Detailed information for compound 812322

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 452.589 | Formula: C26H36N4O3
  • H donors: 1 H acceptors: 4 LogP: 3.96 Rotable bonds: 9
    Rule of 5 violations (Lipinski): 1
  • SMILES: CC(CCn1cc(C(=O)N2CCCCC2c2cccnc2)c(=O)c(c1)C(=O)NC(C)(C)C)C
  • InChi: 1S/C26H36N4O3/c1-18(2)11-14-29-16-20(24(32)28-26(3,4)5)23(31)21(17-29)25(33)30-13-7-6-10-22(30)19-9-8-12-27-15-19/h8-9,12,15-18,22H,6-7,10-11,13-14H2,1-5H3,(H,28,32)
  • InChiKey: UGLJSNAXRUZLLL-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 dual specificity testis specific protein kinase 0.1605 0.6166 0.6166
Brugia malayi hypothetical protein 0.0438 0.1622 0.1622
Echinococcus multilocularis PDZ and LIM domain protein Zasp 0.0022 0.0003 0.0003
Onchocerca volvulus 0.0438 0.1622 1
Loa Loa (eye worm) hypothetical protein 0.0438 0.1622 0.1622
Mycobacterium tuberculosis Carboxylesterase LipT 0.0438 0.1622 0.5
Brugia malayi Carboxylesterase family protein 0.259 1 1
Loa Loa (eye worm) carboxylesterase 0.0438 0.1622 0.1622
Echinococcus multilocularis carboxylesterase 5A 0.259 1 1
Onchocerca volvulus 0.0021 0.0001 0.0005
Brugia malayi Carboxylesterase family protein 0.0438 0.1622 0.1622
Onchocerca volvulus 0.0438 0.1622 1
Loa Loa (eye worm) hypothetical protein 0.0438 0.1622 0.1622
Mycobacterium tuberculosis POSSIBLE PARA-NITROBENZYL ESTERASE (FRAGMENT) 0.0438 0.1622 0.5
Brugia malayi Carboxylesterase family protein 0.0438 0.1622 0.1622
Echinococcus granulosus Microtubule-associated serine/threonine-protein kinase 0.0021 0.0001 0.0001
Mycobacterium tuberculosis POSSIBLE PARA-NITROBENZYL ESTERASE (FRAGMENT) 0.0438 0.1622 0.5
Echinococcus multilocularis acetylcholinesterase 0.259 1 1
Schistosoma mansoni protein kinase 0.1605 0.6166 0.6166
Brugia malayi hypothetical protein 0.003 0.0036 0.0036
Echinococcus granulosus acetylcholinesterase 0.259 1 1
Schistosoma mansoni protein kinase 0.1605 0.6166 0.6166
Echinococcus granulosus dual specificity testis-specific protein kinase 0.1605 0.6166 0.6166
Brugia malayi Carboxylesterase family protein 0.0438 0.1622 0.1622
Loa Loa (eye worm) hypothetical protein 0.0438 0.1622 0.1622
Chlamydia trachomatis tail-specific protease 0.0021 0 0.5
Schistosoma mansoni MAGUK homolog 0.0021 0.0001 0.0001
Echinococcus multilocularis acetylcholinesterase 0.259 1 1
Loa Loa (eye worm) acetylcholinesterase 1 0.259 1 1
Echinococcus multilocularis PDZ and LIM domain protein Zasp 0.0022 0.0003 0.0003
Echinococcus granulosus peripheral plasma membrane protein CASK 0.0021 0.0001 0.0001
Schistosoma mansoni gliotactin 0.0438 0.1622 0.1622
Trichomonas vaginalis carboxylesterase domain containing protein, putative 0.0438 0.1622 0.5
Schistosoma mansoni protein phosphatase 1 inhibitor potentiated by protein kinase C 0.003 0.0036 0.0036
Loa Loa (eye worm) hypothetical protein 0.0438 0.1622 0.1622
Onchocerca volvulus 0.0438 0.1622 1
Loa Loa (eye worm) hypothetical protein 0.0438 0.1622 0.1622
Loa Loa (eye worm) hypothetical protein 0.259 1 1
Loa Loa (eye worm) hypothetical protein 0.0438 0.1622 0.1622
Echinococcus granulosus acetylcholinesterase 0.259 1 1
Echinococcus multilocularis para nitrobenzyl esterase 0.0438 0.1622 0.1622
Schistosoma mansoni family S9 non-peptidase homologue (S09 family) 0.0438 0.1622 0.1622
Echinococcus multilocularis neuroligin 0.0438 0.1622 0.1622
Schistosoma mansoni neuroligin 3 (S09 family) 0.0438 0.1622 0.1622
Echinococcus granulosus PKC activated phosphatase 1 inhibitor 0.003 0.0036 0.0036
Echinococcus granulosus BC026374 protein S09 family 0.0438 0.1622 0.1622
Loa Loa (eye worm) hypothetical protein 0.003 0.0036 0.0036
Echinococcus granulosus para nitrobenzyl esterase 0.0438 0.1622 0.1622
Echinococcus multilocularis family S9 non peptidase ue (S09 family) 0.0438 0.1622 0.1622
Schistosoma mansoni family S9 non-peptidase homologue (S09 family) 0.259 1 1
Echinococcus multilocularis PKC activated phosphatase 1 inhibitor 0.003 0.0036 0.0036
Loa Loa (eye worm) AGC/MAST/MAST protein kinase 0.0021 0.0001 0.0001
Echinococcus granulosus PDZ and LIM domain protein Zasp 0.0022 0.0003 0.0003
Schistosoma mansoni acetylcholinesterase 0.0438 0.1622 0.1622
Onchocerca volvulus 0.0438 0.1622 1
Echinococcus granulosus PDZ and LIM domain protein Zasp 0.0022 0.0003 0.0003
Schistosoma mansoni pdz and lim domain protein 0.0022 0.0003 0.0003
Schistosoma mansoni BC026374 protein (S09 family) 0.0438 0.1622 0.1622
Echinococcus multilocularis microtubule associated serine:threonine protein 0.0021 0.0001 0.0001
Echinococcus multilocularis peripheral plasma membrane protein CASK 0.0021 0.0001 0.0001
Mycobacterium ulcerans carboxylesterase, LipT 0.0438 0.1622 0.5
Echinococcus granulosus carboxylesterase 5A 0.259 1 1
Loa Loa (eye worm) carboxylesterase 0.259 1 1
Schistosoma mansoni family S9 non-peptidase homologue (S09 family) 0.0438 0.1622 0.1622
Onchocerca volvulus 0.0438 0.1622 1
Schistosoma mansoni family S9 non-peptidase homologue (S09 family) 0.0438 0.1622 0.1622
Echinococcus granulosus neuroligin 0.0438 0.1622 0.1622
Trichomonas vaginalis spcc417.12 protein, putative 0.0438 0.1622 0.5
Onchocerca volvulus 0.003 0.0036 0.022
Loa Loa (eye worm) carboxylesterase 0.0438 0.1622 0.1622
Brugia malayi Carboxylesterase family protein 0.0438 0.1622 0.1622
Loa Loa (eye worm) hypothetical protein 0.259 1 1
Loa Loa (eye worm) hypothetical protein 0.0438 0.1622 0.1622
Echinococcus multilocularis BC026374 protein (S09 family) 0.0438 0.1622 0.1622
Echinococcus granulosus family S9 non peptidase ue S09 family 0.0438 0.1622 0.1622
Schistosoma mansoni lim domain 0.0022 0.0003 0.0003

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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