Detailed information for compound 1514270

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 567.675 | Formula: C34H37N3O5
  • H donors: 3 H acceptors: 4 LogP: 6.29 Rotable bonds: 11
    Rule of 5 violations (Lipinski): 2
  • SMILES: CCn1c(c2ccoc2)c(c2c1cc(cc2)C(=O)NC(C(=O)Nc1ccc(cc1)/C=C/C(=O)O)(C)C)C1CCCCC1
  • InChi: 1S/C34H37N3O5/c1-4-37-28-20-24(13-16-27(28)30(23-8-6-5-7-9-23)31(37)25-18-19-42-21-25)32(40)36-34(2,3)33(41)35-26-14-10-22(11-15-26)12-17-29(38)39/h10-21,23H,4-9H2,1-3H3,(H,35,41)(H,36,40)(H,38,39)/b17-12+
  • InChiKey: YOECBZVKOXPFLW-SFQUDFHCSA-N  


Substructure search Similarity search

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
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0044 0.1838 0.254
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0044 0.1838 0.2501
Entamoeba histolytica serine/threonine protein kinase, putative 0.0091 0.7238 0.5
Loa Loa (eye worm) hypothetical protein 0.0048 0.2294 0.2294
Echinococcus multilocularis lysine specific demethylase 5A 0.0034 0.068 0.0925
Schistosoma mansoni jumonji/arid domain-containing protein 0.0034 0.068 0.0939
Brugia malayi Calcitonin receptor-like protein seb-1 0.0048 0.2294 0.2294
Trichomonas vaginalis CAMK family protein kinase 0.0091 0.7238 1
Trichomonas vaginalis CAMK family protein kinase 0.0091 0.7238 1
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0044 0.1838 0.2501
Trypanosoma cruzi polo-like protein kinase, putative 0.0091 0.7238 0.5
Trichomonas vaginalis CAMK family protein kinase 0.0091 0.7238 1
Leishmania major protein kinase, putative,polo-like protein kinase, putative 0.0091 0.7238 0.5
Schistosoma mansoni kinase 0.0046 0.2089 0.2887
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0044 0.1838 0.254
Trichomonas vaginalis CAMK family protein kinase 0.0091 0.7238 1
Brugia malayi jmjC domain containing protein 0.0092 0.7351 0.7351
Loa Loa (eye worm) PLK/PLK1 protein kinase 0.0091 0.7238 0.7238
Onchocerca volvulus Serine\/threonine kinase homolog 0.0091 0.7238 1
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0044 0.1838 0.2501
Giardia lamblia Kinase, PLK 0.0091 0.7238 1
Echinococcus granulosus jumonji domain containing protein 0.0039 0.1265 0.1721
Loa Loa (eye worm) hypothetical protein 0.0048 0.2308 0.2308
Loa Loa (eye worm) GTP-binding regulatory protein Gs alpha-S chain 0.0044 0.1838 0.1838
Loa Loa (eye worm) hypothetical protein 0.0033 0.0546 0.0546
Schistosoma mansoni serine/threonine protein kinase 0.0091 0.7238 1
Trypanosoma cruzi polo-like protein kinase, putative 0.0091 0.7238 0.5
Trypanosoma brucei polo-like protein kinase 0.0091 0.7238 0.5
Brugia malayi jmjC domain containing protein 0.0034 0.068 0.068
Loa Loa (eye worm) jmjC domain-containing protein 0.0058 0.344 0.344
Schistosoma mansoni jumonji/arid domain-containing protein 0.0034 0.068 0.0939
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0044 0.1838 0.254
Echinococcus granulosus lysine specific demethylase 5A 0.0034 0.068 0.0925
Schistosoma mansoni hypothetical protein 0.0033 0.0546 0.0754
Trichomonas vaginalis CAMK family protein kinase 0.0091 0.7238 1
Echinococcus multilocularis jumonji domain containing protein 0.0039 0.1265 0.1721
Loa Loa (eye worm) jmjC domain-containing protein 0.0034 0.068 0.068
Trichomonas vaginalis CAMK family protein kinase 0.0091 0.7238 1
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0044 0.1838 0.2501
Echinococcus granulosus serine:threonine protein kinase PLK1 0.0091 0.7238 0.9845
Brugia malayi latrophilin 2 splice variant baaae 0.0033 0.0546 0.0546
Brugia malayi GTP-binding regulatory protein Gs alpha-S chain, putative 0.0044 0.1838 0.1838
Echinococcus multilocularis serine:threonine protein kinase PLK1 0.0091 0.7238 0.9845
Brugia malayi serine/threonine-protein kinase plk-2 0.0091 0.7238 0.7238
Echinococcus granulosus Transcription factor JmjC domain containing protein 0.0092 0.7351 1
Trichomonas vaginalis CAMK family protein kinase 0.0091 0.7238 1
Schistosoma mansoni jumonji domain containing protein 0.0073 0.5176 0.7152
Echinococcus multilocularis Transcription factor, JmjC domain containing protein 0.0092 0.7351 1
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.0048 0.2294 0.2294
Loa Loa (eye worm) pigment dispersing factor receptor c 0.0048 0.2294 0.2294

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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