Detailed information for compound 15551

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 312.257 | Formula: C15H15Cl2NS
  • H donors: 0 H acceptors: 0 LogP: 4.62 Rotable bonds: 1
    Rule of 5 violations (Lipinski): 1
  • SMILES: CN1Cc2sc(cc2C(C1)c1c(Cl)cccc1Cl)C
  • InChi: 1S/C15H15Cl2NS/c1-9-6-10-11(7-18(2)8-14(10)19-9)15-12(16)4-3-5-13(15)17/h3-6,11H,7-8H2,1-2H3
  • InChiKey: YVHAJKZTWQGJIP-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
Trichomonas vaginalis 3-hydroxy-3-methylglutaryl-coenzyme A reductase, putative 0.019 0.1062 1
Echinococcus granulosus hydroxymethylglutaryl coenzyme A reductase 0.0406 0.2897 0.4947
Echinococcus granulosus tyrosine protein phosphatase non receptor type 0.0753 0.5856 1
Onchocerca volvulus 0.0066 0 0.5
Loa Loa (eye worm) angiotensin-converting enzyme family protein 0.124 1 1
Onchocerca volvulus Peroxidasin homolog 0.0066 0 0.5
Trypanosoma cruzi 3-hydroxy-3-methylglutaryl-CoA reductase 0.0406 0.2897 0.5
Echinococcus multilocularis hydroxymethylglutaryl coenzyme A reductase 0.0406 0.2897 0.4947
Onchocerca volvulus Peroxidase homolog 0.0066 0 0.5
Giardia lamblia 3-hydroxy-3-methylglutaryl-coenzyme A reductase 0.019 0.1062 0.5
Onchocerca volvulus Chorion peroxidase homolog 0.0066 0 0.5
Onchocerca volvulus 0.0066 0 0.5
Schistosoma mansoni patched 1 0.0167 0.0864 0.0875
Echinococcus multilocularis protein dispatched 1 0.0167 0.0864 0.1476
Trichomonas vaginalis 3-hydroxy-3-methylglutaryl-coenzyme A reductase, putative 0.019 0.1062 1
Schistosoma mansoni niemann-pick C1 (NPC1) 0.0167 0.0864 0.0875
Echinococcus granulosus sterol regulatory element binding protein 0.0167 0.0864 0.1476
Leishmania major 3-hydroxy-3-methylglutaryl-CoA reductase 0.0406 0.2897 0.5
Onchocerca volvulus Dual oxidase homolog 0.0066 0 0.5
Echinococcus multilocularis tyrosine protein phosphatase non receptor type 0.0753 0.5856 1
Schistosoma mansoni family A2 unassigned peptidase (A02 family) 0.0223 0.1339 0.1356
Onchocerca volvulus 0.0066 0 0.5
Onchocerca volvulus Peroxidase homolog 0.0066 0 0.5
Echinococcus granulosus Niemann Pick C1 protein 0.0167 0.0864 0.1476
Loa Loa (eye worm) abnormal chemotaxis protein 14 0.0167 0.0864 0.0864
Mycobacterium ulcerans hydroxymethylglutaryl-coenzyme a (HMG-CoA) reductase 0.0406 0.2897 0.5
Brugia malayi Hydroxymethylglutaryl-coenzyme A reductase family protein 0.0406 0.2897 0.2897
Loa Loa (eye worm) hypothetical protein 0.0406 0.2897 0.2897
Echinococcus granulosus Protein patched homolog 1 0.0167 0.0864 0.1476
Brugia malayi Protein-tyrosine phosphatase containing protein 0.0753 0.5856 0.5856
Loa Loa (eye worm) protein-tyrosine phosphatase 0.0753 0.5856 0.5856
Trypanosoma brucei 3-hydroxy-3-methylglutaryl-CoA reductase, putative 0.0406 0.2897 0.5
Loa Loa (eye worm) hypothetical protein 0.0167 0.0864 0.0864
Schistosoma mansoni intracisternal A-particle retropepsin (A02 family) 0.1225 0.9876 1
Trypanosoma cruzi 3-hydroxy-3-methylglutaryl-CoA reductase, putative 0.0406 0.2897 0.5
Schistosoma mansoni protein tyrosine phosphatase non-receptor type nt1 0.0753 0.5856 0.5929
Trichomonas vaginalis 3-hydroxy-3-methylglutaryl-coenzyme A reductase, putative 0.019 0.1062 1
Schistosoma mansoni hydroxymethylglutaryl-CoA reductase (NADPH) 0.0406 0.2897 0.2933
Echinococcus multilocularis sterol regulatory element binding protein 0.0167 0.0864 0.1476
Onchocerca volvulus Peroxidasin homolog 0.0066 0 0.5
Echinococcus multilocularis Niemann Pick C1 protein 0.0167 0.0864 0.1476
Brugia malayi CHE-14 protein 0.0167 0.0864 0.0864
Echinococcus multilocularis protein patched 0.0167 0.0864 0.1476

Activities

Activity type Activity value Assay description Source Reference
ED50 (functional) > 40 mg kg-1 Anti-tetrabenazine (TBZ) activity, ability to prevent TBZ-induced ptosis in mice ChEMBL. 6471069
IC50 (functional) > 10 uM In vitro inhibition of norepinephrine uptake in rat brain synaptosomes using [3H]-NE ChEMBL. 6471069
IC50 (functional) > 10 uM In vitro inhibition of 5-HT uptake in rat brain synaptosomes using [3H]- 5-hydroxytryptamine ChEMBL. 6471069

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

No external resources registered for this compound

Bibliographic References

1 literature reference was collected for this gene.

If you have references for this compound, please enter them in a user comment (below) or Contact us.