Detailed information for compound 553566

Basic information

Technical information
  • TDR Targets ID: 553566
  • Name: 4-vinylprotochlorophyll a
  • MW: 891.473 | Formula: C55H70MgN4O5
  • H donors: 1 H acceptors: 3 LogP: 11.24 Rotable bonds: 22
    Rule of 5 violations (Lipinski): 2
  • SMILES: COC(=O)C1C(=C2C3=NC(=C2C)/C=C/2\N=C(C(=C2C=C)C)/C=C/2\N=C(C=c4[n-]c(=C13)c(CCC(=O)OC/C=C(/CCCC(CCCC(CCCC(C)C)C)C)\C)c4C)C(=C2C=C)C)[O-].[MgH2+2]
  • InChi: 1S/C55H69N4O5.Mg/c1-13-39-35(8)42-28-44-37(10)41(24-25-48(60)64-27-26-34(7)23-17-22-33(6)21-16-20-32(5)19-15-18-31(3)4)52(58-44)50-51(55(62)63-12)54(61)49-38(11)45(59-53(49)50)30-47-40(14-2)36(9)43(57-47)29-46(39)56-42;/h13-14,26,28-33,51H,1-2,15-25,27H2,3-12H3,(H-,56,57,58,59,61);/q-1;+2/p-1/b34-26+,42-28-,43-29-,44-28-,45-30-,46-29-,47-30-,52-50-;
  • InChiKey: VXBBWVCYHSPLNZ-GQLMETRCSA-M  


Substructure search Similarity search

Network

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Synonyms

No synonyms found for this compound

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
Schistosoma mansoni hypothetical protein 0.0049 0.1522 0.2331
Echinococcus granulosus lamin dm0 0.0027 0.0564 0.0174
Mycobacterium ulcerans aldehyde dehydrogenase 0.0124 0.4857 0.5
Echinococcus multilocularis survival motor neuron protein 1 0.024 1 1
Loa Loa (eye worm) hypothetical protein 0.0053 0.1686 0.1686
Brugia malayi TAR-binding protein 0.0132 0.5221 0.5221
Schistosoma mansoni aldehyde dehydrogenase 0.0124 0.4857 0.9246
Schistosoma mansoni tar DNA-binding protein 0.0132 0.5221 1
Loa Loa (eye worm) intermediate filament tail domain-containing protein 0.0027 0.0564 0.0564
Echinococcus granulosus survival motor neuron protein 1 0.024 1 1
Brugia malayi RNA binding protein 0.0132 0.5221 0.5221
Entamoeba histolytica hypothetical protein 0.0035 0.0899 0.5
Echinococcus multilocularis lamin 0.0027 0.0564 0.0174
Entamoeba histolytica hypothetical protein 0.0035 0.0899 0.5
Loa Loa (eye worm) hypothetical protein 0.0027 0.0542 0.0542
Echinococcus multilocularis tar DNA binding protein 0.0132 0.5221 0.5023
Echinococcus granulosus aldehyde dehydrogenase mitochondrial 0.0124 0.4857 0.4644
Entamoeba histolytica hypothetical protein 0.0035 0.0899 0.5
Mycobacterium ulcerans aldehyde dehydrogenase 0.0124 0.4857 0.5
Schistosoma mansoni hypothetical protein 0.0035 0.0899 0.1039
Loa Loa (eye worm) RNA binding protein 0.0132 0.5221 0.5221
Schistosoma mansoni survival motor neuron protein 0.0049 0.1522 0.2331
Onchocerca volvulus 0.0049 0.1522 1
Echinococcus granulosus tar DNA binding protein 0.0132 0.5221 0.5023
Plasmodium vivax ataxin-2 like protein, putative 0.0053 0.1686 0.5
Schistosoma mansoni tar DNA-binding protein 0.0132 0.5221 1
Schistosoma mansoni lamin 0.0027 0.0564 0.0346
Echinococcus multilocularis Basic leucine zipper (bZIP) transcription 0.0035 0.0899 0.0522
Loa Loa (eye worm) intermediate filament protein 0.0027 0.0564 0.0564
Brugia malayi Intermediate filament tail domain containing protein 0.0027 0.0564 0.0564
Brugia malayi hypothetical protein 0.0035 0.0899 0.0899
Mycobacterium ulcerans aldehyde dehydrogenase 0.0124 0.4857 0.5
Loa Loa (eye worm) TAR-binding protein 0.0132 0.5221 0.5221
Loa Loa (eye worm) RNA recognition domain-containing protein domain-containing protein 0.0132 0.5221 0.5221
Echinococcus multilocularis aldehyde dehydrogenase, mitochondrial 0.0124 0.4857 0.4644
Trypanosoma cruzi PAB1-binding protein , putative 0.0053 0.1686 0.5
Plasmodium falciparum ataxin-2 like protein, putative 0.0053 0.1686 0.5
Echinococcus multilocularis lamin dm0 0.0027 0.0564 0.0174
Schistosoma mansoni tar DNA-binding protein 0.0132 0.5221 1
Schistosoma mansoni intermediate filament proteins 0.0027 0.0564 0.0346
Entamoeba histolytica hypothetical protein 0.0035 0.0899 0.5
Schistosoma mansoni tar DNA-binding protein 0.0132 0.5221 1
Schistosoma mansoni aldehyde dehydrogenase 0.0124 0.4857 0.9246
Schistosoma mansoni transcription factor LCR-F1 0.0035 0.0899 0.1039
Echinococcus granulosus intermediate filament protein 0.0027 0.0564 0.0174
Brugia malayi hypothetical protein 0.0034 0.0858 0.0858
Plasmodium falciparum ataxin-2 like protein, putative 0.0053 0.1686 0.5
Loa Loa (eye worm) hypothetical protein 0.0027 0.0564 0.0564
Mycobacterium tuberculosis Probable aldehyde dehydrogenase 0.0124 0.4857 0.5
Leishmania major aldehyde dehydrogenase, mitochondrial precursor 0.0124 0.4857 1
Schistosoma mansoni tar DNA-binding protein 0.0132 0.5221 1
Brugia malayi hypothetical protein 0.0053 0.1686 0.1686
Trypanosoma brucei PAB1-binding protein , putative 0.0053 0.1686 0.5
Loa Loa (eye worm) hypothetical protein 0.024 1 1
Schistosoma mansoni lamin 0.0027 0.0564 0.0346
Echinococcus multilocularis musashi 0.0027 0.0564 0.0174
Trypanosoma cruzi PAB1-binding protein , putative 0.0053 0.1686 0.5
Brugia malayi RNA recognition motif domain containing protein 0.0132 0.5221 0.5221
Echinococcus granulosus Basic leucine zipper bZIP transcription 0.0035 0.0899 0.0522
Echinococcus granulosus lamin 0.0027 0.0564 0.0174
Brugia malayi intermediate filament protein 0.0027 0.0564 0.0564
Toxoplasma gondii aldehyde dehydrogenase 0.0124 0.4857 1
Brugia malayi Iron-sulfur cluster assembly accessory protein 0.0049 0.1522 0.1522

Activities

No activities found for this compound.

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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