Detailed information for compound 15235

Basic information

Technical information
  • TDR Targets ID: 15235
  • Name: (2R)-2-azaniumyl-3-[4-(4-hydroxyphenoxy)-3,5- diiodophenyl]propanoate
  • MW: 525.077 | Formula: C15H13I2NO4
  • H donors: 3 H acceptors: 3 LogP: 1.06 Rotable bonds: 5
    Rule of 5 violations (Lipinski): 2
  • SMILES: OC(=O)[C@@H](Cc1cc(I)c(c(c1)I)Oc1ccc(cc1)O)N
  • InChi: 1S/C15H13I2NO4/c16-11-5-8(7-13(18)15(20)21)6-12(17)14(11)22-10-3-1-9(19)2-4-10/h1-6,13,19H,7,18H2,(H,20,21)/t13-/m1/s1
  • InChiKey: ZHSOTLOTTDYIIK-CYBMUJFWSA-N  


Substructure search Similarity search

Network

Hover on a compound node to display the structore

Synonyms

  • (2R)-2-azaniumyl-3-[4-(4-hydroxyphenoxy)-3,5-diiodo-phenyl]propanoate
  • (2R)-2-ammonio-3-[4-(4-hydroxyphenoxy)-3,5-diiodophenyl]propanoate
  • (2R)-2-ammonio-3-[4-(4-hydroxyphenoxy)-3,5-diiodo-phenyl]propionate
  • (2R)-2-amino-3-[4-(4-hydroxyphenoxy)-3,5-diiodophenyl]propanoic acid
  • (2R)-2-amino-3-[4-(4-hydroxyphenoxy)-3,5-diiodo-phenyl]propanoic acid
  • (2R)-2-azanyl-3-[4-(4-hydroxyphenoxy)-3,5-diiodo-phenyl]propanoic acid
  • (2R)-2-amino-3-[4-(4-hydroxyphenoxy)-3,5-diiodo-phenyl]propionic acid
  • EINECS 226-937-7
  • O-(4-Hydroxyphenyl)-3,5-diiodo-D-tyrosine
  • ZINC04258248

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Rattus norvegicus Glutamate NMDA 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
No druggable targets predicted by sequence similarity
Obtained from network model

Ranking Plot

Putative Targets List

Species Potential target Raw Global Species
Mycobacterium ulcerans F0F1 ATP synthase subunit alpha 0.0076 0.1227 1
Plasmodium vivax vacuolar ATP synthase subunit b, putative 0.017 0.3424 1
Echinococcus multilocularis sodium:potassium dependent atpase beta subunit 0.0066 0.1007 0.1007
Echinococcus multilocularis nervana 2 0.0066 0.1007 0.1007
Entamoeba histolytica V-type ATPase, A subunit, putative 0.0052 0.0678 0.198
Brugia malayi vacuolar ATP synthase catalytic subunit A, osteoclast isoform 0.0052 0.0678 0.198
Toxoplasma gondii vacuolar proton translocating ATPase subunit A, putative 0.0042 0.0429 0.0273
Entamoeba histolytica proliferating cell nuclear antigen, putative 0.0038 0.0345 0.1009
Toxoplasma gondii vacuolar proton translocating ATPase subunit, putative 0.0042 0.0429 0.0273
Loa Loa (eye worm) hypothetical protein 0.0042 0.0429 0.1254
Loa Loa (eye worm) V-type ATPase 116kDa subunit family protein 0.0042 0.0429 0.1254
Leishmania major ATPase beta subunit, putative 0.0052 0.0678 0.108
Onchocerca volvulus ATP synthase subunit alpha, mitochondrial homolog 0.0076 0.1227 1
Loa Loa (eye worm) vacuolar proton pump 0.0042 0.0429 0.1254
Leishmania major vacuolar proton translocating ATPase subunit A, putative 0.0042 0.0429 0.0273
Echinococcus multilocularis nmda type glutamate receptor 0.0032 0.0206 0.0206
Echinococcus multilocularis V type proton ATPase 116 kDa subunit a 0.0042 0.0429 0.0429
Echinococcus multilocularis ATP synthase subunit beta, mitochondrial 0.0052 0.0678 0.0678
Trypanosoma cruzi Vacuolar proton pump subunit B, putative 0.017 0.3424 1
Schistosoma mansoni proliferating cell nuclear antigen 0.0038 0.0345 0.1009
Mycobacterium tuberculosis Probable ATP synthase alpha chain AtpA 0.0076 0.1227 0.5
Echinococcus multilocularis V type proton ATPase 116 kDa subunit a 0.0042 0.0429 0.0429
Plasmodium vivax vacuolar ATP synthase catalytic subunit A, putative 0.0052 0.0678 0.108
Echinococcus granulosus vacuolar ATP synthase subunit b 0.017 0.3424 0.3424
Schistosoma mansoni ATP synthase alpha subunit mitochondrial 0.0076 0.1227 0.3584
Loa Loa (eye worm) vacuolar ATP synthase subunit B 0.017 0.3424 1
Echinococcus multilocularis sodium:potassium dependent atpase beta subunit 0.0066 0.1007 0.1007
Echinococcus granulosus nervana 2 0.0066 0.1007 0.1007
Echinococcus granulosus V type proton ATPase 116 kDa subunit a 0.0042 0.0429 0.0429
Echinococcus multilocularis sodium:potassium dependent atpase beta subunit 0.0066 0.1007 0.1007
Treponema pallidum V-type ATP synthase subunit B 0.017 0.3424 1
Trypanosoma cruzi V-type ATPase, A subunit, putative 0.0052 0.0678 0.108
Echinococcus granulosus nervana 2 0.0066 0.1007 0.1007
Giardia lamblia Vacuolar proton-ATPase subunit, putative 0.0042 0.0429 0.0273
Schistosoma mansoni vacuolar proton atpases 0.0042 0.0429 0.1254
Schistosoma mansoni ATP synthase subunit beta vacuolar 0.017 0.3424 1
Brugia malayi V-type ATPase 116kDa subunit family protein 0.0042 0.0429 0.1254
Trypanosoma brucei V-type ATPase, A subunit, putative 0.0052 0.0678 0.108
Echinococcus granulosus ATP synthase subunit beta mitochondrial 0.0052 0.0678 0.0678
Trypanosoma cruzi V-type proton ATPase subunit a, putative 0.0042 0.0429 0.0273
Echinococcus granulosus nmda type glutamate receptor 0.0032 0.0206 0.0206
Brugia malayi vacuolar proton pump 0.0042 0.0429 0.1254
Brugia malayi proliferating cell nuclear antigen (PCNA) 0.0038 0.0345 0.1009
Loa Loa (eye worm) hypothetical protein 0.0066 0.1007 0.2942
Trichomonas vaginalis ATP synthase, putative 0.017 0.3424 1
Toxoplasma gondii ATP synthase beta subunit ATP-B 0.0052 0.0678 0.108
Echinococcus multilocularis Glutamate receptor, ionotropic kainate 3 0.0032 0.0206 0.0206
Echinococcus granulosus ATP synthase subunit alpha mitochondrial 0.0076 0.1227 0.1227
Echinococcus granulosus nervana 2 0.0066 0.1007 0.1007
Brugia malayi ATP synthase beta chain, mitochondrial precursor, putative 0.0052 0.0678 0.198
Trypanosoma cruzi vacuolar proton-ATPase-like protein, putative 0.0042 0.0429 0.0273
Schistosoma mansoni ATP synthase beta subunit 0.0052 0.0678 0.198
Schistosoma mansoni proliferating cell nuclear antigen 0.0038 0.0345 0.1009
Trypanosoma cruzi V-type ATPase, A subunit, putative 0.0052 0.0678 0.108
Plasmodium falciparum ATP synthase subunit beta, mitochondrial 0.0052 0.0678 0.108
Schistosoma mansoni ATP synthase alpha subunit vacuolar 0.0052 0.0678 0.198
Echinococcus granulosus sodium:potassium dependent atpase beta subunit 0.0066 0.1007 0.1007
Schistosoma mansoni sodium/potassium-dependent atpase beta subunit 0.0066 0.1007 0.2942
Brugia malayi vacuolar ATP synthase subunit B 0.017 0.3424 1
Trichomonas vaginalis proliferating cell nuclear antigen, putative 0.0038 0.0345 0.1009
Leishmania major ATPase alpha subunit 0.0046 0.053 0.06
Toxoplasma gondii vacuolar ATP synthase subunit b, putative 0.017 0.3424 1
Loa Loa (eye worm) proliferating cell nuclear antigen 0.0038 0.0345 0.1009
Echinococcus multilocularis nervana 2 0.0066 0.1007 0.1007
Plasmodium falciparum V-type proton ATPase subunit a, putative 0.0042 0.0429 0.0273
Echinococcus granulosus proliferating cell nuclear antigen 0.0038 0.0345 0.0345
Echinococcus multilocularis vacuolar ATP synthase subunit b 0.017 0.3424 0.3424
Leishmania major ATPase alpha subunit 0.0046 0.053 0.06
Trypanosoma brucei ATP synthase F1, alpha subunit 0.0046 0.053 0.06
Echinococcus granulosus sodium:potassium transporting ATPase subunit 0.0066 0.1007 0.1007
Plasmodium vivax ATP synthase subunit beta, mitochondrial, putative 0.0052 0.0678 0.108
Echinococcus multilocularis nervana 2 0.0066 0.1007 0.1007
Schistosoma mansoni vacuolar proton atpases 0.0042 0.0429 0.1254
Echinococcus multilocularis ATP synthase subunit alpha, mitochondrial 0.0076 0.1227 0.1227
Loa Loa (eye worm) hypothetical protein 0.0042 0.0429 0.1254
Loa Loa (eye worm) hypothetical protein 0.0066 0.1007 0.2942
Entamoeba histolytica V-type ATPase, B subunit, putative 0.017 0.3424 1
Giardia lamblia Vacuolar ATP synthase subunit B 0.017 0.3424 1
Echinococcus granulosus nervana 2 0.0066 0.1007 0.1007
Trypanosoma brucei ATP synthase F1, alpha subunit 0.0046 0.053 0.06
Entamoeba histolytica vacuolar proton ATPase subunit, putative 0.0042 0.0429 0.1254
Plasmodium falciparum V-type proton ATPase subunit B 0.017 0.3424 1
Schistosoma mansoni sodium / potassium ATPase beta chain 0.0066 0.1007 0.2942
Trichomonas vaginalis vacuolar proton ATPase, putative 0.0042 0.0429 0.1254
Trichomonas vaginalis proliferating cell nuclear antigen, putative 0.0038 0.0345 0.1009
Giardia lamblia Vacuolar ATP synthase catalytic subunit A 0.0052 0.0678 0.108
Echinococcus granulosus sodium:potassium dependent atpase beta subunit 0.0066 0.1007 0.1007
Trichomonas vaginalis vacuolar proton ATPase, putative 0.0042 0.0429 0.1254
Trypanosoma brucei Vacuolar proton pump subunit B, putative 0.017 0.3424 1
Trypanosoma brucei ATP synthase subunit beta, mitochondrial 0.0052 0.0678 0.108
Loa Loa (eye worm) vacuolar H ATPase family member 0.0052 0.0678 0.198
Trypanosoma brucei V-type proton ATPase subunit a, putative 0.0042 0.0429 0.0273
Wolbachia endosymbiont of Brugia malayi ATP synthase F0F1 subunit alpha 0.0076 0.1227 1
Trichomonas vaginalis ATP synthase beta subunit, putative 0.0052 0.0678 0.198
Echinococcus granulosus vacuolar H ATPase v1 sector subunit A 0.0052 0.0678 0.0678
Trypanosoma cruzi ATP synthase subunit beta, mitochondrial, putative 0.0052 0.0678 0.108
Schistosoma mansoni sodium/potassium-dependent atpase beta subunit 0.0066 0.1007 0.2942
Plasmodium vivax ATP synthase alpha chain, putative 0.0076 0.1227 0.2865
Mycobacterium leprae PROBABLE ATP SYNTHASE BETA CHAIN ATPD 0.0076 0.1227 0.5
Toxoplasma gondii vacuolar ATP synthase subunit A, putative 0.0052 0.0678 0.108
Leishmania major vacuolar ATP synthase catalytic subunit A, putative 0.0052 0.0678 0.108
Trichomonas vaginalis vacuolar proton ATPase subunit A4, putative 0.0042 0.0429 0.1254
Brugia malayi ATP synthase alpha chain, mitochondrial precursor, putative 0.0076 0.1227 0.3584
Plasmodium vivax vacuolar proton translocating ATPase subunit A, putative 0.0042 0.0429 0.0273
Mycobacterium leprae PROBABLE ATP SYNTHASE ALPHA CHAIN ATPA 0.0076 0.1227 0.5
Echinococcus granulosus V type proton ATPase 116 kDa subunit a 0.0042 0.0429 0.0429
Leishmania major ATPase beta subunit, putative 0.0052 0.0678 0.108
Trichomonas vaginalis ATP synthase, putative 0.003 0.0156 0.0455
Leishmania major vacuolar ATP synthase subunit b, putative 0.017 0.3424 1
Entamoeba histolytica vacuolar proton ATPase subunit, putative 0.0042 0.0429 0.1254
Echinococcus granulosus sodium:potassium dependent atpase beta subunit 0.0066 0.1007 0.1007
Mycobacterium tuberculosis Probable ATP synthase beta chain AtpD 0.0076 0.1227 0.5
Schistosoma mansoni transmemberane protein 0.0066 0.1007 0.2942
Trichomonas vaginalis ATP synthase alpha subunit mitochondrial, putative 0.017 0.3424 1
Leishmania major vacuolar proton-ATPase-like protein, putative 0.0042 0.0429 0.0273
Echinococcus multilocularis sodium:potassium transporting ATPase subunit 0.0066 0.1007 0.1007
Trypanosoma cruzi V-type proton ATPase subunit B, putative 0.017 0.3424 1
Chlamydia trachomatis V-type ATP synthase subunit B 0.017 0.3424 1
Echinococcus multilocularis nervana 2 0.0066 0.1007 0.1007
Echinococcus multilocularis expressed protein 0.0451 1 1
Entamoeba histolytica vacuolar ATP synthase subunit B, putative 0.003 0.0156 0.0455
Plasmodium falciparum V-type proton ATPase catalytic subunit A 0.0052 0.0678 0.108
Treponema pallidum V-type ATP synthase subunit B 0.017 0.3424 1
Echinococcus multilocularis proliferating cell nuclear antigen 0.0038 0.0345 0.0345
Echinococcus multilocularis vacuolar H+ ATPase v1 sector subunit A 0.0052 0.0678 0.0678
Schistosoma mansoni vacuolar proton atpases 0.0042 0.0429 0.1254
Schistosoma mansoni sodium/potassium-dependent atpase beta subunit 0.0066 0.1007 0.2942
Trypanosoma cruzi vacuolar proton translocating ATPase subunit A, putative 0.0042 0.0429 0.0273
Brugia malayi vacuolar proton pump 0.0042 0.0429 0.1254
Plasmodium falciparum ATP synthase F1, alpha subunit 0.0076 0.1227 0.2865

Activities

Activity type Activity value Assay description Source Reference
IC50 (binding) = 4.1 uM Ability to displace [3H]L-689,560 from NMDA receptor glycine site in rat brain membranes ChEMBL. No reference
IC50 (binding) = 4.1 uM Ability to displace [3H]L-689,560 from NMDA receptor glycine site in rat brain membranes 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.

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