Detailed information for compound 1920441

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 319.438 | Formula: C19H29NO3
  • H donors: 0 H acceptors: 1 LogP: 3.62 Rotable bonds: 0
    Rule of 5 violations (Lipinski): 1
  • SMILES: C[C@@H]1C[C@H]2CN3[C@@](C1)(O2)CC[C@]1([C@]23CCC[C@@]1(C)CC(=O)O2)C
  • InChi: 1S/C19H29NO3/c1-13-9-14-12-20-18(10-13,22-14)8-7-17(3)16(2)5-4-6-19(17,20)23-15(21)11-16/h13-14H,4-12H2,1-3H3/t13-,14+,16+,17-,18-,19+/m1/s1
  • InChiKey: HPQRXGNIEYOBRA-VKZBYCENSA-N  


Substructure search Similarity search

Network

Hover on a compound node to display the structore

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 tyrosine protein phosphatase non receptor type 0.0408 0.789 1
Mycobacterium tuberculosis Isocitrate lyase Icl (isocitrase) (isocitratase) 0.0507 1 1
Schistosoma mansoni tyrosine kinase 0.0068 0.0664 0.0812
Trichomonas vaginalis spcc417.12 protein, putative 0.0058 0.045 0.4459
Mycobacterium leprae Isocitrate lyase 0.0238 0.4276 0.3373
Mycobacterium tuberculosis Probable isocitrate lyase AceAb [second part] (isocitrase) (isocitratase) (Icl) 0.0507 1 1
Loa Loa (eye worm) CMGC/CDK/CDK5 protein kinase 0.0038 0.0025 0.0032
Plasmodium vivax glycogen synthase kinase 3, putative 0.0082 0.0978 0.2695
Echinococcus multilocularis glycogen synthase kinase 3 beta 0.0082 0.0978 0.1211
Echinococcus granulosus BC026374 protein S09 family 0.0058 0.045 0.054
Brugia malayi Carboxylesterase family protein 0.0058 0.045 0.054
Echinococcus granulosus acetylcholinesterase 0.0341 0.6472 0.8196
Echinococcus multilocularis 0.0039 0.0063 0.0048
Chlamydia trachomatis chorismate synthase 0.0204 0.3559 0.5
Echinococcus granulosus epidermal growth factor receptor 0.0068 0.0679 0.0832
Onchocerca volvulus 0.0082 0.0978 1
Echinococcus granulosus melanoma receptor tyrosine protein kinase 0.0068 0.0679 0.0832
Loa Loa (eye worm) hypothetical protein 0.0341 0.6472 0.8202
Loa Loa (eye worm) TK/INSR protein kinase 0.0041 0.009 0.0114
Schistosoma mansoni family S9 non-peptidase homologue (S09 family) 0.0058 0.045 0.054
Mycobacterium tuberculosis Probable isocitrate lyase AceAa [first part] (isocitrase) (isocitratase) (Icl) 0.0507 1 1
Loa Loa (eye worm) hypothetical protein 0.0058 0.045 0.057
Loa Loa (eye worm) hypothetical protein 0.0058 0.045 0.057
Brugia malayi intracellular kinase 0.0082 0.0978 0.1211
Schistosoma mansoni family S9 non-peptidase homologue (S09 family) 0.0058 0.045 0.054
Echinococcus multilocularis neuroligin 0.0058 0.045 0.054
Schistosoma mansoni tyrosine kinase 0.0068 0.0664 0.0812
Trichomonas vaginalis CMGC family protein kinase 0.0082 0.0978 1
Echinococcus granulosus protein kinase shaggy 0.0082 0.0978 0.1211
Brugia malayi Carboxylesterase family protein 0.0058 0.045 0.054
Echinococcus granulosus tyrosine protein phosphatase non receptor type 0.0408 0.789 1
Schistosoma mansoni acetylcholinesterase 0.0058 0.045 0.054
Echinococcus granulosus family S9 non peptidase ue S09 family 0.0058 0.045 0.054
Echinococcus multilocularis para nitrobenzyl esterase 0.0058 0.045 0.054
Schistosoma mansoni tyrosine kinase 0.0041 0.009 0.0083
Echinococcus multilocularis acetylcholinesterase 0.0341 0.6472 0.8196
Leishmania major glycogen synthase kinase, putative;with=GeneDB:LinJ18_V3.0270 0.0082 0.0978 1
Loa Loa (eye worm) hypothetical protein 0.0341 0.6472 0.8202
Brugia malayi Furin-like cysteine rich region family protein 0.0127 0.1932 0.2424
Echinococcus multilocularis BC026374 protein (S09 family) 0.0058 0.045 0.054
Brugia malayi Protein-tyrosine phosphatase containing protein 0.0408 0.789 1
Echinococcus granulosus glycogen synthase kinase 3 beta 0.0082 0.0978 0.1211
Echinococcus multilocularis carboxylesterase 5A 0.0341 0.6472 0.8196
Mycobacterium ulcerans isocitrate lyase AceAb 0.0507 1 1
Echinococcus granulosus epidermal growth factor receptor 0.0127 0.1932 0.2424
Trichomonas vaginalis CMGC family protein kinase 0.0082 0.0978 1
Schistosoma mansoni tyrosine kinase 0.0041 0.009 0.0083
Entamoeba histolytica protein kinase domain containing protein 0.0082 0.0978 1
Loa Loa (eye worm) CMGC/GSK protein kinase 0.0082 0.0978 0.1239
Entamoeba histolytica protein kinase, putative 0.0082 0.0978 1
Brugia malayi Carboxylesterase family protein 0.0341 0.6472 0.8196
Entamoeba histolytica protein kinase domain containing protein 0.0082 0.0978 1
Brugia malayi hypothetical protein 0.0058 0.045 0.054
Echinococcus multilocularis family S9 non peptidase ue (S09 family) 0.0058 0.045 0.054
Loa Loa (eye worm) TK/EGFR protein kinase 0.0127 0.1932 0.2448
Brugia malayi Carboxylesterase family protein 0.0341 0.6472 0.8196
Schistosoma mansoni BC026374 protein (S09 family) 0.0058 0.045 0.054
Schistosoma mansoni tyrosine kinase 0.0068 0.0679 0.0832
Echinococcus granulosus insulin receptor 0.0041 0.009 0.0083
Loa Loa (eye worm) hypothetical protein 0.0058 0.045 0.057
Echinococcus multilocularis insulin growth factor 1 receptor beta 0.0041 0.009 0.0083
Toxoplasma gondii cell-cycle-associated protein kinase GSK, putative 0.0082 0.0978 0.2695
Schistosoma mansoni protein tyrosine phosphatase non-receptor type nt1 0.0408 0.789 1
Toxoplasma gondii chorismate synthase, putative 0.0204 0.3559 1
Echinococcus granulosus para nitrobenzyl esterase 0.0058 0.045 0.054
Loa Loa (eye worm) CMGC/CDK/CDC2 protein kinase 0.0038 0.0025 0.0032
Mycobacterium ulcerans chorismate synthase 0.0204 0.3559 0.3256
Echinococcus granulosus insulin growth factor 1 receptor beta 0.0041 0.009 0.0083
Loa Loa (eye worm) carboxylesterase 0.0058 0.045 0.057
Schistosoma mansoni tyrosine kinase 0.0068 0.0664 0.0812
Echinococcus granulosus acetylcholinesterase 0.0341 0.6472 0.8196
Trypanosoma brucei protein kinase, putative 0.0082 0.0978 1
Loa Loa (eye worm) hypothetical protein 0.0058 0.045 0.057
Echinococcus granulosus carboxylesterase 5A 0.0341 0.6472 0.8196
Plasmodium vivax chorismate synthase 0.0204 0.3559 1
Echinococcus multilocularis insulin receptor 0.0041 0.009 0.0083
Plasmodium falciparum chorismate synthase 0.0204 0.3559 1
Echinococcus granulosus neuroligin 0.0058 0.045 0.054
Schistosoma mansoni family S9 non-peptidase homologue (S09 family) 0.0341 0.6472 0.8196
Brugia malayi Carboxylesterase family protein 0.0058 0.045 0.054
Schistosoma mansoni gliotactin 0.0058 0.045 0.054
Schistosoma mansoni neuroligin 3 (S09 family) 0.0058 0.045 0.054
Echinococcus multilocularis epidermal growth factor receptor 0.0127 0.1932 0.2424
Echinococcus multilocularis protein kinase shaggy 0.0082 0.0978 0.1211
Loa Loa (eye worm) CMGC/CDK/CDC2 protein kinase 0.0038 0.0025 0.0032
Trichomonas vaginalis carboxylesterase domain containing protein, putative 0.0058 0.045 0.4459
Loa Loa (eye worm) hypothetical protein 0.0058 0.045 0.057
Schistosoma mansoni family S9 non-peptidase homologue (S09 family) 0.0058 0.045 0.054
Loa Loa (eye worm) carboxylesterase 0.0341 0.6472 0.8202
Giardia lamblia Kinase, CMGC GSK 0.0082 0.0978 1
Loa Loa (eye worm) hypothetical protein 0.0058 0.045 0.057
Loa Loa (eye worm) protein-tyrosine phosphatase 0.0408 0.789 1
Giardia lamblia Kinase, CMGC GSK 0.0082 0.0978 1
Schistosoma mansoni tyrosine kinase 0.0127 0.1932 0.2424
Loa Loa (eye worm) acetylcholinesterase 1 0.0341 0.6472 0.8202
Echinococcus multilocularis epidermal growth factor receptor 0.0068 0.0679 0.0832
Brugia malayi Protein kinase domain containing protein 0.0041 0.009 0.0083
Loa Loa (eye worm) carboxylesterase 0.0058 0.045 0.057
Plasmodium falciparum glycogen synthase kinase 3 0.0082 0.0978 0.2695
Brugia malayi Carboxylesterase family protein 0.0058 0.045 0.054
Loa Loa (eye worm) hypothetical protein 0.0058 0.045 0.057
Mycobacterium ulcerans isocitrate lyase Icl 0.0507 1 1
Mycobacterium tuberculosis Probable chorismate synthase AroF (5-enolpyruvylshikimate-3-phosphate phospholyase) 0.0101 0.1362 0.0956
Echinococcus multilocularis acetylcholinesterase 0.0341 0.6472 0.8196
Loa Loa (eye worm) CMGC/GSK protein kinase 0.0082 0.0978 0.1239
Schistosoma mansoni glycogen synthase kinase 3-related (gsk3) (cmgc group III) 0.0082 0.0978 0.1211
Schistosoma mansoni tyrosine kinase 0.0068 0.0679 0.0832
Trypanosoma cruzi glycogen synthase kinase 3, putative 0.0082 0.0978 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.

If you have references for this compound, please enter them in a user comment (below) or Contact us.