Detailed information for compound 227818

Basic information

Technical information
  • TDR Targets ID: 227818
  • Name: 5-(4-chlorophenyl)-9-phenyl-2,3-dihydroimidaz o[2,1-a]isoindol-5-ol
  • MW: 360.836 | Formula: C22H17ClN2O
  • H donors: 1 H acceptors: 1 LogP: 3.82 Rotable bonds: 2
    Rule of 5 violations (Lipinski): 1
  • SMILES: Clc1ccc(cc1)C1(O)N2CCN=C2c2c1cccc2c1ccccc1
  • InChi: 1S/C22H17ClN2O/c23-17-11-9-16(10-12-17)22(26)19-8-4-7-18(15-5-2-1-3-6-15)20(19)21-24-13-14-25(21)22/h1-12,26H,13-14H2
  • InChiKey: JRNGIVHBMLVCBM-UHFFFAOYSA-N  

Network

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Synonyms

  • 5-(4-chlorophenyl)-9-phenyl-2,3-dihydroimidazo[1,2-b]isoindol-5-ol

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Homo sapiens solute carrier family 6 (neurotransmitter transporter), member 3 Starlite/ChEMBL References

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Onchocerca volvulus Get druggable targets OG5_128364 All targets in OG5_128364
Schistosoma japonicum ko:K05336 solute carrier family 6 (neurotransmitter transporter), invertebrate, putative Get druggable targets OG5_128364 All targets in OG5_128364
Schistosoma mansoni sodium/chloride dependent transporter Get druggable targets OG5_128364 All targets in OG5_128364
Schistosoma mansoni norepinephrine/norepinephrine transporter Get druggable targets OG5_128364 All targets in OG5_128364
Schistosoma japonicum Sodium-dependent dopamine transporter, putative Get druggable targets OG5_128364 All targets in OG5_128364
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_128364 All targets in OG5_128364
Schistosoma japonicum Sodium-dependent dopamine transporter, putative Get druggable targets OG5_128364 All targets in OG5_128364
Echinococcus granulosus serotonin transporter Get druggable targets OG5_128364 All targets in OG5_128364
Schistosoma japonicum Sodium-dependent dopamine transporter, putative Get druggable targets OG5_128364 All targets in OG5_128364
Treponema pallidum sodium- and chloride- dependent transporter Get druggable targets OG5_128364 All targets in OG5_128364
Loa Loa (eye worm) solute carrier family 6 member 4 Get druggable targets OG5_128364 All targets in OG5_128364
Schistosoma japonicum Sodium-dependent dopamine transporter, putative Get druggable targets OG5_128364 All targets in OG5_128364
Schistosoma japonicum Sodium-dependent dopamine transporter, putative Get druggable targets OG5_128364 All targets in OG5_128364
Schistosoma japonicum Sodium-dependent noradrenaline transporter, putative Get druggable targets OG5_128364 All targets in OG5_128364
Echinococcus multilocularis serotonin transporter Get druggable targets OG5_128364 All targets in OG5_128364
Schistosoma japonicum IPR000175,Sodium:neurotransmitter symporter,domain-containing Get druggable targets OG5_128364 All targets in OG5_128364
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_128364 All targets in OG5_128364
Schistosoma japonicum Sodium-dependent dopamine transporter, putative Get druggable targets OG5_128364 All targets in OG5_128364
Loa Loa (eye worm) serotonin transporter b Get druggable targets OG5_128364 All targets in OG5_128364
Loa Loa (eye worm) norepinephrine transporter Get druggable targets OG5_128364 All targets in OG5_128364
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_128364 All targets in OG5_128364
Brugia malayi Sodium:neurotransmitter symporter family protein Get druggable targets OG5_128364 All targets in OG5_128364

By sequence similarity to non orthologous known druggable targets
Species Potential target Known druggable target Length Alignment span Identity
Brugia malayi Sodium:neurotransmitter symporter family protein solute carrier family 6 (neurotransmitter transporter), member 3 620 aa 579 aa 33.2 %

Obtained from network model

Ranking Plot


Putative Targets List


Species Potential target Raw Global Species
Trypanosoma cruzi adenosine monophosphate deaminase, putative 0.2706 0.4411 1
Entamoeba histolytica adenosine deaminase, putative 0.5201 1 1
Loa Loa (eye worm) hypothetical protein 0.3232 0.5589 0.5589
Leishmania major adenosine monophosphate deaminase, putative,AMP deaminase, putative 0.2706 0.4411 0.2279
Toxoplasma gondii Adenosine/AMP deaminase domain-containing protein 0.5201 1 1
Trichomonas vaginalis adenosine deaminase, putative 0.5201 1 0.5
Mycobacterium ulcerans adenosine deaminase 0.5201 1 0.5
Plasmodium falciparum adenosine deaminase 0.5201 1 1
Entamoeba histolytica adenosine deaminase, putative 0.5201 1 1
Trypanosoma cruzi AMP deaminase, putative 0.2706 0.4411 1
Schistosoma mansoni adenosine deaminase 0.5201 1 1
Leishmania major adenine aminohydrolase 0.5201 1 1
Loa Loa (eye worm) hypothetical protein 0.3232 0.5589 0.5589
Trypanosoma cruzi AMP deaminase, putative 0.2706 0.4411 1
Trypanosoma cruzi AMP deaminase, putative 0.2706 0.4411 1
Echinococcus granulosus adenosine deaminase 0.5201 1 1
Leishmania major AMP deaminase, putative 0.2706 0.4411 0.2279
Loa Loa (eye worm) hypothetical protein 0.5201 1 1
Schistosoma mansoni adenosine deaminase-related 0.5201 1 1
Loa Loa (eye worm) AMP deaminase 0.2706 0.4411 0.4411
Onchocerca volvulus Adenosine deaminase homolog 0.5201 1 1
Treponema pallidum adenosine deaminase 0.5201 1 0.5
Leishmania major AMP deaminase, putative,amp deaminase-like protein 0.2706 0.4411 0.2279
Trypanosoma brucei AMP deaminase, putative 0.2706 0.4411 0.5
Onchocerca volvulus AMP deaminase 2 homolog 0.2706 0.4411 0.2279
Echinococcus multilocularis adenosine deaminase 0.5201 1 1
Mycobacterium leprae Probable adenosine deaminase Add (ADENOSINE AMINOHYDROLASE) 0.5201 1 0.5
Plasmodium vivax adenosine deaminase, putative 0.5201 1 1
Loa Loa (eye worm) hypothetical protein 0.1969 0.2762 0.2762
Trypanosoma brucei AMP deaminase, putative 0.2706 0.4411 0.5
Loa Loa (eye worm) hypothetical protein 0.3232 0.5589 0.5589
Trypanosoma brucei AMP deaminase, putative 0.2706 0.4411 0.5
Mycobacterium tuberculosis Probable adenosine deaminase Add (adenosine aminohydrolase) 0.5201 1 0.5
Trypanosoma cruzi AMP deaminase, putative 0.2706 0.4411 1
Trichomonas vaginalis adenosine deaminase, putative 0.5201 1 0.5
Leishmania major AMP deaminase, putative,adenosine monophosphate deaminase-like protein 0.2706 0.4411 0.2279
Trypanosoma brucei adenosine monophosphate deaminase, putative 0.2706 0.4411 0.5
Trypanosoma cruzi adenosine monophosphate deaminase-like protein, putative 0.2706 0.4411 1
Loa Loa (eye worm) hypothetical protein 0.3232 0.5589 0.5589
Toxoplasma gondii Adenosine/AMP deaminase domain-containing protein 0.5201 1 1
Trypanosoma cruzi AMP deaminase, putative 0.2706 0.4411 1

Activities

Activity type Activity value Assay description Source Reference
IC50 (binding) = 390 nM Displacement of [3H]WIN35,428 from Dopamine Transporter of guinea pig striatal membrane ChEMBL. 12213053
IC50 (binding) = 390 nM Displacement of [3H]WIN35,428 from Dopamine Transporter of guinea pig striatal membrane ChEMBL. 12213053
Ratio (functional) = 0.1 Ratio of the IC50 value of Mazindol to that of the compound. ChEMBL. 12213053

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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