Detailed information for compound 1711601

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 649.863 | Formula: C37H55N5O5
  • H donors: 4 H acceptors: 4 LogP: 4.57 Rotable bonds: 16
    Rule of 5 violations (Lipinski): 2
  • SMILES: OC[C@@H](N1C[C@@H](C)[C@@H](CN(CC2CCCCC2)C)Oc2c(CC1=O)cc(cc2)NC(=O)CCCCCC(=O)Nc1ccccc1N)C
  • InChi: 1S/C37H55N5O5/c1-26-22-42(27(2)25-43)37(46)21-29-20-30(18-19-33(29)47-34(26)24-41(3)23-28-12-6-4-7-13-28)39-35(44)16-8-5-9-17-36(45)40-32-15-11-10-14-31(32)38/h10-11,14-15,18-20,26-28,34,43H,4-9,12-13,16-17,21-25,38H2,1-3H3,(H,39,44)(H,40,45)/t26-,27+,34-/m1/s1
  • InChiKey: GJYWPGQZJRIMRE-HKQNKLGGSA-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 Pyruvate kinase, muscle isozyme 0.0033 0.0953 0.0249
Giardia lamblia Pyruvate kinase 0.0033 0.0953 0.5
Echinococcus multilocularis GPCR, family 2 0.0031 0.0722 0.143
Echinococcus granulosus pyruvate kinase 0.0033 0.0953 0.0533
Trypanosoma brucei pyruvate kinase 1 0.0033 0.0953 0.5
Plasmodium falciparum pyruvate kinase 0.0033 0.0953 0.5
Echinococcus multilocularis tar DNA binding protein 0.0062 0.5051 1
Loa Loa (eye worm) hypothetical protein 0.0067 0.5706 0.5371
Brugia malayi RNA binding protein 0.0062 0.5051 0.4666
Loa Loa (eye worm) pyruvate kinase 0.0033 0.0953 0.0249
Onchocerca volvulus Pyruvate kinase homolog 0.0033 0.0953 0.5
Loa Loa (eye worm) pyruvate kinase 0.0033 0.0953 0.0249
Mycobacterium leprae Probable pyruvate kinase PykA 0.0033 0.0953 0.5
Schistosoma mansoni hypothetical protein 0.0035 0.1326 0.121
Echinococcus multilocularis Basic leucine zipper (bZIP) transcription 0.0035 0.1326 0.2624
Entamoeba histolytica hypothetical protein 0.0035 0.1326 0.5
Leishmania major pyruvate kinase 0.0033 0.0953 0.5
Echinococcus multilocularis cadherin EGF LAG seven pass G type receptor 0.0031 0.0722 0.143
Loa Loa (eye worm) pigment dispersing factor receptor c 0.0098 1 1
Trypanosoma brucei pyruvate kinase 1, putative 0.0033 0.0953 0.5
Onchocerca volvulus Pyruvate kinase homolog 0.0033 0.0953 0.5
Brugia malayi RNA recognition motif domain containing protein 0.0062 0.5051 0.4666
Chlamydia trachomatis pyruvate kinase 0.0033 0.0953 0.5
Echinococcus multilocularis pyruvate kinase 0.0033 0.0953 0.1887
Loa Loa (eye worm) hypothetical protein 0.0098 1 1
Schistosoma mansoni tar DNA-binding protein 0.0062 0.5051 0.8686
Schistosoma mansoni pyruvate kinase 0.0033 0.0953 0.0463
Entamoeba histolytica hypothetical protein 0.0035 0.1326 0.5
Mycobacterium tuberculosis Probable pyruvate kinase PykA 0.0033 0.0953 0.5
Onchocerca volvulus Pyruvate kinase homolog 0.0033 0.0953 0.5
Brugia malayi TAR-binding protein 0.0062 0.5051 0.4666
Echinococcus multilocularis pyruvate kinase 0.0033 0.0953 0.1887
Loa Loa (eye worm) RNA recognition domain-containing protein domain-containing protein 0.0062 0.5051 0.4666
Schistosoma mansoni tar DNA-binding protein 0.0062 0.5051 0.8686
Brugia malayi Pyruvate kinase, M2 isozyme 0.0033 0.0953 0.0249
Brugia malayi Calcitonin receptor-like protein seb-1 0.0098 1 1
Schistosoma mansoni pyruvate kinase 0.0033 0.0953 0.0463
Schistosoma mansoni tar DNA-binding protein 0.0062 0.5051 0.8686
Brugia malayi latrophilin 2 splice variant baaae 0.0067 0.5706 0.5371
Schistosoma mansoni hypothetical protein 0.0067 0.5706 1
Loa Loa (eye worm) pyruvate kinase 0.0033 0.0953 0.0249
Toxoplasma gondii pyruvate kinase PyK1 0.0033 0.0953 0.5
Trypanosoma cruzi pyruvate kinase 2, putative 0.0033 0.0953 0.5
Trichomonas vaginalis pyruvate kinase, putative 0.0033 0.0953 0.5
Echinococcus granulosus Basic leucine zipper bZIP transcription 0.0035 0.1326 0.1393
Entamoeba histolytica hypothetical protein 0.0035 0.1326 0.5
Trichomonas vaginalis pyruvate kinase, putative 0.0033 0.0953 0.5
Loa Loa (eye worm) hypothetical protein 0.0033 0.0953 0.0249
Entamoeba histolytica hypothetical protein 0.0035 0.1326 0.5
Schistosoma mansoni tar DNA-binding protein 0.0062 0.5051 0.8686
Schistosoma mansoni transcription factor LCR-F1 0.0035 0.1326 0.121
Trypanosoma cruzi pyruvate kinase 2, putative 0.0033 0.0953 0.5
Echinococcus granulosus tar DNA binding protein 0.0062 0.5051 1
Brugia malayi hypothetical protein 0.0035 0.1326 0.065
Loa Loa (eye worm) TAR-binding protein 0.0062 0.5051 0.4666
Echinococcus multilocularis diuretic hormone 44 receptor GPRdih2 0.0031 0.0722 0.143
Leishmania major pyruvate kinase 0.0033 0.0953 0.5
Echinococcus granulosus pyruvate kinase 0.0033 0.0953 0.0533
Schistosoma mansoni tar DNA-binding protein 0.0062 0.5051 0.8686
Mycobacterium ulcerans pyruvate kinase 0.0033 0.0953 0.5
Loa Loa (eye worm) RNA binding protein 0.0062 0.5051 0.4666
Plasmodium vivax pyruvate kinase, putative 0.0033 0.0953 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.