Detailed information for compound 1644809

Basic information

Technical information
  • TDR Targets ID: 1644809
  • Name: [(3R,5R,6S,7R,8E,10R,11R,12Z,14E)-10-carbamoy loxy-5,11-dimethoxy-3,7,9,15-tetramethyl-16,2 0,22-trioxo-21-propylamino-17-azabicyclo[16.3 .1]docosa-1(21),8,12,14,18-pentaen-6-yl] 4-am inobutanoate
  • MW: 672.809 | Formula: C35H52N4O9
  • H donors: 4 H acceptors: 5 LogP: 2.82 Rotable bonds: 12
    Rule of 5 violations (Lipinski): 2
  • SMILES: NCCCC(=O)O[C@@H]1[C@H](OC)C[C@H](C)CC2=C(NCCC)C(=O)C=C(C2=O)NC(=O)/C(=C/C=C\[C@H]([C@@H](/C(=C/[C@H]1C)/C)OC(=O)N)OC)/C
  • InChi: 1S/C35H52N4O9/c1-8-15-38-30-24-16-20(2)17-28(46-7)33(47-29(41)13-10-14-36)23(5)18-22(4)32(48-35(37)44)27(45-6)12-9-11-21(3)34(43)39-25(31(24)42)19-26(30)40/h9,11-12,18-20,23,27-28,32-33,38H,8,10,13-17,36H2,1-7H3,(H2,37,44)(H,39,43)/b12-9-,21-11+,22-18+/t20-,23-,27-,28-,32-,33+/m1/s1
  • InChiKey: NSJHIHVDBZBZBW-CAQRCHCXSA-N  


Substructure search Similarity search

Network

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Synonyms

  • 4-aminobutanoic acid [(3R,5R,6S,7R,8E,10R,11R,12Z,14E)-10-carbamoyloxy-5,11-dimethoxy-3,7,9,15-tetramethyl-16,20,22-trioxo-21-propylamino-17-azabicyclo[16.3.1]docosa-1(21),8,12,14,18-pentaen-6-yl] ester
  • 4-aminobutyric acid [(3R,5R,6S,7R,8E,10R,11R,12Z,14E)-10-carbamoyloxy-16,20,22-triketo-5,11-dimethoxy-3,7,9,15-tetramethyl-21-propylamino-17-azabicyclo[16.3.1]docosa-1(21),8,12,14,18-pentaen-6-yl] ester
  • [(3R,5R,6S,7R,8E,10R,11R,12Z,14E)-10-aminocarbonyloxy-5,11-dimethoxy-3,7,9,15-tetramethyl-16,20,22-trioxo-21-propylamino-17-azabicyclo[16.3.1]docosa-1(21),8,12,14,18-pentaen-6-yl] 4-aminobutanoate

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 0.0056 0.0286 0.0291
Echinococcus multilocularis glucose 6 phosphate 1 dehydrogenase 0.065 0.9849 0.5
Trypanosoma brucei glucose-6-phosphate 1-dehydrogenase 0.065 0.9849 0.5
Trypanosoma cruzi glucose-6-phosphate 1-dehydrogenase, putative 0.065 0.9849 1
Trypanosoma cruzi glucose-6-phosphate 1-dehydrogenase, putative 0.0215 0.285 0.0142
Plasmodium vivax glucose-6-phosphate 1-dehydrogenase, putative 0.066 1 0.5
Treponema pallidum glucose-6-phosphate 1-dehydrogenase 0.065 0.9849 0.5
Leishmania major glucose-6-phosphate 1-dehydrogenase, putative 0.065 0.9849 0.5
Mycobacterium ulcerans glucose-6-phosphate 1-dehydrogenase 0.065 0.9849 1
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.0056 0.0286 0.0291
Chlamydia trachomatis glucose-6-phosphate 1-dehydrogenase 0.065 0.9849 0.5
Schistosoma mansoni glucose-6-phosphate 1-dehydrogenase 0.065 0.9849 1
Loa Loa (eye worm) pigment dispersing factor receptor c 0.0056 0.0286 0.0291
Echinococcus granulosus glucose 6 phosphate 1 dehydrogenase 0.065 0.9849 0.5
Trichomonas vaginalis 6-phosphogluconolactonase, putative 0.066 1 0.5
Brugia malayi Calcitonin receptor-like protein seb-1 0.0056 0.0286 0.0291
Brugia malayi glucose-6-phosphate dehydrogenase 0.065 0.9849 1
Trichomonas vaginalis glucosamine-6-phosphate isomerase, putative 0.066 1 0.5
Toxoplasma gondii glucose-6-phosphate 1-dehydrogenase 0.066 1 1
Mycobacterium tuberculosis Probable glucose-6-phosphate 1-dehydrogenase Zwf2 (G6PD) 0.0226 0.3012 0.5
Trichomonas vaginalis glucosamine-6-phosphate isomerase, putative 0.066 1 0.5
Entamoeba histolytica DNA repair and recombination protein RAD52, putative 0.0392 0.5693 1
Plasmodium falciparum glucose-6-phosphate dehydrogenase-6-phosphogluconolactonase 0.066 1 1
Loa Loa (eye worm) glucose-6-phosphate dehydrogenase 0.065 0.9849 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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