Detailed information for compound 543839

Basic information

Technical information
  • TDR Targets ID: 543839
  • Name: zinc 5,10,15,20-tetraphenylporphyrin-22,24-di ide
  • MW: 678.1 | Formula: C44H28N4Zn
  • H donors: 2 H acceptors: 2 LogP: 10.41 Rotable bonds: 4
    Rule of 5 violations (Lipinski): 2
  • SMILES: c1ccc(cc1)/C/1=C/2\C=CC(=N2)/C(=c\2/cc/c(=C(/C3=N/C(=C(\c4[n-]c1cc4)/c1ccccc1)/C=C3)\c1ccccc1)/[n-]2)/c1ccccc1.[Zn+2]
  • InChi: 1S/C44H28N4.Zn/c1-5-13-29(14-6-1)41-33-21-23-35(45-33)42(30-15-7-2-8-16-30)37-25-27-39(47-37)44(32-19-11-4-12-20-32)40-28-26-38(48-40)43(31-17-9-3-10-18-31)36-24-22-34(41)46-36;/h1-28H;/q-2;+2/b41-33-,41-34-,42-35-,42-37-,43-36-,43-38-,44-39-,44-40-;
  • InChiKey: XPVVGUHKLPZAEN-DAJBKUBHSA-N  

Network

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Synonyms

  • zinc 5,10,15,20-tetraphenylporphine-22,24-diide

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Electrophorus electricus Acetylcholinesterase Starlite/ChEMBL References

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Brugia malayi Carboxylesterase family protein Get druggable targets OG5_126875 All targets in OG5_126875
Echinococcus granulosus acetylcholinesterase Get druggable targets OG5_126875 All targets in OG5_126875
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_126875 All targets in OG5_126875
Echinococcus multilocularis carboxylesterase 5A Get druggable targets OG5_126875 All targets in OG5_126875
Loa Loa (eye worm) carboxylesterase Get druggable targets OG5_126875 All targets in OG5_126875
Schistosoma mansoni family S9 non-peptidase homologue (S09 family) Get druggable targets OG5_126875 All targets in OG5_126875
Echinococcus granulosus acetylcholinesterase Get druggable targets OG5_126875 All targets in OG5_126875
Brugia malayi Carboxylesterase family protein Get druggable targets OG5_126875 All targets in OG5_126875
Echinococcus multilocularis acetylcholinesterase Get druggable targets OG5_126875 All targets in OG5_126875
Echinococcus multilocularis acetylcholinesterase Get druggable targets OG5_126875 All targets in OG5_126875
Schistosoma japonicum Acetylcholinesterase 1 precursor, putative Get druggable targets OG5_126875 All targets in OG5_126875
Loa Loa (eye worm) acetylcholinesterase 1 Get druggable targets OG5_126875 All targets in OG5_126875
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_126875 All targets in OG5_126875
Schistosoma japonicum ko:K01049 acetylcholinesterase [EC3.1.1.7], putative Get druggable targets OG5_126875 All targets in OG5_126875
Echinococcus granulosus carboxylesterase 5A Get druggable targets OG5_126875 All targets in OG5_126875

By sequence similarity to non orthologous known druggable targets
Species Potential target Known druggable target Length Alignment span Identity
Loa Loa (eye worm) hypothetical protein Acetylcholinesterase   633 aa 576 aa 23.4 %
Onchocerca volvulus Molybdopterin synthase catalytic subunit homolog Acetylcholinesterase   633 aa 576 aa 28.8 %
Onchocerca volvulus Acetylcholinesterase   633 aa 648 aa 25.3 %
Echinococcus multilocularis neuroligin Acetylcholinesterase   633 aa 507 aa 23.9 %
Echinococcus granulosus BC026374 protein S09 family Acetylcholinesterase   633 aa 690 aa 31.7 %
Drosophila melanogaster CG10175 gene product from transcript CG10175-RE Acetylcholinesterase   633 aa 549 aa 30.4 %
Brugia malayi Carboxylesterase family protein Acetylcholinesterase   633 aa 620 aa 28.4 %
Brugia malayi Carboxylesterase family protein Acetylcholinesterase   633 aa 517 aa 25.1 %
Echinococcus multilocularis BC026374 protein (S09 family) Acetylcholinesterase   633 aa 690 aa 32.3 %
Loa Loa (eye worm) hypothetical protein Acetylcholinesterase   633 aa 597 aa 25.1 %
Schistosoma mansoni family S9 non-peptidase homologue (S09 family) Acetylcholinesterase   633 aa 622 aa 24.9 %

Obtained from network model

Ranking Plot


Putative Targets List


Species Potential target Raw Global Species
Loa Loa (eye worm) oxidoreductase 0.0518 1 1
Echinococcus multilocularis aldo keto reductase family 1, member B4 0.0518 1 1
Onchocerca volvulus 0.0518 1 1
Trichomonas vaginalis aldo-keto reductase, putative 0.0518 1 1
Echinococcus multilocularis aldo keto reductase family 1, member B4 0.0518 1 1
Trichomonas vaginalis aldo-keto reductase, putative 0.0518 1 1
Brugia malayi Carboxylesterase family protein 0.0082 0.0939 0.0939
Echinococcus granulosus aldo keto reductase 0.0518 1 1
Leishmania major prostaglandin f2-alpha synthase/D-arabinose dehydrogenase 0.0518 1 1
Mycobacterium leprae Conserved hypothetical protein 0.0368 0.6883 0.5922
Trichomonas vaginalis dihydrodiol dehydrogenase, putative 0.0518 1 1
Echinococcus granulosus acetylcholinesterase 0.0082 0.0939 0.0939
Mycobacterium leprae PROBABLE OXIDOREDUCTASE 0.0518 1 1
Echinococcus multilocularis acetylcholinesterase 0.0082 0.0939 0.0939
Leishmania major prostaglandin f synthase, putative 0.0518 1 1
Loa Loa (eye worm) hypothetical protein 0.0082 0.0939 0.0939
Trichomonas vaginalis aldo-keto reductase, putative 0.0518 1 1
Echinococcus multilocularis aldo keto reductase family 1, member B4 0.0518 1 1
Schistosoma mansoni family S9 non-peptidase homologue (S09 family) 0.0082 0.0939 0.0939
Brugia malayi NADH-dependent xylose reductase 0.015 0.2355 0.2355
Echinococcus granulosus voltage gated potassium channel subunit 0.015 0.2355 0.2355
Echinococcus multilocularis aldo keto reductase 0.0518 1 1
Trichomonas vaginalis dihydrodiol dehydrogenase, putative 0.0518 1 1
Schistosoma mansoni aldo-keto reductase 0.0518 1 1
Trichomonas vaginalis aldo-keto reductase, putative 0.0518 1 1
Echinococcus multilocularis acetylcholinesterase 0.0082 0.0939 0.0939
Plasmodium vivax aldehyde reductase, putative 0.015 0.2355 0.5
Echinococcus multilocularis aldo keto reductase family 1, member B4 0.0518 1 1
Trichomonas vaginalis aldo/keto reductase, putative 0.0518 1 1
Trypanosoma brucei aldo-keto reductase, putative 0.0518 1 1
Echinococcus granulosus aldo keto reductase family 1 member B4 0.0518 1 1
Mycobacterium tuberculosis Probable oxidoreductase 0.0518 1 1
Toxoplasma gondii aldose reductase, putative 0.0518 1 1
Plasmodium falciparum aldehyde reductase, putative 0.015 0.2355 0.5
Trichomonas vaginalis aldo-keto reductase, putative 0.0518 1 1
Echinococcus granulosus aldo keto reductase family 1, member B4 0.015 0.2355 0.2355
Giardia lamblia Aldose reductase 0.0518 1 0.5
Trichomonas vaginalis aldo-keto reductase, putative 0.0518 1 1
Loa Loa (eye worm) carboxylesterase 0.0082 0.0939 0.0939
Echinococcus multilocularis carboxylesterase 5A 0.0082 0.0939 0.0939
Echinococcus multilocularis voltage gated potassium channel subunit 0.015 0.2355 0.2355
Trichomonas vaginalis dihydrodiol dehydrogenase, putative 0.0518 1 1
Echinococcus multilocularis aldo keto reductase family 1, member B4 0.0518 1 1
Mycobacterium ulcerans oxidoreductase 0.0518 1 1
Echinococcus multilocularis aldo keto reductase family 1, member B4 0.0518 1 1
Onchocerca volvulus 0.015 0.2355 0.2355
Trypanosoma cruzi aldo/keto reductase, putative 0.0518 1 1
Echinococcus multilocularis aldo keto reductase family 1, member B4 0.0518 1 1
Loa Loa (eye worm) oxidoreductase 0.0518 1 1
Plasmodium falciparum aldo-keto reductase, putative 0.015 0.2355 0.5
Plasmodium vivax oxidoreductase, aldo/keto reductase domain containing protein 0.015 0.2355 0.5
Trichomonas vaginalis aldo-keto reductase, putative 0.0518 1 1
Loa Loa (eye worm) oxidoreductase 0.0518 1 1
Trypanosoma cruzi aldo-keto reductase 0.0518 1 1
Loa Loa (eye worm) hypothetical protein 0.0082 0.0939 0.0939
Echinococcus multilocularis aldo keto reductase 0.0518 1 1
Schistosoma mansoni aldo-keto reductase 0.0518 1 1
Echinococcus granulosus aldehyde reductase 0.0368 0.6883 0.6883
Schistosoma mansoni pol-related 0.0518 1 1
Loa Loa (eye worm) hypothetical protein 0.0518 1 1
Trichomonas vaginalis aldo-keto reductase, putative 0.0518 1 1
Loa Loa (eye worm) acetylcholinesterase 1 0.0082 0.0939 0.0939
Entamoeba histolytica aldose reductase, putative 0.0518 1 1
Leishmania major aldehyde reductase, putative,oxidoreductase, putative 0.0518 1 1
Brugia malayi Carboxylesterase family protein 0.0082 0.0939 0.0939
Echinococcus multilocularis aldo keto reductase family 1, member B4 0.0518 1 1
Brugia malayi glutamate-cysteine ligase modifier subunit 0.015 0.2355 0.2355
Trichomonas vaginalis aldo/keto reductase, putative 0.0518 1 1
Echinococcus multilocularis aldo keto reductase family 1, member B4 0.0518 1 1
Echinococcus multilocularis aldehyde reductase 0.0368 0.6883 0.6883
Onchocerca volvulus 0.0518 1 1
Giardia lamblia Aldose reductase 0.0518 1 0.5
Onchocerca volvulus 0.0518 1 1
Schistosoma mansoni potassium channel beta 0.015 0.2355 0.2355
Echinococcus granulosus aldo keto reductase family 1 member B4 0.0518 1 1
Brugia malayi oxidoreductase, aldo/keto reductase family protein 0.0518 1 1
Onchocerca volvulus 0.0518 1 1
Echinococcus granulosus aldo keto reductase family 1 member B4 0.0518 1 1
Trichomonas vaginalis aldo-keto reductase, putative 0.0518 1 1
Entamoeba histolytica aldose reductase, putative 0.0518 1 1
Onchocerca volvulus 0.0518 1 1
Echinococcus granulosus aldo keto reductase 0.0518 1 1
Echinococcus granulosus aldo keto reductase family 1 member B4 0.0518 1 1
Echinococcus granulosus acetylcholinesterase 0.0082 0.0939 0.0939
Echinococcus multilocularis aldo keto reductase 0.0518 1 1
Echinococcus granulosus aldo keto reductase family 1 member B4 0.0518 1 1
Trichomonas vaginalis aldo-keto reductase, putative 0.0518 1 1
Entamoeba histolytica aldose reductase, putative 0.0518 1 1
Echinococcus granulosus aldo keto reductase family 1 member B4 0.0518 1 1
Trichomonas vaginalis aldo-keto reductase, putative 0.0518 1 1
Trichomonas vaginalis aldo-keto reductase, putative 0.0518 1 1
Brugia malayi oxidoreductase, aldo/keto reductase family protein 0.0518 1 1
Echinococcus granulosus aldo keto reductase 0.0518 1 1
Trichomonas vaginalis aldo/keto reductase, putative 0.0518 1 1
Echinococcus multilocularis aldo keto reductase family 1, member B4 0.0518 1 1
Echinococcus granulosus aldo keto reductase family 1 member B4 0.0518 1 1
Echinococcus granulosus aldo keto reductase family 1 member B4 0.0518 1 1
Trypanosoma brucei prostaglandin f synthase 0.0518 1 1
Loa Loa (eye worm) oxidoreductase 0.0518 1 1
Brugia malayi oxidoreductase, aldo/keto reductase family protein 0.0518 1 1
Leishmania major aldo-keto reductase-like protein 0.0518 1 1
Echinococcus multilocularis aldo keto reductase 0.0518 1 1
Echinococcus granulosus hypothetical protein 0.0518 1 1
Echinococcus granulosus aldo keto reductase family 1 member B4 0.0518 1 1
Loa Loa (eye worm) oxidoreductase 0.0518 1 1
Loa Loa (eye worm) glutamate-cysteine ligase modifier subunit 0.015 0.2355 0.2355
Echinococcus multilocularis aldo keto reductase family 1, member B4 0.0518 1 1
Echinococcus granulosus carboxylesterase 5A 0.0082 0.0939 0.0939
Onchocerca volvulus 0.0518 1 1

Activities

Activity type Activity value Assay description Source Reference
Ki (binding) = 5.39 uM Compound was evaluated for inhibitory constant for the electric eel Acetylcholinesterase (AChE) ChEMBL. 9873371

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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