Detailed information for compound 1810844

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 389.3 | Formula: C15H8F5N3O2S
  • H donors: 2 H acceptors: 2 LogP: 4.66 Rotable bonds: 6
    Rule of 5 violations (Lipinski): 1
  • SMILES: O=C(Nc1c(F)cccc1F)Nc1nc2c(s1)cc(cc2)OC(F)(F)F
  • InChi: 1S/C15H8F5N3O2S/c16-8-2-1-3-9(17)12(8)22-13(24)23-14-21-10-5-4-7(6-11(10)26-14)25-15(18,19)20/h1-6H,(H2,21,22,23,24)
  • InChiKey: CIZFBRJLMDCPIJ-UHFFFAOYSA-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
Loa Loa (eye worm) hypothetical protein 0.0112 0.0444 0.0444
Trypanosoma brucei mitogen activated protein kinase 4, putative 0.1466 1 0.5
Schistosoma mansoni vesicular amine transporter 0.0084 0.0249 0.0249
Trichomonas vaginalis CMGC family protein kinase 0.1466 1 0.5
Echinococcus granulosus twitchin 0.0119 0.0495 0.0495
Schistosoma mansoni Neurotrimin precursor (hNT) 0.0084 0.0249 0.0249
Schistosoma mansoni tyrosine kinase 0.0057 0.0054 0.0054
Loa Loa (eye worm) hypothetical protein 0.0084 0.0249 0.0249
Echinococcus multilocularis Immunoglobulin 0.0084 0.0249 0.0249
Echinococcus multilocularis mitogen activated protein kinase 0.1466 1 1
Giardia lamblia Kinase, CMGC MAPK 0.1466 1 0.5
Schistosoma mansoni cell adhesion molecule 0.0112 0.0444 0.0444
Loa Loa (eye worm) hypothetical protein 0.0084 0.0249 0.0249
Loa Loa (eye worm) hypothetical protein 0.0134 0.0596 0.0596
Loa Loa (eye worm) CAMK/MLCK protein kinase 0.0062 0.0094 0.0094
Trypanosoma cruzi mitogen activated protein kinase 4, putative 0.1466 1 0.5
Trypanosoma brucei protein kinase, putative 0.1466 1 0.5
Echinococcus granulosus neuroglian 0.0106 0.0402 0.0402
Loa Loa (eye worm) CMGC/MAPK/ERK1 protein kinase 0.1466 1 1
Echinococcus granulosus defective proboscis extension response 0.0084 0.0249 0.0249
Trypanosoma cruzi mitogen-activated protein kinase 11, putative 0.1466 1 0.5
Echinococcus multilocularis roundabout 2 0.0134 0.0596 0.0596
Leishmania major mitogen activated protein kinase, putative,map kinase, putative 0.1466 1 0.5
Echinococcus granulosus Immunoglobulin 0.0084 0.0249 0.0249
Onchocerca volvulus Basement membrane proteoglycan homolog 0.0049 0 0.5
Loa Loa (eye worm) hypothetical protein 0.0134 0.0596 0.0596
Schistosoma mansoni nephrin 0.0106 0.0402 0.0402
Trichomonas vaginalis CMGC family protein kinase 0.1466 1 0.5
Loa Loa (eye worm) TK/KIN16 protein kinase 0.012 0.0498 0.0498
Loa Loa (eye worm) hypothetical protein 0.0084 0.0249 0.0249
Echinococcus multilocularis Immunoglobulin 0.0084 0.0249 0.0249
Trypanosoma cruzi mitogen-activated protein kinase 11, putative 0.1466 1 0.5
Echinococcus granulosus mitogen activated protein kinase 3 0.1466 1 1
Echinococcus granulosus mitogen activated protein kinase 0.1466 1 1
Echinococcus granulosus roundabout 2 0.0134 0.0596 0.0596
Echinococcus granulosus neurotracting:lsamp:neurotrimin:obcam 0.0112 0.0444 0.0444
Brugia malayi Immunoglobulin I-set domain containing protein 0.012 0.0498 0.0498
Echinococcus multilocularis mitogen activated protein kinase 3 0.1466 1 1
Leishmania major mitogen activated protein kinase 4, putative;with=GeneDB:LmxM19.1440 0.1466 1 0.5
Schistosoma mansoni serine/threonine protein kinase 0.1466 1 1
Toxoplasma gondii CMGC kinase, MAPK family (ERK) MAPK-1 0.1466 1 0.5
Loa Loa (eye worm) hypothetical protein 0.0084 0.0249 0.0249
Trichomonas vaginalis CMGC family protein kinase 0.1466 1 0.5
Loa Loa (eye worm) hypothetical protein 0.0084 0.0249 0.0249
Echinococcus multilocularis neuroglian 0.0106 0.0402 0.0402
Brugia malayi Immunoglobulin I-set domain containing protein 0.0084 0.0249 0.0249
Trypanosoma cruzi mitogen activated protein kinase 2, putative 0.1466 1 0.5
Loa Loa (eye worm) hypothetical protein 0.0084 0.0249 0.0249
Brugia malayi Fibronectin type III domain containing protein 0.0084 0.0249 0.0249
Trichomonas vaginalis CMGC family protein kinase 0.1466 1 0.5
Schistosoma mansoni defective proboscis extension response (dpr)-related 0.0084 0.0249 0.0249
Brugia malayi hypothetical protein 0.0084 0.0249 0.0249
Echinococcus multilocularis basement membrane specific heparan sulfate 0.0084 0.0249 0.0249

Activities

Activity type Activity value Assay description Source Reference
Inhibition (binding) Inhibition of ubiquitin displacement on His6-tagged E2 enzyme from His6-tagged UBA1 (unknown origin) at 10 uM after 1.5 hr by SDS-PAGE analysis ChEMBL. No reference

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.