Detailed information for compound 1742894

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 409.437 | Formula: C18H27N5O6
  • H donors: 4 H acceptors: 6 LogP: -3.26 Rotable bonds: 12
    Rule of 5 violations (Lipinski): 1
  • SMILES: COC(=O)[C@@H]1CCCCN1C(=O)[C@@H](NC(=O)[C@H](CCC(=O)O)N)Cc1nc[nH]c1
  • InChi: 1S/C18H27N5O6/c1-29-18(28)14-4-2-3-7-23(14)17(27)13(8-11-9-20-10-21-11)22-16(26)12(19)5-6-15(24)25/h9-10,12-14H,2-8,19H2,1H3,(H,20,21)(H,22,26)(H,24,25)/t12-,13-,14-/m0/s1
  • InChiKey: BIGHUYISMHOYPL-IHRRRGAJSA-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
Brugia malayi Protein kinase domain containing protein 0.0056 0.0072 0.013
Loa Loa (eye worm) hypothetical protein 0.0055 0.0065 0.1101
Echinococcus granulosus ribonuclease H1 0.058 0.2527 1
Schistosoma mansoni tyrosine kinase 0.0056 0.0072 0.0033
Schistosoma mansoni tyrosine kinase 0.0086 0.0211 0.0172
Echinococcus multilocularis insulin growth factor 1 receptor beta 0.0056 0.0072 0.013
Echinococcus granulosus insulin growth factor 1 receptor beta 0.0056 0.0072 0.013
Echinococcus granulosus epidermal growth factor receptor 0.0091 0.0237 0.0793
Mycobacterium ulcerans acyl-CoA synthetase 0.0055 0.0065 1
Trypanosoma brucei hypothetical protein, conserved 0.0629 0.2757 0.2728
Brugia malayi RNase H family protein 0.058 0.2527 1
Trypanosoma brucei ingi protein (ORF1) 0.0629 0.2757 0.2728
Brugia malayi RNase H family protein 0.058 0.2527 1
Treponema pallidum ribonuclease H (rnhA) 0.058 0.2527 0.5
Echinococcus granulosus melanoma receptor tyrosine protein kinase 0.0091 0.0237 0.0793
Mycobacterium ulcerans long-chain-fatty-acid--CoA ligase 0.0055 0.0065 1
Giardia lamblia Ribonuclease H 0.058 0.2527 1
Schistosoma mansoni tyrosine kinase 0.0086 0.0211 0.0172
Brugia malayi AMP-binding enzyme family protein 0.0055 0.0065 0.01
Schistosoma mansoni tyrosine kinase 0.0056 0.0072 0.0033
Plasmodium vivax acyl-CoA synthetase, putative 0.0041 0 0.5
Loa Loa (eye worm) hypothetical protein 0.0055 0.0065 0.1101
Echinococcus multilocularis 0.005 0.0043 0.0014
Trypanosoma brucei ingi protein (ORF1) 0.0629 0.2757 0.2728
Entamoeba histolytica acyl-CoA synthetase, putative 0.0055 0.0065 0.5
Entamoeba histolytica acyl-coA synthetase, putative 0.0055 0.0065 0.5
Trypanosoma cruzi ribonuclease H1, putative 0.058 0.2527 1
Schistosoma mansoni tyrosine kinase 0.0086 0.0211 0.0172
Brugia malayi AMP-binding enzyme family protein 0.0055 0.0065 0.01
Loa Loa (eye worm) TK/EGFR protein kinase 0.0166 0.0587 1
Schistosoma mansoni phosphoglucomutase 0.058 0.2527 0.2497
Echinococcus granulosus insulin receptor 0.0056 0.0072 0.013
Entamoeba histolytica acyl-CoA synthetase, putative 0.0055 0.0065 0.5
Mycobacterium ulcerans acyl-CoA synthetase 0.0055 0.0065 1
Onchocerca volvulus Ribonuclease H1 homolog 0.058 0.2527 1
Trypanosoma brucei unspecified product 0.0629 0.2757 0.2728
Trypanosoma brucei retrotransposon hot spot protein 4 (RHS4), interrupted 0.0629 0.2757 0.2728
Mycobacterium leprae PROBABLE FATTY-ACID-CoA LIGASE FADD7 (FATTY-ACID-CoA SYNTHETASE) (FATTY-ACID-CoA SYNTHASE) 0.0055 0.0065 0.5
Toxoplasma gondii ribonuclease HI protein 0.058 0.2527 0.5
Mycobacterium ulcerans long-chain fatty-acid CoA ligase 0.0055 0.0065 1
Loa Loa (eye worm) hypothetical protein 0.0055 0.0065 0.1101
Mycobacterium ulcerans hypothetical protein 0.0055 0.0065 1
Mycobacterium leprae PROBABLE FATTY-ACID-CoA LIGASE FADD2 (FATTY-ACID-CoA SYNTHETASE) (FATTY-ACID-CoA SYNTHASE) 0.0055 0.0065 0.5
Schistosoma mansoni tyrosine kinase 0.0091 0.0237 0.0198
Trypanosoma cruzi ribonuclease H1, putative 0.058 0.2527 1
Plasmodium falciparum acyl-CoA synthetase 0.0041 0 0.5
Mycobacterium tuberculosis Possible maturase 0.0049 0.004 0.0455
Trypanosoma brucei RNA helicase, putative 0.2173 1 1
Mycobacterium ulcerans fatty-acid-CoA ligase 0.0055 0.0065 1
Mycobacterium tuberculosis Probable chain -fatty-acid-CoA ligase FadD13 (fatty-acyl-CoA synthetase) 0.0055 0.0065 0.074
Echinococcus multilocularis epidermal growth factor receptor 0.0091 0.0237 0.0793
Leishmania major ribonuclease H1, putative 0.058 0.2527 1
Loa Loa (eye worm) TK/INSR protein kinase 0.0056 0.0072 0.1229
Onchocerca volvulus 0.0055 0.0065 0.01
Echinococcus multilocularis ribonuclease H1 0.058 0.2527 1
Trypanosoma brucei ribonuclease H1 0.058 0.2527 0.2497
Schistosoma mansoni tyrosine kinase 0.0166 0.0587 0.055
Echinococcus multilocularis insulin receptor 0.0056 0.0072 0.013
Chlamydia trachomatis acylglycerophosphoethanolamine acyltransferase 0.0041 0 0.5
Brugia malayi RNase H family protein 0.058 0.2527 1
Echinococcus granulosus epidermal growth factor receptor 0.0166 0.0587 0.2202
Echinococcus multilocularis epidermal growth factor receptor 0.0166 0.0587 0.2202
Schistosoma mansoni phosphoglucomutase 0.058 0.2527 0.2497
Schistosoma mansoni phosphoglucomutase 0.058 0.2527 0.2497
Mycobacterium ulcerans long-chain-fatty-acid-CoA ligase 0.0055 0.0065 1
Brugia malayi AMP-binding enzyme family protein 0.0055 0.0065 0.01
Mycobacterium tuberculosis Possible penicillin-binding protein 0.0227 0.0874 1
Mycobacterium ulcerans acyl-CoA synthetase 0.0055 0.0065 1
Brugia malayi Furin-like cysteine rich region family protein 0.0166 0.0587 0.2202
Trichomonas vaginalis ribonuclease H1, putative 0.058 0.2527 1
Mycobacterium tuberculosis Probable fatty-acid-CoA ligase FadD2 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase) 0.0055 0.0065 0.074
Schistosoma mansoni tyrosine kinase 0.0091 0.0237 0.0198
Wolbachia endosymbiont of Brugia malayi ribonuclease HI 0.058 0.2527 0.5

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.