Detailed information for compound 310249

Basic information

Technical information
  • TDR Targets ID: 310249
  • Name: 2-phenylpyrrolidine
  • MW: 147.217 | Formula: C10H13N
  • H donors: 1 H acceptors: 0 LogP: 1.81 Rotable bonds: 1
    Rule of 5 violations (Lipinski): 1
  • SMILES: C1CNC(C1)c1ccccc1
  • InChi: 1S/C10H13N/c1-2-5-9(6-3-1)10-7-4-8-11-10/h1-3,5-6,10-11H,4,7-8H2
  • InChiKey: JUTDHSGANMHVIC-UHFFFAOYSA-N  

Network

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Synonyms

  • 2AAX-0-0
  • GL-0079
  • NSC94961
  • Oprea1_853234

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Rattus norvegicus Neuronal acetylcholine 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
Brugia malayi nicotinic acetylcholine receptor beta-1 chain precursor Neuronal acetylcholine receptor   452 aa 471 aa 35.9 %
Echinococcus multilocularis glycine receptor subunit alpha 1 Neuronal acetylcholine receptor   452 aa 377 aa 22.5 %
Echinococcus multilocularis neuronal acetylcholine receptor subunit alpha 4 Neuronal acetylcholine receptor   452 aa 387 aa 31.8 %
Loa Loa (eye worm) nicotinic acetylcholine receptor non-alpha subunit Neuronal acetylcholine receptor   452 aa 473 aa 35.7 %
Onchocerca volvulus Acetylcholine receptor subunit alpha-type homolog Neuronal acetylcholine receptor   452 aa 458 aa 40.2 %
Echinococcus multilocularis nicotinic acetylcholine receptor alpha subunit Neuronal acetylcholine receptor   452 aa 487 aa 33.7 %
Brugia malayi acetylcholine receptor alpha subunit precursor, putative Neuronal acetylcholine receptor   452 aa 460 aa 38.9 %
Onchocerca volvulus Neuronal acetylcholine receptor   452 aa 463 aa 34.8 %
Loa Loa (eye worm) nicotinic acetylcholine receptor alpha subunit Neuronal acetylcholine receptor   452 aa 497 aa 37.4 %
Schistosoma mansoni nAChR subunit Neuronal acetylcholine receptor   452 aa 370 aa 34.3 %
Onchocerca volvulus Neuronal acetylcholine receptor   452 aa 478 aa 29.7 %
Echinococcus granulosus nicotinic acetylcholine receptor beta 1 subunit Neuronal acetylcholine receptor   452 aa 458 aa 33.0 %
Onchocerca volvulus Acetylcholine receptor subunit alpha-type homolog Neuronal acetylcholine receptor   452 aa 471 aa 40.1 %
Loa Loa (eye worm) hypothetical protein Neuronal acetylcholine receptor   452 aa 493 aa 39.8 %
Onchocerca volvulus Acetylcholine receptor subunit alpha-type homolog Neuronal acetylcholine receptor   452 aa 504 aa 40.7 %
Schistosoma mansoni nAChR subunit (ShAR1-beta2-like) Neuronal acetylcholine receptor   452 aa 373 aa 32.4 %
Echinococcus granulosus nicotinic acetylcholine receptor alpha subunit Neuronal acetylcholine receptor   452 aa 485 aa 34.8 %
Echinococcus multilocularis nAChR subunit Neuronal acetylcholine receptor   452 aa 467 aa 28.5 %
Brugia malayi nicotinic acetylcholine receptor alpha subunit, putative Neuronal acetylcholine receptor   452 aa 497 aa 37.2 %
Onchocerca volvulus Neuronal acetylcholine receptor   452 aa 434 aa 34.3 %
Brugia malayi Neurotransmitter-gated ion-channel ligand binding domain containing protein Neuronal acetylcholine receptor   452 aa 441 aa 34.9 %
Onchocerca volvulus Neuronal acetylcholine receptor   452 aa 372 aa 20.7 %
Onchocerca volvulus Neuronal acetylcholine receptor   452 aa 471 aa 35.0 %
Onchocerca volvulus Acetylcholine receptor subunit alpha-type homolog Neuronal acetylcholine receptor   452 aa 471 aa 40.1 %
Onchocerca volvulus Neuronal acetylcholine receptor   452 aa 462 aa 36.6 %
Onchocerca volvulus Neuronal acetylcholine receptor   452 aa 463 aa 34.8 %
Onchocerca volvulus Putative zinc finger protein Neuronal acetylcholine receptor   452 aa 506 aa 38.1 %
Onchocerca volvulus Neuronal acetylcholine receptor   452 aa 460 aa 38.7 %
Brugia malayi Neurotransmitter-gated ion-channel ligand binding domain containing protein Neuronal acetylcholine receptor   452 aa 483 aa 21.9 %
Loa Loa (eye worm) hypothetical protein Neuronal acetylcholine receptor   452 aa 458 aa 34.7 %
Loa Loa (eye worm) acetylcholine receptor alpha subunit Neuronal acetylcholine receptor   452 aa 495 aa 39.0 %
Schistosoma japonicum Neuronal acetylcholine receptor subunit alpha-3 precursor, putative Neuronal acetylcholine receptor   452 aa 364 aa 27.7 %
Echinococcus granulosus neuronal acetylcholine receptor subunit alpha 4 Neuronal acetylcholine receptor   452 aa 387 aa 31.5 %
Echinococcus granulosus nicotinic acetylcholine receptor a11 subunit Neuronal acetylcholine receptor   452 aa 444 aa 33.3 %
Echinococcus multilocularis nicotinic acetylcholine receptor a11 subunit Neuronal acetylcholine receptor   452 aa 476 aa 32.6 %
Onchocerca volvulus Neuronal acetylcholine receptor   452 aa 504 aa 36.7 %
Brugia malayi Cation transporter family protein Neuronal acetylcholine receptor   452 aa 472 aa 33.9 %
Brugia malayi acetylcholine receptor protein, alpha-like chain, putative Neuronal acetylcholine receptor   452 aa 384 aa 41.1 %
Onchocerca volvulus 39S ribosomal protein L13, mitochondrial homolog Neuronal acetylcholine receptor   452 aa 485 aa 34.2 %
Echinococcus multilocularis nicotinic acetylcholine receptor beta 1 subunit Neuronal acetylcholine receptor   452 aa 459 aa 32.2 %

Obtained from network model

Ranking Plot


Putative Targets List


Species Potential target Raw Global Species
Brugia malayi Matrixin family protein 0.0069 0.2034 0.3219
Schistosoma mansoni hypothetical protein 0.0098 0.3297 1
Mycobacterium ulcerans hydrolase 0.0084 0.2693 0.5
Onchocerca volvulus 0.0098 0.3297 0.577
Loa Loa (eye worm) matrix metalloproteinase 0.0069 0.2034 0.3219
Loa Loa (eye worm) hypothetical protein 0.0069 0.2034 0.3219
Mycobacterium leprae PROBABLE HYDROLASE 0.0084 0.2693 0.5
Loa Loa (eye worm) matrixin family protein 0.0167 0.6319 1
Brugia malayi Matrix metalloprotease, N-terminal domain containing protein 0.0084 0.2693 0.4262
Onchocerca volvulus Matrilysin homolog 0.0153 0.5715 1
Onchocerca volvulus 0.0069 0.2034 0.356
Mycobacterium tuberculosis Probable peptidoglycan hydrolase 0.0084 0.2693 0.5
Onchocerca volvulus Matrilysin homolog 0.0069 0.2034 0.356
Loa Loa (eye worm) hypothetical protein 0.0069 0.2034 0.3219
Brugia malayi Hemopexin family protein 0.0098 0.3297 0.5218
Brugia malayi Matrixin family protein 0.0069 0.2034 0.3219
Echinococcus multilocularis matrix metallopeptidase 7 (M10 family) 0.0251 1 1
Brugia malayi Matrixin family protein 0.0167 0.6319 1
Loa Loa (eye worm) hypothetical protein 0.0069 0.2034 0.3219
Brugia malayi Matrixin family protein 0.0069 0.2034 0.3219
Schistosoma mansoni matrix metallopeptidase-7 (M10 family) 0.0069 0.2034 0.617
Loa Loa (eye worm) matrixin family protein 0.0153 0.5715 0.9044
Onchocerca volvulus Matrix metalloproteinase homolog 0.0153 0.5715 1
Brugia malayi Matrixin family protein 0.0069 0.2034 0.3219
Loa Loa (eye worm) hypothetical protein 0.0084 0.2693 0.4262

Activities

Activity type Activity value Assay description Source Reference
Ki (binding) = 8696 nM Ability to displace [3H]-(-)-cytisine from nicotinic acetylcholine receptor (nAChR) in a whole rat brain preparation ChEMBL. No reference
Ki (binding) = 8696 nM Ability to displace [3H]-(-)-cytisine from nicotinic acetylcholine receptor (nAChR) in a whole rat brain preparation 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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