Detailed information for compound 1580826

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 399.401 | Formula: C19H21N5O5
  • H donors: 5 H acceptors: 6 LogP: -0.44 Rotable bonds: 4
    Rule of 5 violations (Lipinski): 1
  • SMILES: OC[C@@H]1O[C@@H]([C@H]([C@@H]1O)O)n1c(c2ccc(cc2)C)c(c2c1ncnc2N)C(=O)N
  • InChi: 1S/C19H21N5O5/c1-8-2-4-9(5-3-8)13-11(17(21)28)12-16(20)22-7-23-18(12)24(13)19-15(27)14(26)10(6-25)29-19/h2-5,7,10,14-15,19,25-27H,6H2,1H3,(H2,21,28)(H2,20,22,23)/t10-,14+,15-,19-/m0/s1
  • InChiKey: CEOVXXUUFBHAQP-XFDQDIGDSA-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
Leishmania major carnitine palmitoyltransferase-like protein 0.1079 0.1887 0.1605
Echinococcus granulosus epidermal growth factor receptor 0.0331 0.0539 0.0954
Brugia malayi Furin-like cysteine rich region family protein 0.0331 0.0539 0.041
Echinococcus granulosus insulin growth factor 1 receptor beta 0.0107 0.0135 0.0238
Brugia malayi Choline/Carnitine o-acyltransferase family protein 0.0681 0.1168 0.1048
Loa Loa (eye worm) choline/Carnitine O-acyltransferase 0.1079 0.1887 0.1887
Loa Loa (eye worm) carnitine O-palmitoyltransferase I isoform 0.0681 0.1168 0.1168
Echinococcus multilocularis epidermal growth factor receptor 0.0331 0.0539 0.0954
Echinococcus granulosus choline O acetyltransferase 0.0681 0.1168 0.2069
Loa Loa (eye worm) hypothetical protein 0.0681 0.1168 0.1168
Brugia malayi Choline/Carnitine o-acyltransferase family protein 0.1079 0.1887 0.1776
Brugia malayi Immunoglobulin I-set domain containing protein 0.0336 0.0547 0.0418
Schistosoma mansoni tyrosine kinase 0.0175 0.0257 0.1186
Onchocerca volvulus 0.0681 0.1168 1
Echinococcus granulosus melanoma receptor tyrosine protein kinase 0.0179 0.0264 0.0467
Echinococcus multilocularis choline O acetyltransferase 0.0681 0.1168 0.2069
Echinococcus multilocularis 0.0102 0.0125 0.0222
Schistosoma mansoni tyrosine kinase 0.0331 0.0539 0.3909
Loa Loa (eye worm) TK/EGFR protein kinase 0.0331 0.0539 0.0539
Loa Loa (eye worm) hypothetical protein 0.558 1 1
Echinococcus granulosus epidermal growth factor receptor 0.0179 0.0264 0.0467
Schistosoma mansoni choline o-acyltransferase 0.0681 0.1168 1
Onchocerca volvulus 0.0681 0.1168 1
Schistosoma mansoni choline o-acyltransferase 0.0681 0.1168 1
Echinococcus multilocularis insulin receptor 0.0107 0.0135 0.0238
Schistosoma mansoni tyrosine kinase 0.0175 0.0257 0.1186
Schistosoma mansoni tyrosine kinase 0.0179 0.0264 0.1251
Echinococcus granulosus carnitine O palmitoyltransferase 1 liver 0.3165 0.5647 1
Onchocerca volvulus Tyrosine kinase homolog 0.0314 0.0507 0.0239
Brugia malayi Choline O-acetyltransferase 0.0681 0.1168 0.1048
Trypanosoma cruzi choline/carnitine O-acyltransferase, putative 0.3165 0.5647 1
Echinococcus multilocularis insulin growth factor 1 receptor beta 0.0107 0.0135 0.0238
Schistosoma mansoni tyrosine kinase 0.0179 0.0264 0.1251
Echinococcus granulosus insulin receptor 0.0107 0.0135 0.0238
Echinococcus multilocularis epidermal growth factor receptor 0.0179 0.0264 0.0467
Onchocerca volvulus 0.0681 0.1168 1
Echinococcus granulosus carnitine O palmitoyltransferase 2 0.1079 0.1887 0.3341
Loa Loa (eye worm) TK/INSR protein kinase 0.0107 0.0135 0.0135
Brugia malayi Choline O-acetyltransferase 0.0681 0.1168 0.1048
Trypanosoma cruzi carnitine O-palmitoyltransferase II, putative 0.1079 0.1887 0.1605
Trypanosoma brucei carnitine O-palmitoyltransferase II, putative 0.1079 0.1887 1
Loa Loa (eye worm) choline O-acetyltransferase 0.0681 0.1168 0.1168
Loa Loa (eye worm) TK/KIN16 protein kinase 0.0336 0.0547 0.0547
Schistosoma mansoni tyrosine kinase 0.0175 0.0257 0.1186
Onchocerca volvulus 0.0681 0.1168 1
Trypanosoma cruzi choline/carnitine O-acyltransferase, putative 0.3165 0.5647 1
Leishmania major choline/Carnitine o-acyltransferase-like protein 0.3165 0.5647 1
Echinococcus multilocularis carnitine O palmitoyltransferase 2 0.1079 0.1887 0.3341
Echinococcus multilocularis carnitine O palmitoyltransferase 1, liver 0.3165 0.5647 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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