Detailed information for compound 607654

Basic information

Technical information
  • TDR Targets ID: 607654
  • Name: 3-naphthalen-1-yl-1-(phenylmethyl)pyrrolidin- 3-ol
  • MW: 303.398 | Formula: C21H21NO
  • H donors: 1 H acceptors: 1 LogP: 3.81 Rotable bonds: 3
    Rule of 5 violations (Lipinski): 1
  • SMILES: OC1(CCN(C1)Cc1ccccc1)c1cccc2c1cccc2
  • InChi: 1S/C21H21NO/c23-21(20-12-6-10-18-9-4-5-11-19(18)20)13-14-22(16-21)15-17-7-2-1-3-8-17/h1-12,23H,13-16H2
  • InChiKey: YYEKMBYFVPXXMN-UHFFFAOYSA-N  

Network

Hover on a compound node to display the structore

Synonyms

  • 3-(1-naphthyl)-1-(phenylmethyl)pyrrolidin-3-ol
  • 3-(1-naphthyl)-1-(phenylmethyl)-3-pyrrolidinol
  • 1-(benzyl)-3-(1-naphthyl)pyrrolidin-3-ol
  • 1-Benzyl-3-naphthalen-1-yl-pyrrolidin-3-ol
  • BAS 02975071
  • Oprea1_175226
  • STK080193
  • Oprea1_356970

Targets

Known targets for this compound

No curated genes were found associated with this compound

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
Toxoplasma gondii Sodium:neurotransmitter symporter family protein 0.00306158 0 0.5
Loa Loa (eye worm) Sodium:neurotransmitter symporter family protein 0.0156204 0.857535 0.857535
Echinococcus multilocularis acetylcholinesterase 0.0131884 0.691472 0.806348
Schistosoma mansoni sodium/chloride dependent transporter 0.0156204 0.857535 1
Schistosoma mansoni family S9 non-peptidase homologue (S09 family) 0.0131884 0.691472 0.806348
Chlamydia trachomatis Ssodium-dependent amino acid transporter 0.00306158 0 0.5
Echinococcus granulosus acetylcholinesterase 0.0131884 0.691472 0.806348
Toxoplasma gondii Sodium:neurotransmitter symporter family protein 0.00306158 0 0.5
Loa Loa (eye worm) hypothetical protein 0.0131884 0.691472 0.691472
Brugia malayi Carboxylesterase family protein 0.0131884 0.691472 0.691472
Echinococcus multilocularis carboxylesterase 5A 0.0131884 0.691472 0.806348
Toxoplasma gondii hypothetical protein 0.00306158 0 0.5
Loa Loa (eye worm) carboxylesterase 0.0131884 0.691472 0.691472
Loa Loa (eye worm) hypothetical protein 0.0156204 0.857535 0.857535
Onchocerca volvulus 0.00306158 0 0.5
Echinococcus granulosus sodium and chloride dependent glycine 0.0156204 0.857535 1
Plasmodium vivax amine transporter, putative 0.00306158 0 0.5
Treponema pallidum sodium- and chloride- dependent transporter 0.00306158 0 0.5
Trichomonas vaginalis conserved hypothetical protein 0.0172223 0.966913 0.5
Echinococcus granulosus carboxylesterase 5A 0.0131884 0.691472 0.806348
Plasmodium falciparum transporter, putative 0.00306158 0 0.5
Echinococcus granulosus acetylcholinesterase 0.0131884 0.691472 0.806348
Loa Loa (eye worm) hypothetical protein 0.0131884 0.691472 0.691472
Echinococcus multilocularis sodium and chloride dependent glycine 0.0156204 0.857535 1
Echinococcus multilocularis sodium and chloride dependent glycine 0.0156204 0.857535 1
Loa Loa (eye worm) hypothetical protein 0.0177069 1 1
Toxoplasma gondii hypothetical protein 0.00306158 0 0.5
Toxoplasma gondii Sodium:neurotransmitter symporter family protein 0.00306158 0 0.5
Schistosoma mansoni sodium/chloride dependent transporter 0.0156204 0.857535 1
Plasmodium falciparum amino acid transporter, putative 0.00306158 0 0.5
Onchocerca volvulus 0.00306158 0 0.5
Brugia malayi Sodium:neurotransmitter symporter family protein 0.0156204 0.857535 0.857535
Onchocerca volvulus 0.00306158 0 0.5
Loa Loa (eye worm) hypothetical protein 0.0156204 0.857535 0.857535
Echinococcus multilocularis acetylcholinesterase 0.0131884 0.691472 0.806348
Loa Loa (eye worm) acetylcholinesterase 1 0.0131884 0.691472 0.691472
Onchocerca volvulus 0.00306158 0 0.5
Plasmodium vivax hypothetical protein, conserved 0.00306158 0 0.5
Brugia malayi Carboxylesterase family protein 0.0131884 0.691472 0.691472
Brugia malayi Voltage-gated calcium channel, T-type, alpha subunit. C. elegans cca-1 ortholog 0.0177069 1 1
Echinococcus granulosus sodium and chloride dependent glycine 0.0156204 0.857535 1

Activities

Activity type Activity value Assay description Source Reference
Activity (functional) NOVARTIS: Antimalarial liver stage activity measured as a greater than 50% reduction in Plasmodium yoelii schizont area in HepG2-A16-CD81 cells at 10uM compound concentration, determined by immuno-fluorescence. ChEMBL. 22096101
CC50 (functional) = 23.13 uM Huh7 cytotoxicity for Pf inhibitors Novartis-GNF Malaria Box. No reference
CC50 = 23.13 uM NOVARTIS: Cytotoxicity against human hepatocellular carcinoma cell line (Huh7) ChEMBL. 18579783
EC50 (functional) = 0.1475 uM W2 Pf proliferation inhibition Novartis-GNF Malaria Box. No reference
EC50 (functional) = 0.1475 uM NOVARTIS: Inhibition of Plasmodium falciparum W2 (drug-resistant) proliferation in erythrocyte-based infection assay ChEMBL. 18579783
EC50 (functional) = 0.457 uM PF proliferation inhibition 3D7 Novartis-GNF Malaria Box. No reference
EC50 (functional) = 0.457 uM NOVARTIS: Inhibition of Plasmodium falciparum 3D7 (drug-susceptible) proliferation in erythrocyte-based infection assay ChEMBL. 18579783
IFI promiscuity index = 0.02174 IFI promiscuity index Novartis-GNF Malaria Box. No reference

Phenotypes

Whole-cell/tissue/organism interactions

Species name Source Reference Is orphan
Plasmodium falciparum ChEMBL23 18579783

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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