Detailed information for compound 758470

Basic information

Technical information
  • TDR Targets ID: 758470
  • Name: BAS 04996056
  • MW: 409.481 | Formula: C22H27N5O3
  • H donors: 1 H acceptors: 2 LogP: 1.09 Rotable bonds: 6
    Rule of 5 violations (Lipinski): 1
  • SMILES: COCCn1c(=N)c(cc2c1nc1ccc(cn1c2=O)C)C(=O)NC1CCCCC1
  • InChi: 1S/C22H27N5O3/c1-14-8-9-18-25-20-17(22(29)27(18)13-14)12-16(19(23)26(20)10-11-30-2)21(28)24-15-6-4-3-5-7-15/h8-9,12-13,15,23H,3-7,10-11H2,1-2H3,(H,24,28)
  • InChiKey: YNWTULRGRLAUQJ-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
Loa Loa (eye worm) hypothetical protein 0.0646 0.386 1
Loa Loa (eye worm) hypothetical protein 0.0109 0.0417 0.1079
Schistosoma mansoni alkaline phosphatase 0.0173 0.0823 0.2132
Mycobacterium tuberculosis POSSIBLE PARA-NITROBENZYL ESTERASE (FRAGMENT) 0.0109 0.0417 0.5
Echinococcus granulosus carboxylesterase 5A 0.0646 0.386 1
Schistosoma mansoni gliotactin 0.0109 0.0417 0.1079
Schistosoma mansoni acetylcholinesterase 0.0109 0.0417 0.1079
Mycobacterium tuberculosis POSSIBLE PARA-NITROBENZYL ESTERASE (FRAGMENT) 0.0109 0.0417 0.5
Schistosoma mansoni hypothetical protein 0.009 0.0291 0.0755
Echinococcus multilocularis BC026374 protein (S09 family) 0.0109 0.0417 0.0417
Brugia malayi Carboxylesterase family protein 0.0109 0.0417 0.1079
Brugia malayi hypothetical protein 0.047 0.2731 0.7076
Echinococcus multilocularis alkaline phosphatase 0.0173 0.0823 0.0823
Echinococcus granulosus acetylcholinesterase 0.0646 0.386 1
Echinococcus multilocularis family S9 non peptidase ue (S09 family) 0.0109 0.0417 0.0417
Echinococcus multilocularis alkaline phosphatase, intestinal, gene 2 0.0173 0.0823 0.0823
Echinococcus multilocularis acetylcholinesterase 0.0646 0.386 0.386
Loa Loa (eye worm) hypothetical protein 0.0109 0.0417 0.1079
Onchocerca volvulus 0.0109 0.0417 1
Echinococcus multilocularis acetylcholinesterase 0.0646 0.386 0.386
Echinococcus multilocularis para nitrobenzyl esterase 0.0109 0.0417 0.0417
Loa Loa (eye worm) hypothetical protein 0.0109 0.0417 0.1079
Echinococcus multilocularis intestinal type alkaline phosphatase 0.0173 0.0823 0.0823
Brugia malayi Carboxylesterase family protein 0.0646 0.386 1
Loa Loa (eye worm) hypothetical protein 0.0109 0.0417 0.1079
Schistosoma mansoni family S9 non-peptidase homologue (S09 family) 0.0109 0.0417 0.1079
Loa Loa (eye worm) pigment dispersing factor receptor c 0.0048 0.0025 0.0066
Schistosoma mansoni family S9 non-peptidase homologue (S09 family) 0.0109 0.0417 0.1079
Echinococcus granulosus para nitrobenzyl esterase 0.0109 0.0417 0.1079
Onchocerca volvulus 0.0109 0.0417 1
Echinococcus granulosus alkaline phosphatase 0.0173 0.0823 0.2132
Trichomonas vaginalis spcc417.12 protein, putative 0.0109 0.0417 0.5
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.0048 0.0025 0.0066
Echinococcus multilocularis neuroligin 0.0109 0.0417 0.0417
Echinococcus granulosus alkaline phosphatase intestinal gene 2 0.0173 0.0823 0.2132
Echinococcus multilocularis carboxylesterase 5A 0.0646 0.386 0.386
Loa Loa (eye worm) hypothetical protein 0.0109 0.0417 0.1079
Brugia malayi hypothetical protein 0.0109 0.0417 0.1079
Loa Loa (eye worm) hypothetical protein 0.0109 0.0417 0.1079
Loa Loa (eye worm) acetylcholinesterase 1 0.0646 0.386 1
Mycobacterium tuberculosis Carboxylesterase LipT 0.0109 0.0417 0.5
Loa Loa (eye worm) carboxylesterase 0.0109 0.0417 0.1079
Brugia malayi Carboxylesterase family protein 0.0109 0.0417 0.1079
Trichomonas vaginalis carboxylesterase domain containing protein, putative 0.0109 0.0417 0.5
Schistosoma mansoni BC026374 protein (S09 family) 0.0109 0.0417 0.1079
Schistosoma mansoni survival motor neuron protein 0.0096 0.0331 0.0858
Loa Loa (eye worm) carboxylesterase 0.0646 0.386 1
Onchocerca volvulus 0.0109 0.0417 1
Loa Loa (eye worm) hypothetical protein 0.0109 0.0417 0.1079
Echinococcus multilocularis survival motor neuron protein 1 0.047 0.2731 0.2731
Brugia malayi Carboxylesterase family protein 0.0646 0.386 1
Echinococcus granulosus BC026374 protein S09 family 0.0109 0.0417 0.1079
Onchocerca volvulus 0.0109 0.0417 1
Echinococcus granulosus acetylcholinesterase 0.0646 0.386 1
Echinococcus granulosus survival motor neuron protein 1 0.047 0.2731 0.7076
Schistosoma mansoni alkaline phosphatase 0.0173 0.0823 0.2132
Loa Loa (eye worm) hypothetical protein 0.047 0.2731 0.7076
Echinococcus granulosus neuroligin 0.0109 0.0417 0.1079
Schistosoma mansoni neuroligin 3 (S09 family) 0.0109 0.0417 0.1079
Loa Loa (eye worm) hypothetical protein 0.0048 0.0025 0.0066
Schistosoma mansoni family S9 non-peptidase homologue (S09 family) 0.0109 0.0417 0.1079
Brugia malayi Calcitonin receptor-like protein seb-1 0.0048 0.0025 0.0066
Loa Loa (eye worm) carboxylesterase 0.0109 0.0417 0.1079
Brugia malayi Iron-sulfur cluster assembly accessory protein 0.0096 0.0331 0.0858
Mycobacterium ulcerans carboxylesterase, LipT 0.0109 0.0417 0.5
Schistosoma mansoni hypothetical protein 0.0096 0.0331 0.0858
Brugia malayi Carboxylesterase family protein 0.0109 0.0417 0.1079
Schistosoma mansoni family S9 non-peptidase homologue (S09 family) 0.0646 0.386 1
Echinococcus multilocularis intestinal type alkaline phosphatase 1 0.0173 0.0823 0.0823
Brugia malayi Carboxylesterase family protein 0.0109 0.0417 0.1079
Echinococcus granulosus intestinal type alkaline phosphatase 0.0173 0.0823 0.2132
Loa Loa (eye worm) hypothetical protein 0.0646 0.386 1
Echinococcus granulosus intestinal type alkaline phosphatase 1 0.0173 0.0823 0.2132
Echinococcus granulosus family S9 non peptidase ue S09 family 0.0109 0.0417 0.1079
Onchocerca volvulus 0.0109 0.0417 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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