Detailed information for compound 1101463

Basic information

Technical information
  • TDR Targets ID: 1101463
  • Name: 2-[1-(aminomethyl)-3-phenylcyclopentyl]acetic acid
  • MW: 233.306 | Formula: C14H19NO2
  • H donors: 2 H acceptors: 2 LogP: -0.6 Rotable bonds: 4
    Rule of 5 violations (Lipinski): 1
  • SMILES: NCC1(CCC(C1)c1ccccc1)CC(=O)O
  • InChi: 1S/C14H19NO2/c15-10-14(9-13(16)17)7-6-12(8-14)11-4-2-1-3-5-11/h1-5,12H,6-10,15H2,(H,16,17)
  • InChiKey: RKZPSXQBIYRWAK-UHFFFAOYSA-N  

Network

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Synonyms

  • 2-[1-(aminomethyl)-3-phenyl-cyclopentyl]acetic acid
  • 2-[1-(aminomethyl)-3-phenyl-cyclopentyl]ethanoic acid

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Sus scrofa Voltage-dependent calcium channel alpha2delta subunit Starlite/ChEMBL References

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Echinococcus multilocularis voltage dependent calcium channel subunit Get druggable targets OG5_133164 All targets in OG5_133164
Echinococcus granulosus voltage dependent calcium channel subunit Get druggable targets OG5_133164 All targets in OG5_133164

By sequence similarity to non orthologous known druggable targets
Species Potential target Known druggable target Length Alignment span Identity
Brugia malayi Cache domain containing protein Voltage-dependent calcium channel alpha2delta subunit   1091 aa 1135 aa 23.6 %
Onchocerca volvulus Voltage-dependent calcium channel alpha2delta subunit   1091 aa 1175 aa 23.9 %
Echinococcus multilocularis voltage dependent calcium channel subunit Voltage-dependent calcium channel alpha2delta subunit   1091 aa 999 aa 24.6 %
Echinococcus granulosus voltage dependent calcium channel subunit Voltage-dependent calcium channel alpha2delta subunit   1091 aa 1023 aa 23.9 %

Obtained from network model

Ranking Plot


Putative Targets List


Species Potential target Raw Global Species
Echinococcus granulosus voltage dependent calcium channel subunit 0.0161 0.4145 0.4145
Echinococcus granulosus bromodomain adjacent to zinc finger domain 0.0065 0.1217 0.1217
Schistosoma mansoni dihydropyridine-sensitive l-type calcium channel 0.0155 0.3946 1
Loa Loa (eye worm) hypothetical protein 0.0046 0.0659 0.1322
Schistosoma mansoni hypothetical protein 0.0083 0.1784 0.4521
Treponema pallidum methyl-accepting chemotaxis protein (mcp2-1) 0.0329 0.9206 0.5
Brugia malayi Cache domain containing protein 0.0071 0.1423 0.8201
Loa Loa (eye worm) hypothetical protein 0.0071 0.1423 0.8537
Loa Loa (eye worm) hypothetical protein 0.0044 0.0596 0.0732
Schistosoma mansoni dihydropyridine-sensitive l-type calcium channel 0.0078 0.1623 0.4113
Loa Loa (eye worm) hypothetical protein 0.0077 0.1579 1
Brugia malayi Bromodomain containing protein 0.0041 0.0516 0.2673
Echinococcus multilocularis bromodomain adjacent to zinc finger domain 0.0039 0.0439 0.0439
Echinococcus multilocularis voltage dependent calcium channel subunit 0.0355 1 1
Echinococcus multilocularis voltage dependent calcium channel subunit 0.0161 0.4145 0.4145
Echinococcus multilocularis bromodomain adjacent to zinc finger domain 0.0065 0.1217 0.1217
Schistosoma mansoni bromodomain containing protein 0.0068 0.1335 0.3383
Echinococcus granulosus bromodomain adjacent to zinc finger domain 0.0039 0.0439 0.0439
Schistosoma mansoni serine-rich repeat protein 0.0083 0.1784 0.4521
Brugia malayi Bromodomain containing protein 0.0081 0.1719 1

Activities

Activity type Activity value Assay description Source Reference
IC50 (binding) = 5060 nM Displacement of [3H]gabapentin from calcium channel alpha2delta in pig cerebral cortex membrane after 30 mins ChEMBL. 19897364

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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