Detailed information for compound 1839331

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 386.754 | Formula: C18H25BrClNO
  • H donors: 0 H acceptors: 1 LogP: 5.48 Rotable bonds: 9
    Rule of 5 violations (Lipinski): 1
  • SMILES: CCCC(/C=C/C(=O)N(Cc1ccc(cc1)Cl)CC(C)C)Br
  • InChi: 1S/C18H25BrClNO/c1-4-5-16(19)8-11-18(22)21(12-14(2)3)13-15-6-9-17(20)10-7-15/h6-11,14,16H,4-5,12-13H2,1-3H3/b11-8+
  • InChiKey: HYAOJIDNYBCYKE-DHZHZOJOSA-N  

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
Trichomonas vaginalis glucosamine-6-phosphate isomerase, putative 0.0104 0.5461 0.4879
Treponema pallidum glucose-6-phosphate 1-dehydrogenase 0.0095 0.4806 0.5
Trichomonas vaginalis CAMK family protein kinase 0.0096 0.4902 0.4247
Trichomonas vaginalis CAMK family protein kinase 0.0096 0.4902 0.4247
Trichomonas vaginalis CAMK family protein kinase 0.0096 0.4902 0.4247
Schistosoma mansoni tar DNA-binding protein 0.0065 0.2446 0.3302
Echinococcus multilocularis glucose 6 phosphate 1 dehydrogenase 0.0095 0.4806 0.9611
Loa Loa (eye worm) transcription factor SMAD2 0.0122 0.6869 0.6385
Onchocerca volvulus 0.0154 0.9372 1
Schistosoma mansoni glucose-6-phosphate 1-dehydrogenase 0.0095 0.4806 0.974
Brugia malayi glucose-6-phosphate dehydrogenase 0.0095 0.4806 0.3407
Schistosoma mansoni serine/threonine protein kinase 0.0096 0.4902 1
Giardia lamblia Glucose-6-phosphate 1-dehydrogenase 0.0104 0.5461 1
Trichomonas vaginalis CAMK family protein kinase 0.0096 0.4902 0.4247
Chlamydia trachomatis glucose-6-phosphate 1-dehydrogenase 0.0095 0.4806 0.5
Loa Loa (eye worm) glucose-6-phosphate dehydrogenase 0.0095 0.4806 0.3407
Schistosoma mansoni tar DNA-binding protein 0.0065 0.2446 0.3302
Toxoplasma gondii glucose-6-phosphate 1-dehydrogenase 0.0104 0.5461 1
Loa Loa (eye worm) PLK/PLK1 protein kinase 0.0096 0.4902 0.3545
Mycobacterium ulcerans glucose-6-phosphate 1-dehydrogenase 0.0095 0.4806 0.3295
Schistosoma mansoni tar DNA-binding protein 0.0065 0.2446 0.3302
Loa Loa (eye worm) MH2 domain-containing protein 0.0122 0.6869 0.6385
Trichomonas vaginalis glucosamine-6-phosphate isomerase, putative 0.0104 0.5461 0.4879
Brugia malayi hypothetical protein 0.0154 0.9372 1
Trichomonas vaginalis CAMK family protein kinase 0.0096 0.4902 0.4247
Trichomonas vaginalis 6-phosphogluconolactonase, putative 0.0104 0.5461 0.4879
Trypanosoma cruzi polo-like protein kinase, putative 0.0096 0.4902 0.0184
Echinococcus granulosus serine:threonine protein kinase PLK1 0.0096 0.4902 1
Loa Loa (eye worm) hypothetical protein 0.0154 0.9372 1
Leishmania major protein kinase, putative,polo-like protein kinase, putative 0.0096 0.4902 0.0184
Echinococcus multilocularis serine:threonine protein kinase PLK1 0.0096 0.4902 1
Brugia malayi MH2 domain containing protein 0.0122 0.6869 0.6385
Schistosoma mansoni tar DNA-binding protein 0.0065 0.2446 0.3302
Schistosoma mansoni tar DNA-binding protein 0.0065 0.2446 0.3302
Trypanosoma brucei polo-like protein kinase 0.0096 0.4902 0.0184
Plasmodium falciparum glucose-6-phosphate dehydrogenase-6-phosphogluconolactonase 0.0104 0.5461 0.1261
Echinococcus granulosus glucose 6 phosphate 1 dehydrogenase 0.0095 0.4806 0.9611
Brugia malayi serine/threonine-protein kinase plk-2 0.0096 0.4902 0.3545
Trichomonas vaginalis CAMK family protein kinase 0.0096 0.4902 0.4247
Trypanosoma cruzi polo-like protein kinase, putative 0.0096 0.4902 0.0184
Trichomonas vaginalis CAMK family protein kinase 0.0096 0.4902 0.4247

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.