Detailed information for compound 1507653

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 268.762 | Formula: C12H13ClN2OS
  • H donors: 0 H acceptors: 1 LogP: 2.99 Rotable bonds: 4
    Rule of 5 violations (Lipinski): 1
  • SMILES: CSc1ccc(cc1)OCc1ncc(n1C)Cl
  • InChi: 1S/C12H13ClN2OS/c1-15-11(13)7-14-12(15)8-16-9-3-5-10(17-2)6-4-9/h3-7H,8H2,1-2H3
  • InChiKey: AKIMTGOIVGFIKZ-UHFFFAOYSA-N  

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
Echinococcus multilocularis insulin growth factor 1 receptor beta 0.0209 0.1889 0.1889
Loa Loa (eye worm) projectin 0.0205 0.1735 0.2783
Echinococcus multilocularis receptor type tyrosine protein phosphatase F 0.0256 0.3767 0.3767
Echinococcus granulosus Down syndrome cell adhesion molecule 0.0213 0.2032 0.2032
Echinococcus granulosus titin 0.0205 0.1735 0.1735
Echinococcus granulosus roundabout 2 0.0256 0.3767 0.3767
Brugia malayi Immunoglobulin I-set domain containing protein 0.0205 0.1735 0.2783
Echinococcus granulosus receptor type tyrosine protein phosphatase 0.0256 0.3767 0.3767
Echinococcus multilocularis receptor type tyrosine protein phosphatase 0.0256 0.3767 0.3767
Loa Loa (eye worm) immunoglobulin I-set domain-containing protein 0.0205 0.1735 0.2783
Loa Loa (eye worm) hypothetical protein 0.0256 0.3767 0.6043
Echinococcus granulosus nephrin 0.0205 0.1735 0.1735
Loa Loa (eye worm) hypothetical protein 0.0205 0.1735 0.2783
Echinococcus granulosus titin 0.0205 0.1735 0.1735
Loa Loa (eye worm) hypothetical protein 0.0208 0.184 0.2953
Brugia malayi Immunoglobulin I-set domain containing protein 0.0205 0.1735 0.2783
Schistosoma mansoni cell adhesion molecule 0.0256 0.3767 0.4557
Echinococcus granulosus twitchin 0.02 0.1543 0.1543
Brugia malayi Immunoglobulin I-set domain containing protein 0.0255 0.373 0.5983
Schistosoma mansoni serine/threonine protein kinase 0.0205 0.1735 0.2099
Echinococcus multilocularis Down syndrome cell adhesion molecule 0.0213 0.2032 0.2032
Schistosoma mansoni cell adhesion molecule 0.0205 0.1735 0.2099
Schistosoma mansoni receptor tyrosine phosphatase type r2a 0.0256 0.3767 0.4557
Schistosoma mansoni ephrin receptor 0.0209 0.1889 0.2286
Schistosoma mansoni myosin-binding protein-related 0.0205 0.1735 0.2099
Echinococcus multilocularis roundabout 2 0.0256 0.3767 0.3767
Loa Loa (eye worm) hypothetical protein 0.0205 0.1735 0.2783
Brugia malayi Immunoglobulin I-set domain containing protein 0.0318 0.6233 1
Loa Loa (eye worm) TK/KIN16 protein kinase 0.0255 0.373 0.5983
Schistosoma mansoni cell adhesion molecule 0.0256 0.3767 0.4557
Brugia malayi Immunoglobulin I-set domain containing protein 0.0205 0.1735 0.2783
Schistosoma mansoni nephrin 0.0256 0.3767 0.4557
Onchocerca volvulus 0.0205 0.1735 1
Echinococcus granulosus receptor type tyrosine protein phosphatase 0.0205 0.1735 0.1735
Echinococcus granulosus neuroglian 0.02 0.1543 0.1543
Brugia malayi Immunoglobulin I-set domain containing protein 0.0256 0.3767 0.6043
Loa Loa (eye worm) hypothetical protein 0.0318 0.6233 1
Loa Loa (eye worm) immunoglobulin I-set domain-containing protein 0.0256 0.3767 0.6043
Echinococcus multilocularis neuroglian 0.02 0.1543 0.1543
Echinococcus granulosus insulin growth factor 1 receptor beta 0.0209 0.1889 0.1889
Brugia malayi hypothetical protein 0.0318 0.6233 1
Schistosoma mansoni titin 0.0205 0.1735 0.2099
Loa Loa (eye worm) immunoglobulin I-set domain-containing protein 0.0213 0.2032 0.326
Echinococcus multilocularis receptor type tyrosine protein phosphatase 0.0256 0.3767 0.3767
Echinococcus granulosus neuroglian 0.0256 0.3767 0.3767
Echinococcus granulosus roundabout 2 0.0256 0.3767 0.3767
Brugia malayi protein unc-22 0.0205 0.1735 0.2783
Brugia malayi Immunoglobulin I-set domain containing protein 0.0205 0.1735 0.2783
Onchocerca volvulus 0.0205 0.1735 1
Brugia malayi Immunoglobulin I-set domain containing protein 0.0256 0.3767 0.6043
Loa Loa (eye worm) CAMK/MLCK protein kinase 0.0256 0.3767 0.6043
Schistosoma mansoni hemicentin 0.0205 0.1735 0.2099
Echinococcus multilocularis roundabout 2 0.0256 0.3767 0.3767
Loa Loa (eye worm) CAMK/MLCK protein kinase 0.0205 0.1735 0.2783
Echinococcus multilocularis neuroglian 0.0256 0.3767 0.3767
Echinococcus granulosus neurotracting:lsamp:neurotrimin:obcam 0.0208 0.184 0.184
Brugia malayi Fibronectin type III domain containing protein 0.0318 0.6233 1
Loa Loa (eye worm) hypothetical protein 0.0251 0.3575 0.5736
Brugia malayi Immunoglobulin I-set domain containing protein 0.0205 0.1735 0.2783
Schistosoma mansoni neuroglian 0.0256 0.3767 0.4557
Brugia malayi Immunoglobulin I-set domain containing protein 0.0205 0.1735 0.2783
Brugia malayi Immunoglobulin I-set domain containing protein 0.0205 0.1735 0.2783
Loa Loa (eye worm) hypothetical protein 0.0251 0.3575 0.5736
Echinococcus granulosus contactin 0.0256 0.3767 0.3767
Brugia malayi Immunoglobulin I-set domain containing protein 0.0256 0.3767 0.6043
Schistosoma mansoni hypothetical protein 0.0205 0.1735 0.2099
Schistosoma mansoni cell adhesion molecule 0.0369 0.8265 1
Loa Loa (eye worm) CAMK protein kinase 0.0205 0.1735 0.2783
Echinococcus multilocularis titin 0.0205 0.1735 0.1735
Schistosoma mansoni cell adhesion molecule 0.0205 0.1735 0.2099
Loa Loa (eye worm) immunoglobulin I-set domain-containing protein 0.0205 0.1735 0.2783
Onchocerca volvulus 0.0205 0.1735 1
Brugia malayi Immunoglobulin I-set domain containing protein 0.0213 0.2032 0.326
Loa Loa (eye worm) hypothetical protein 0.0318 0.6233 1
Schistosoma mansoni titin 0.0205 0.1735 0.2099
Echinococcus multilocularis contactin neuroglian septate junction protein 0.0256 0.3767 0.3767
Loa Loa (eye worm) hypothetical protein 0.0318 0.6233 1
Schistosoma mansoni nephrin 0.0362 0.7968 0.964
Echinococcus multilocularis transfer RNA-Phe 0.0205 0.1735 0.1735
Loa Loa (eye worm) immunoglobulin I-set domain-containing protein 0.0205 0.1735 0.2783

Activities

Activity type Activity value Assay description Source Reference
IC50 (functional) > 30 uM Antimicrobial activity against Trypanosoma brucei rhodesiense after 48 hrs by proliferation assay ChEMBL. 21211967

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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