Detailed information for compound 306171

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 359.916 | Formula: C19H22ClN3S
  • H donors: 1 H acceptors: 1 LogP: 5.05 Rotable bonds: 6
    Rule of 5 violations (Lipinski): 1
  • SMILES: CSc1ccc2c(c1)c(NCCCN(C)C)c1c(n2)cc(cc1)Cl
  • InChi: 1S/C19H22ClN3S/c1-23(2)10-4-9-21-19-15-7-5-13(20)11-18(15)22-17-8-6-14(24-3)12-16(17)19/h5-8,11-12H,4,9-10H2,1-3H3,(H,21,22)
  • InChiKey: LTDQDXFMNUDCAS-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
Schistosoma mansoni smad1 5 8 and 0.0009 0.0183 0.0716
Schistosoma mansoni smad1 5 8 and 0.0009 0.0183 0.0716
Plasmodium vivax basic transcription factor 3b, putative 0.0041 0.255 0.5
Echinococcus multilocularis smad 0.0009 0.0183 0.0716
Onchocerca volvulus 0.0007 0 0.5
Schistosoma mansoni smad1 5 8 and 0.0009 0.0183 0.0716
Schistosoma mansoni Smad4 0.0009 0.0183 0.0716
Loa Loa (eye worm) MH1 domain-containing protein 0.0009 0.0183 0.0183
Onchocerca volvulus Bile acid receptor homolog 0.0007 0 0.5
Echinococcus multilocularis transcription factor btf3 0.0041 0.255 1
Echinococcus granulosus TGF beta signal transducer SmadC 0.0009 0.0183 0.0716
Leishmania major basic transcription factor 3a, putative 0.0041 0.255 0.5
Brugia malayi Smad1 0.0009 0.0183 0.0183
Brugia malayi MH1 domain containing protein 0.0009 0.0183 0.0183
Brugia malayi MH1 domain containing protein 0.0009 0.0183 0.0183
Entamoeba histolytica transcription factor BTF3, putative 0.0041 0.255 0.5
Toxoplasma gondii NAC domain-containing protein 0.0041 0.255 0.5
Trichomonas vaginalis conserved hypothetical protein 0.0041 0.255 0.5
Onchocerca volvulus Steroid hormone receptor family member cnr14 homolog 0.0007 0 0.5
Trypanosoma cruzi transcription factor btf3, putative 0.0041 0.255 0.5
Echinococcus granulosus smad 0.0009 0.0183 0.0716
Loa Loa (eye worm) MH2 domain-containing protein 0.0139 1 1
Plasmodium falciparum basic transcription factor 3b, putative 0.0041 0.255 0.5
Trichomonas vaginalis conserved hypothetical protein 0.0041 0.255 0.5
Trypanosoma cruzi transcription factor btf3, putative 0.0041 0.255 0.5
Entamoeba histolytica hypothetical protein 0.0041 0.255 0.5
Echinococcus multilocularis Smad4 0.0009 0.0183 0.0716
Trypanosoma brucei transcription factor BTF3, putative 0.0041 0.255 0.5
Brugia malayi MH2 domain containing protein 0.0009 0.0183 0.0183
Trichomonas vaginalis conserved hypothetical protein 0.0041 0.255 0.5
Echinococcus multilocularis mothers against decapentaplegic 5 0.0009 0.0183 0.0716
Echinococcus granulosus mothers against decapentaplegic 5 0.0009 0.0183 0.0716
Schistosoma mansoni transcription factor btf3 0.0041 0.255 1
Loa Loa (eye worm) ICD-1 protein 0.0041 0.255 0.255
Loa Loa (eye worm) MH2 domain-containing protein 0.0009 0.0183 0.0183
Echinococcus granulosus Smad4 0.0009 0.0183 0.0716
Loa Loa (eye worm) Smad1 0.0009 0.0183 0.0183
Echinococcus multilocularis TGF beta signal transducer SmadC 0.0009 0.0183 0.0716
Brugia malayi beta-NAC-like protein 0.0041 0.255 0.255
Schistosoma mansoni TGF-beta signal transducer Smad2 0.0009 0.0183 0.0716
Loa Loa (eye worm) transcription factor SMAD2 0.0139 1 1
Schistosoma mansoni smad 0.0009 0.0183 0.0716
Onchocerca volvulus Protein ultraspiracle homolog 0.0007 0 0.5
Brugia malayi MH2 domain containing protein 0.0009 0.0183 0.0183
Echinococcus granulosus transcription factor btf3 0.0041 0.255 1

Activities

Activity type Activity value Assay description Source Reference
K app (functional) = 0.00002 Binding constant of the compound were determined from viscometric titrations with calf thymus DNA ChEMBL. 4009616

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.