Detailed information for compound 783958

Basic information

Technical information
  • TDR Targets ID: 783958
  • Name: 2-(4-nitrophenyl)-1,3-bis(phenylmethyl)imidaz olidine
  • MW: 373.448 | Formula: C23H23N3O2
  • H donors: 0 H acceptors: 2 LogP: 4.52 Rotable bonds: 6
    Rule of 5 violations (Lipinski): 1
  • SMILES: [O-][N+](=O)c1ccc(cc1)C1N(CCN1Cc1ccccc1)Cc1ccccc1
  • InChi: 1S/C23H23N3O2/c27-26(28)22-13-11-21(12-14-22)23-24(17-19-7-3-1-4-8-19)15-16-25(23)18-20-9-5-2-6-10-20/h1-14,23H,15-18H2
  • InChiKey: HGQZVRWIMOXMIN-UHFFFAOYSA-N  


Substructure search Similarity search

Network

Hover on a compound node to display the structore

Synonyms

  • 1,3-bis(benzyl)-2-(4-nitrophenyl)imidazolidine
  • Oprea1_073392
  • Oprea1_505095
  • AG-205/32540027
  • A0611/0028298
  • ARONIS018609
  • CBDivE_004056
  • 1,3-Dibenzyl-2-(4-nitro-phenyl)-imidazolidine
  • BAS 00931588

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
Loa Loa (eye worm) hypothetical protein 0.0347407 0.238603 0.238603
Plasmodium falciparum 3',5'-cyclic nucleotide phosphodiesterase, putative 0.0165006 0.0930426 1
Trichomonas vaginalis cAMP-specific phosphodiesterase, putative 0.0215186 0.133088 1
Brugia malayi Probable 3',5'-cyclic phosphodiesterase R153.1, putative 0.0165006 0.0930426 0.107152
Brugia malayi 3'5'-cyclic nucleotide phosphodiesterase family protein 0.0165006 0.0930426 0.107152
Echinococcus granulosus roundabout 2 0.0347407 0.238603 0.160493
Trichomonas vaginalis cAMP and cAMP-inhibited cGMP 3,5-cyclic phosphodiesterase, putative 0.0195746 0.117574 0.882189
Toxoplasma gondii 3'5'-cyclic nucleotide phosphodiesterase domain-containing protein 0.0165006 0.0930426 0.0917628
Toxoplasma gondii 3'5'-cyclic nucleotide phosphodiesterase domain-containing protein 0.0165006 0.0930426 0.0917628
Echinococcus multilocularis Immunoglobulin 0.0347407 0.238603 0.160493
Trichomonas vaginalis cGMP-specific 3,5-cyclic phosphodiesterase, putative 0.0215186 0.133088 1
Trypanosoma cruzi cAMP specific phosphodiesterase, putative 0.0215186 0.133088 1
Toxoplasma gondii 3'5'-cyclic nucleotide phosphodiesterase domain-containing protein 0.0165006 0.0930426 0.0917628
Schistosoma mansoni camp-specific cyclic nucleotide phosphodiesterase 0.0165006 0.0930426 0.0179871
Toxoplasma gondii 3'5'-cyclic nucleotide phosphodiesterase domain-containing protein 0.0165006 0.0930426 0.0917628
Echinococcus multilocularis dual 3',5' cyclic AMP and GMP phosphodiesterase 0.0215186 0.133088 0.0441532
Echinococcus granulosus dual 3'5' cyclic AMP and GMP phosphodiesterase 0.0215186 0.133088 0.0441532
Trichomonas vaginalis cGMP-dependent 3,5-cyclic phosphodiesterase, putative 0.0215186 0.133088 1
Trichomonas vaginalis high-affinity cGMP-specific 3,5-cyclic phosphodiesterase, putative 0.0215186 0.133088 1
Plasmodium falciparum 3',5'-cyclic nucleotide phosphodiesterase, putative 0.0165006 0.0930426 1
Trichomonas vaginalis cyclic nucleotide phosphodiesterase, putative 0.0165006 0.0930426 0.695888
Echinococcus multilocularis cAMP specific 3',5' cyclic phosphodiesterase 0.130151 1 1
Brugia malayi Kinesin motor domain containing protein 0.0144189 0.0764302 0.0880206
Schistosoma mansoni camp-specific 35-cyclic phosphodiesterase 0.0165006 0.0930426 0.0179871
Trichomonas vaginalis rod cGMP-specific 3,5-cyclic phosphodiesterase, putative 0.0215186 0.133088 1
Schistosoma mansoni camp-specific 35-cyclic phosphodiesterase 0.130151 1 1
Brugia malayi Immunoglobulin I-set domain containing protein 0.0347407 0.238603 0.274786
Trichomonas vaginalis cGMP-specific 3,5-cyclic phosphodiesterase, putative 0.0215186 0.133088 1
Echinococcus granulosus twitchin 0.0347407 0.238603 0.160493
Plasmodium vivax phosphodiesterase gamma, putative 0.0165006 0.0930426 1
Schistosoma mansoni cell adhesion molecule 0.0347407 0.238603 0.175593
Loa Loa (eye worm) hypothetical protein 0.0347407 0.238603 0.238603
Trichomonas vaginalis cAMP/cGMP cyclic nucleotide phosphodiesterase, putative 0.0215186 0.133088 1
Trypanosoma cruzi cAMP specific phosphodiesterase, putative 0.0215186 0.133088 1
Trichomonas vaginalis cGMP-specific 3,5-cyclic phosphodiesterase, putative 0.0215186 0.133088 1
Schistosoma mansoni vesicular amine transporter 0.0347407 0.238603 0.175593
Trichomonas vaginalis cyclic nucleotide phosphodiesterase, putative 0.0215186 0.133088 1
Toxoplasma gondii kinesin motor domain-containing protein 0.0144189 0.0764302 0.075127
Loa Loa (eye worm) hypothetical protein 0.0347407 0.238603 0.238603
Trichomonas vaginalis cGMP-dependent 3,5-cyclic phosphodiesterase, putative 0.0165006 0.0930426 0.695888
Brugia malayi Probable 3',5'-cyclic phosphodiesterase R153.1, putative 0.11365 0.868321 1
Schistosoma mansoni Neurotrimin precursor (hNT) 0.0347407 0.238603 0.175593
Loa Loa (eye worm) hypothetical protein 0.0347407 0.238603 0.238603
Brugia malayi Probable 3',5'-cyclic phosphodiesterase C32E12.2, putative 0.0184445 0.108556 0.125018
Echinococcus granulosus Immunoglobulin 0.0347407 0.238603 0.160493
Trichomonas vaginalis high-affinity cGMP-specific 3,5-cyclic phosphodiesterase, putative 0.0215186 0.133088 1
Trypanosoma brucei cAMP-specific phosphodiesterase 0.0215186 0.133088 1
Trichomonas vaginalis calcium/calmodulin-dependent 3,5-cyclic nucleotide phosphodiesterase, putative 0.0165006 0.0930426 0.695888
Loa Loa (eye worm) PDE1B protein 0.0165006 0.0930426 0.0930426
Schistosoma mansoni high-affinity cgmp-specific 35-cyclic phosphodiesterase 0.0165006 0.0930426 0.0179871
Trichomonas vaginalis cyclic nucleotide phosphodiesterase, putative 0.0215186 0.133088 1
Schistosoma mansoni defective proboscis extension response (dpr)-related 0.0347407 0.238603 0.175593
Brugia malayi 3'5'-cyclic nucleotide phosphodiesterase family protein 0.0184445 0.108556 0.125018
Toxoplasma gondii 3'5'-cyclic nucleotide phosphodiesterase domain-containing protein 0.0165006 0.0930426 0.0917628
Plasmodium falciparum cGMP-specific phosphodiesterase 0.0165006 0.0930426 1
Echinococcus granulosus cAMP specific 3'5' cyclic phosphodiesterase 0.11365 0.868321 0.854813
Toxoplasma gondii 3'5'-cyclic nucleotide phosphodiesterase domain-containing protein 0.0165006 0.0930426 0.0917628
Brugia malayi Immunoglobulin I-set domain containing protein 0.0378973 0.263793 0.303797
Loa Loa (eye worm) hypothetical protein 0.130151 1 1
Echinococcus granulosus cAMP specific 3'5' cyclic phosphodiesterase 0.130151 1 1
Trichomonas vaginalis high-affinity cGMP-specific 3,5-cyclic phosphodiesterase, putative 0.0215186 0.133088 1
Toxoplasma gondii 3'5'-cyclic nucleotide phosphodiesterase domain-containing protein 0.130151 1 1
Loa Loa (eye worm) calcium/calmodulin-stimulated cyclic nucleotide phosphodiesterase 0.0165006 0.0930426 0.0930426
Entamoeba histolytica kinesin, putative 0.0144189 0.0764302 0.5
Trichomonas vaginalis cGMP-inhibited 3,5-cyclic phosphodiesterase, putative 0.0215186 0.133088 1
Echinococcus granulosus defective proboscis extension response 0.0347407 0.238603 0.160493
Trichomonas vaginalis cGMP-dependent 3,5-cyclic phosphodiesterase, putative 0.0184445 0.108556 0.813698
Echinococcus granulosus cAMP specific 3'5' cyclic phosphodiesterase 0.130151 1 1
Schistosoma mansoni cgmp-dependent 35-cyclic phosphodiesterase 0.0184445 0.108556 0.034784
Brugia malayi hypothetical protein 0.0347407 0.238603 0.274786
Echinococcus multilocularis roundabout 2 0.0347407 0.238603 0.160493
Loa Loa (eye worm) hypothetical protein 0.0347407 0.238603 0.238603
Echinococcus multilocularis Immunoglobulin 0.0347407 0.238603 0.160493
Giardia lamblia CAMP-specific 3,5-cyclic phosphodiesterase 4B 0.130151 1 1
Echinococcus multilocularis neuroglian 0.0347407 0.238603 0.160493
Loa Loa (eye worm) hypothetical protein 0.0184445 0.108556 0.108556
Toxoplasma gondii 3'5'-cyclic nucleotide phosphodiesterase domain-containing protein 0.0165006 0.0930426 0.0917628
Trichomonas vaginalis cAMP-specific 3,5-cyclic phosphodiesterase, putative 0.0215186 0.133088 1
Schistosoma mansoni camp/cgmp cyclic nucleotide phosphodiesterase 0.0215186 0.133088 0.0613461
Trichomonas vaginalis cyclic nucleotide phosphodiesterase, putative 0.0165006 0.0930426 0.695888
Trichomonas vaginalis rod cGMP-specific 3,5-cyclic phosphodiesterase, putative 0.0215186 0.133088 1
Plasmodium falciparum phosphodiesterase gamma, putative 0.0165006 0.0930426 1
Plasmodium vivax 3',5'-cyclic nucleotide phosphodiesterase, putative 0.0165006 0.0930426 1
Trichomonas vaginalis calcium/calmodulin-dependent 3,5-cyclic nucleotide phosphodiesterase, putative 0.0215186 0.133088 1
Echinococcus multilocularis cAMP and cAMP inhibited cGMP 3',5' cyclic 0.0184445 0.108556 0.0171046
Trichomonas vaginalis high-affinity cGMP-specific 3,5-cyclic phosphodiesterase, putative 0.0184445 0.108556 0.813698
Loa Loa (eye worm) cyclic AMP specific phosphodiesterase PDE4D5A 0.11365 0.868321 0.868321
Trichomonas vaginalis cyclic nucleotide phosphodiesterase, putative 0.0215186 0.133088 1
Plasmodium falciparum phosphodiesterase delta, putative 0.0165006 0.0930426 1
Loa Loa (eye worm) hypothetical protein 0.0347407 0.238603 0.238603
Loa Loa (eye worm) hypothetical protein 0.0165006 0.0930426 0.0930426
Echinococcus granulosus kinesin family 1 0.109173 0.832594 0.81542
Schistosoma mansoni nephrin 0.0347407 0.238603 0.175593
Toxoplasma gondii 3'5'-cyclic nucleotide phosphodiesterase domain-containing protein 0.0165006 0.0930426 0.0917628
Schistosoma mansoni camp-specific 35-cyclic phosphodiesterase 0.0165006 0.0930426 0.0179871
Echinococcus multilocularis kinesin family 1 0.109173 0.832594 0.81542
Giardia lamblia hypothetical protein 0.0165006 0.0930426 0.0179871
Loa Loa (eye worm) hypothetical protein 0.0347407 0.238603 0.238603
Toxoplasma gondii 3'5'-cyclic nucleotide phosphodiesterase domain-containing protein 0.0165006 0.0930426 0.0917628
Plasmodium falciparum cGMP-specific phosphodiesterase 0.0165006 0.0930426 1
Trypanosoma cruzi cAMP specific phosphodiesterase, putative 0.0195746 0.117574 0.612608
Schistosoma mansoni calcium/calmodulin-dependent 35-cyclic nucleotide phosphodiesterase 0.0165006 0.0930426 0.0179871
Schistosoma mansoni high-affinity cgmp-specific 35-cyclic phosphodiesterase 0.0165006 0.0930426 0.0179871
Toxoplasma gondii 3'5'-cyclic nucleotide phosphodiesterase domain-containing protein 0.0165006 0.0930426 0.0917628
Loa Loa (eye worm) hypothetical protein 0.0347407 0.238603 0.238603
Plasmodium vivax 3',5'-cyclic nucleotide phosphodiesterase, putative 0.0165006 0.0930426 1
Trichomonas vaginalis cAMP-specific phosphodiesterase, putative 0.0195746 0.117574 0.882189
Trichomonas vaginalis conserved hypothetical protein 0.0215186 0.133088 1
Schistosoma mansoni high-affinity cgmp-specific 35-cyclic phosphodiesterase 0.0165006 0.0930426 0.0179871
Trichomonas vaginalis cGMP-dependent 3,5-cyclic phosphodiesterase, putative 0.0215186 0.133088 1
Echinococcus granulosus neurotracting:lsamp:neurotrimin:obcam 0.0347407 0.238603 0.160493
Brugia malayi 3'5'-cyclic nucleotide phosphodiesterase family protein 0.0165006 0.0930426 0.107152
Trichomonas vaginalis high-affinity cGMP-specific 3,5-cyclic phosphodiesterase, putative 0.0165006 0.0930426 0.695888
Echinococcus multilocularis cAMP specific 3',5' cyclic phosphodiesterase 0.11365 0.868321 0.854813
Trichomonas vaginalis cGMP-inhibited 3,5-cyclic phosphodiesterase, putative 0.0165006 0.0930426 0.695888
Loa Loa (eye worm) kinesin-like protein KLP2 0.0144189 0.0764302 0.0764302
Toxoplasma gondii 3'5'-cyclic nucleotide phosphodiesterase domain-containing protein 0.0165006 0.0930426 0.0917628
Trichomonas vaginalis calcium/calmodulin-dependent 3,5-cyclic nucleotide phosphodiesterase, putative 0.0215186 0.133088 1
Toxoplasma gondii 3'5'-cyclic nucleotide phosphodiesterase domain-containing protein 0.0165006 0.0930426 0.0917628
Trichomonas vaginalis calcium/calmodulin-dependent 3,5-cyclic nucleotide phosphodiesterase, putative 0.0184445 0.108556 0.813698
Trichomonas vaginalis conserved hypothetical protein 0.0165006 0.0930426 0.695888
Trichomonas vaginalis calcium/calmodulin-dependent 3,5-cyclic nucleotide phosphodiesterase, putative 0.0215186 0.133088 1
Echinococcus multilocularis basement membrane specific heparan sulfate 0.0347407 0.238603 0.160493
Toxoplasma gondii 3'5'-cyclic nucleotide phosphodiesterase domain-containing protein 0.0165006 0.0930426 0.0917628
Brugia malayi Fibronectin type III domain containing protein 0.0347407 0.238603 0.274786
Schistosoma mansoni camp-specific 35-cyclic phosphodiesterase 0.0165006 0.0930426 0.0179871
Trichomonas vaginalis cAMP-specific phosphodiesterase, putative 0.0215186 0.133088 1
Trichomonas vaginalis high-affinity cGMP-specific 3,5-cyclic phosphodiesterase, putative 0.0165006 0.0930426 0.695888
Trichomonas vaginalis high-affinity cGMP-specific 3,5-cyclic phosphodiesterase, putative 0.0165006 0.0930426 0.695888
Trichomonas vaginalis calcium/calmodulin-dependent 3,5-cyclic nucleotide phosphodiesterase, putative 0.0215186 0.133088 1
Trypanosoma brucei cAMP-specific phosphodiesterase 0.0215186 0.133088 1
Trichomonas vaginalis high-affinity cGMP-specific 3,5-cyclic phosphodiesterase, putative 0.0215186 0.133088 1
Loa Loa (eye worm) TK/KIN16 protein kinase 0.0378973 0.263793 0.263793
Toxoplasma gondii 3'5'-cyclic nucleotide phosphodiesterase domain-containing protein 0.0165006 0.0930426 0.0917628
Toxoplasma gondii 3'5'-cyclic nucleotide phosphodiesterase domain-containing protein 0.0165006 0.0930426 0.0917628
Echinococcus multilocularis cAMP specific 3',5' cyclic phosphodiesterase 0.130151 1 1
Trichomonas vaginalis cone cGMP-specific 3,5-cyclic phosphodiesterase, putative 0.0215186 0.133088 1
Plasmodium vivax cyclic nucleotide phosphodiesterase, putative 0.0165006 0.0930426 1
Brugia malayi Probable 3',5'-cyclic phosphodiesterase T04D3.3, putative 0.0165006 0.0930426 0.107152
Trichomonas vaginalis rod cGMP-specific 3,5-cyclic phosphodiesterase, putative 0.0215186 0.133088 1
Trichomonas vaginalis calcium/calmodulin-dependent 3',5'-cyclic nucleotide phosphodiesterase, putative 0.0165006 0.0930426 0.695888
Schistosoma mansoni hypothetical protein 0.0947545 0.717528 0.694152
Loa Loa (eye worm) hypothetical protein 0.0165006 0.0930426 0.0930426
Echinococcus granulosus neuroglian 0.0347407 0.238603 0.160493
Trichomonas vaginalis calcium/calmodulin-dependent 3,5-cyclic nucleotide phosphodiesterase, putative 0.0215186 0.133088 1
Trichomonas vaginalis conserved hypothetical protein 0.0165006 0.0930426 0.695888
Trichomonas vaginalis cone cGMP-specific 3,5-cyclic phosphodiesterase, putative 0.0215186 0.133088 1
Trypanosoma cruzi cAMP specific phosphodiesterase, putative 0.0215186 0.133088 1
Trichomonas vaginalis cAMP and cAMP-inhibited cGMP 3,5-cyclic phosphodiesterase, putative 0.0165006 0.0930426 0.695888
Giardia lamblia Hypothetical protein 0.0165006 0.0930426 0.0179871
Trichomonas vaginalis cAMP-specific 3,5-cyclic phosphodiesterase, putative 0.0215186 0.133088 1
Toxoplasma gondii 3'5'-cyclic nucleotide phosphodiesterase domain-containing protein 0.0165006 0.0930426 0.0917628
Toxoplasma gondii 3'5'-cyclic nucleotide phosphodiesterase domain-containing protein 0.0165006 0.0930426 0.0917628
Echinococcus granulosus cAMP and cAMP inhibited cGMP 3'5' cyclic 0.0184445 0.108556 0.0171046
Loa Loa (eye worm) hypothetical protein 0.0347407 0.238603 0.238603

Activities

Activity type Activity value Assay description Source Reference
EC50 (functional) = 15 uM Plasmodium falciparum 3D7 EC50 (uM) as measured by SYBR green dye Saint Jude. 20485428
EC50 (functional) = 15 uM Plasmodium falciparum K1 EC50 (uM) as measured by SYBR green dye Saint Jude. 20485428
EC50 (functional) > 15 uM ST_JUDE: Plasmodium falciparum K1 EC50 (uM) as measured by SYBR green dye ChEMBL. 20485428
EC50 (functional) > 15 uM ST_JUDE: Plasmodium falciparum 3D7 EC50 (uM) as measured by SYBR green dye ChEMBL. 20485428
Percent growth inhibition (functional) = 97.8 % Plasmodium falciparum 3D7 % growth inhibition at 7uM as measured by YOYO-3 red dye Saint Jude. 20485428
Percent growth inhibition (functional) = 121.6 % Plasmodium falciparum 3D7 % growth inhibition at 7uM as measured by SYBR green dye Saint Jude. 20485428

Phenotypes

Whole-cell/tissue/organism interactions

Species name Source Reference Is orphan
Plasmodium falciparum ChEMBL23 20485428

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.

If you have references for this compound, please enter them in a user comment (below) or Contact us.