Detailed information for compound 1740486

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 459.58 | Formula: C28H33N3O3
  • H donors: 2 H acceptors: 4 LogP: 5.21 Rotable bonds: 9
    Rule of 5 violations (Lipinski): 1
  • SMILES: Oc1ccc(cc1)C(=O)N(C(C(=O)NC(C)(C)C)c1cccnc1)c1ccc(cc1)C(C)(C)C
  • InChi: 1S/C28H33N3O3/c1-27(2,3)21-11-13-22(14-12-21)31(26(34)19-9-15-23(32)16-10-19)24(20-8-7-17-29-18-20)25(33)30-28(4,5)6/h7-18,24,32H,1-6H3,(H,30,33)
  • InChiKey: BZPWDKJFTWXFRV-UHFFFAOYSA-N  

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
Echinococcus multilocularis neuropeptide receptor A26 0.0376 0.1455 0.1453
Loa Loa (eye worm) hypothetical protein 0.0831 0.3409 1
Brugia malayi hypothetical protein 0.0831 0.3409 1
Echinococcus multilocularis survival motor neuron protein 1 0.0192 0.0667 0.0665
Schistosoma mansoni hypothetical protein 0.0396 0.154 0.1539
Loa Loa (eye worm) hypothetical protein 0.0831 0.3409 1
Onchocerca volvulus 0.0831 0.3409 1
Onchocerca volvulus 0.0831 0.3409 1
Echinococcus granulosus Polycystic kidney disease protein 0.0396 0.154 0.1539
Brugia malayi Animal haem peroxidase family protein 0.0831 0.3409 1
Echinococcus granulosus survival motor neuron protein 1 0.0192 0.0667 0.0665
Onchocerca volvulus Peroxidasin homolog 0.0831 0.3409 1
Onchocerca volvulus 0.0396 0.154 0.4501
Brugia malayi Animal haem peroxidase family protein 0.0831 0.3409 1
Loa Loa (eye worm) hypothetical protein 0.0831 0.3409 1
Echinococcus multilocularis lipoxygenase domain containing protein 0.0396 0.154 0.1539
Onchocerca volvulus Peroxidase homolog 0.0831 0.3409 1
Plasmodium vivax multidomain scavenger receptor, putative 0.0396 0.154 0.5
Brugia malayi hypothetical protein 0.0192 0.0667 0.1956
Loa Loa (eye worm) hypothetical protein 0.0831 0.3409 1
Onchocerca volvulus 0.0831 0.3409 1
Onchocerca volvulus Chorion peroxidase homolog 0.0831 0.3409 1
Schistosoma mansoni lipoxygenase 0.1654 0.6943 0.6943
Onchocerca volvulus Dual oxidase homolog 0.0831 0.3409 1
Echinococcus multilocularis Polycystic kidney disease protein 0.0396 0.154 0.1539
Echinococcus granulosus RUN 0.0396 0.154 0.1539
Onchocerca volvulus 0.0396 0.154 0.4501
Loa Loa (eye worm) hypothetical protein 0.0396 0.154 0.4518
Brugia malayi Blistered cuticle protein 3 0.0831 0.3409 1
Brugia malayi Animal haem peroxidase family protein 0.0831 0.3409 1
Loa Loa (eye worm) hypothetical protein 0.0831 0.3409 1
Loa Loa (eye worm) animal heme peroxidase 0.0831 0.3409 1
Loa Loa (eye worm) animal heme peroxidase 0.0831 0.3409 1
Loa Loa (eye worm) hypothetical protein 0.0192 0.0667 0.1956
Echinococcus granulosus neuropeptide s receptor 0.0376 0.1455 0.1453
Loa Loa (eye worm) animal heme peroxidase 0.0831 0.3409 1
Loa Loa (eye worm) GTP-binding regulatory protein Gs alpha-S chain 0.0037 0.0002 0.0005
Brugia malayi Doublecortin family protein 0.0396 0.154 0.4518
Loa Loa (eye worm) doublecortin family protein 0.0396 0.154 0.4518
Brugia malayi GTP-binding regulatory protein Gs alpha-S chain, putative 0.0037 0.0002 0.0005
Schistosoma mansoni loxhd1 0.0396 0.154 0.1539
Schistosoma mansoni rab6-interacting 0.0396 0.154 0.1539
Echinococcus granulosus lipoxygenase domain containing protein 0.0396 0.154 0.1539
Loa Loa (eye worm) hypothetical protein 0.0831 0.3409 1
Schistosoma mansoni lipoxygenase 0.2367 1 1
Onchocerca volvulus Peroxidase homolog 0.0831 0.3409 1
Schistosoma mansoni polycystin 1-related 0.0396 0.154 0.1539
Schistosoma mansoni survival motor neuron protein 0.0039 0.001 0.0009
Schistosoma mansoni peroxidasin 0.0831 0.3409 0.3408
Echinococcus multilocularis neuropeptide s receptor 0.0376 0.1455 0.1453
Echinococcus multilocularis peroxidasin 0.0831 0.3409 0.3408
Loa Loa (eye worm) animal heme peroxidase 0.0831 0.3409 1
Brugia malayi Animal haem peroxidase family protein 0.0831 0.3409 1
Brugia malayi hypothetical protein 0.0396 0.154 0.4518
Loa Loa (eye worm) hypothetical protein 0.0831 0.3409 1
Echinococcus multilocularis RUN 0.0396 0.154 0.1539
Brugia malayi hypothetical protein 0.0396 0.154 0.4518
Echinococcus multilocularis lipoxygenase domain containing protein 0.0396 0.154 0.1539
Brugia malayi Animal haem peroxidase family protein 0.0831 0.3409 1
Loa Loa (eye worm) hypothetical protein 0.0831 0.3409 1
Echinococcus multilocularis arachidonate 5 lipoxygenase 0.2367 1 1
Brugia malayi Iron-sulfur cluster assembly accessory protein 0.0039 0.001 0.0031
Loa Loa (eye worm) hypothetical protein 0.0831 0.3409 1
Echinococcus granulosus peroxidasin 0.0831 0.3409 0.3408
Loa Loa (eye worm) hypothetical protein 0.0831 0.3409 1
Brugia malayi Peroxidasin 0.0831 0.3409 1
Plasmodium falciparum LCCL domain-containing protein 0.0396 0.154 0.5
Loa Loa (eye worm) hypothetical protein 0.0396 0.154 0.4518
Echinococcus granulosus neuropeptide receptor A26 0.0376 0.1455 0.1453
Schistosoma mansoni peroxidasin 0.0831 0.3409 0.3408
Echinococcus granulosus lipoxygenase domain containing protein 0.0396 0.154 0.1539
Schistosoma mansoni hypothetical protein 0.0039 0.001 0.0009
Onchocerca volvulus Peroxidasin homolog 0.0831 0.3409 1
Loa Loa (eye worm) blistered cuticle protein 3 0.0831 0.3409 1
Loa Loa (eye worm) hypothetical protein 0.0831 0.3409 1
Loa Loa (eye worm) hypothetical protein 0.0831 0.3409 1
Schistosoma mansoni rab6-interacting 0.0396 0.154 0.1539
Loa Loa (eye worm) hypothetical protein 0.0831 0.3409 1
Loa Loa (eye worm) hypothetical protein 0.0831 0.3409 1

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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