Detailed information for compound 1093503

Basic information

Technical information
  • TDR Targets ID: 1093503
  • Name: (2Z)-2-[(3,5-dimethyl-1H-pyrrol-2-yl)methylid ene]-3-methoxy-5-phenylpyrrole
  • MW: 278.348 | Formula: C18H18N2O
  • H donors: 1 H acceptors: 0 LogP: 3.28 Rotable bonds: 3
    Rule of 5 violations (Lipinski): 1
  • SMILES: COC1=CC(=N/C/1=C\c1[nH]c(cc1C)C)c1ccccc1
  • InChi: 1S/C18H18N2O/c1-12-9-13(2)19-15(12)10-17-18(21-3)11-16(20-17)14-7-5-4-6-8-14/h4-11,19H,1-3H3/b17-10-
  • InChiKey: FUGZIRFEUIGXBX-YVLHZVERSA-N  


Substructure search Similarity search

Network

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Synonyms

  • (2Z)-2-[(3,5-dimethyl-1H-pyrrol-2-yl)methylene]-3-methoxy-5-phenyl-pyrrole
  • (2Z)-2-[(3,5-dimethyl-1H-pyrrol-2-yl)methylene]-3-methoxy-5-phenylpyrrole
  • (2Z)-2-[(3,5-dimethyl-1H-pyrrol-2-yl)methylidene]-3-methoxy-5-phenyl-pyrrole

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) isocitrate dehydrogenase 0.0018 0.1996 0.1996
Loa Loa (eye worm) cytoplasmic intermediate filament protein 0.0016 0.1026 0.1026
Onchocerca volvulus 0.003 1 0.5
Toxoplasma gondii isocitrate dehydrogenase 0.0018 0.1996 0.5
Trypanosoma cruzi isocitrate dehydrogenase [NADP], mitochondrial precursor, putative 0.0018 0.1996 0.5
Loa Loa (eye worm) intermediate filament tail domain-containing protein 0.003 1 1
Schistosoma mansoni lamin 0.003 1 1
Leishmania major isocitrate dehydrogenase [NADP], mitochondrial precursor, putative 0.0018 0.1996 0.5
Echinococcus granulosus NADP dependent isocitrate dehydrogenase 0.0018 0.1996 0.1996
Echinococcus multilocularis lamin dm0 0.003 1 1
Onchocerca volvulus 0.003 1 0.5
Loa Loa (eye worm) hypothetical protein 0.003 0.9646 0.9646
Toxoplasma gondii isocitrate dehydrogenase 0.0018 0.1996 0.5
Echinococcus multilocularis isocitrate dehydrogenase 0.0018 0.1996 0.1996
Trypanosoma cruzi isocitrate dehydrogenase, putative 0.0018 0.1996 0.5
Loa Loa (eye worm) intermediate filament protein 0.003 1 1
Schistosoma mansoni intermediate filament proteins 0.003 1 1
Echinococcus granulosus lamin dm0 0.003 1 1
Echinococcus multilocularis NADP dependent isocitrate dehydrogenase 0.0018 0.1996 0.1996
Mycobacterium tuberculosis Probable isocitrate dehydrogenase [NADP] Icd1 (oxalosuccinate decarboxylase) (IDH) (NADP+-specific ICDH) (IDP) 0.0018 0.1996 0.5
Trypanosoma brucei isocitrate dehydrogenase, putative 0.0018 0.1996 0.5
Echinococcus multilocularis NADP dependent isocitrate dehydrogenase 0.0018 0.1996 0.1996
Brugia malayi isocitrate dehydrogenase 0.0018 0.1996 0.108
Brugia malayi Intermediate filament tail domain containing protein 0.003 1 1
Loa Loa (eye worm) hypothetical protein 0.003 1 1
Plasmodium falciparum isocitrate dehydrogenase [NADP], mitochondrial 0.0018 0.1996 0.5
Plasmodium vivax isocitrate dehydrogenase [NADP], mitochondrial, putative 0.0018 0.1996 0.5
Echinococcus multilocularis NADP dependent isocitrate dehydrogenase 0.0018 0.1996 0.1996
Echinococcus multilocularis isocitrate dehydrogenase 2 (NADP+) 0.0018 0.1996 0.1996
Echinococcus granulosus lamin 0.003 1 1
Schistosoma mansoni lamin 0.003 1 1
Echinococcus multilocularis musashi 0.003 1 1
Echinococcus multilocularis lamin 0.003 1 1
Trypanosoma brucei isocitrate dehydrogenase [NADP], mitochondrial precursor, putative 0.0018 0.1996 0.5
Echinococcus granulosus intermediate filament protein 0.003 1 1
Brugia malayi Isocitrate dehydrogenase 0.0018 0.1996 0.108

Activities

Activity type Activity value Assay description Source Reference
IC50 (functional) = 13640 nM Antimalarial activity multidrug-resistant Plasmodium falciparum Dd2 after 72 hrs by SYBR Green I based fluorescence assay ChEMBL. 21736388
IC50 (functional) = 19410 nM Antimalarial activity Plasmodium falciparum D6 after 72 hrs by SYBR Green I based fluorescence assay ChEMBL. 21736388

Phenotypes

Whole-cell/tissue/organism interactions

Species name Source Reference Is orphan
Plasmodium falciparum ChEMBL23 21736388

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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