.1339
Schistosoma mansoni sodium/chloride dependent transporter 0.0164 0.1349 0.1339
Echinococcus granulosus glutamate receptor 2 0.0044 0.0052 0.0052
Echinococcus granulosus hypothetical protein 0.0704 0.719 0.719

Activities

Activity type Activity value Assay description Source Reference
EC50 (functional) = 3500 nM Agonist activity against human GPR40 expressed in CHO cells assessed as increase in intracellular calcium level by FLIPR assay in presence of 0.1% BSA ChEMBL. 21319751

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

1 literature reference was collected for this gene.

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