Detailed information for compound 1472505

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 322.404 | Formula: C18H16N3OS+
  • H donors: 1 H acceptors: 1 LogP: 4 Rotable bonds: 3
    Rule of 5 violations (Lipinski): 1
  • SMILES: COc1ccc2c(c1)sc([n+]2Cc1cccc2c1nccc2)N
  • InChi: 1S/C18H15N3OS/c1-22-14-7-8-15-16(10-14)23-18(19)21(15)11-13-5-2-4-12-6-3-9-20-17(12)13/h2-10,19H,11H2,1H3/p+1
  • InChiKey: XLKKCURUKPNNEA-UHFFFAOYSA-O  


Substructure search Similarity search

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
Schistosoma mansoni hypothetical protein 0.0097 0.2228 0.3077
Mycobacterium ulcerans lipoprotein aminopeptidase LpqL 0.0037 0 0.5
Onchocerca volvulus Glutaminyl cyclase homolog 0.0232 0.7239 1
Loa Loa (eye worm) RNA binding protein 0.014 0.3814 0.3814
Trichomonas vaginalis conserved hypothetical protein 0.0037 0 0.5
Brugia malayi TAR-binding protein 0.014 0.3814 0.3814
Loa Loa (eye worm) GTP-binding regulatory protein Gs alpha-S chain 0.0146 0.4048 0.4048
Schistosoma mansoni hypothetical protein 0.0209 0.6403 0.8845
Toxoplasma gondii hypothetical protein 0.0037 0 0.5
Schistosoma mansoni tar DNA-binding protein 0.014 0.3814 0.5268
Loa Loa (eye worm) hypothetical protein 0.0097 0.2228 0.2228
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0146 0.4048 0.5593
Brugia malayi Latrophilin receptor protein 2 0.0097 0.2228 0.2228
Leishmania major DNA polymerase eta, putative 0.0041 0.0171 1
Loa Loa (eye worm) TAR-binding protein 0.014 0.3814 0.3814
Echinococcus multilocularis diuretic hormone 44 receptor GPRdih2 0.0097 0.2228 0.3077
Echinococcus granulosus glutaminyl peptide cyclotransferase 0.0232 0.7239 1
Loa Loa (eye worm) hypothetical protein 0.0209 0.6403 0.6403
Loa Loa (eye worm) hypothetical protein 0.0306 1 1
Schistosoma mansoni tar DNA-binding protein 0.014 0.3814 0.5268
Schistosoma mansoni tar DNA-binding protein 0.014 0.3814 0.5268
Loa Loa (eye worm) hypothetical protein 0.0232 0.7239 0.7239
Echinococcus granulosus GPCR family 2 0.0097 0.2228 0.3077
Mycobacterium tuberculosis Probable lipoprotein aminopeptidase LpqL 0.0037 0 0.5
Echinococcus multilocularis cadherin EGF LAG seven pass G type receptor 0.0097 0.2228 0.3077
Brugia malayi calcium-independent alpha-latrotoxin receptor 2, putative 0.0097 0.2228 0.2228
Schistosoma mansoni tar DNA-binding protein 0.014 0.3814 0.5268
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0146 0.4048 0.5593
Schistosoma mansoni hypothetical protein 0.0097 0.2228 0.3077
Trypanosoma brucei DNA polymerase eta, putative 0.0041 0.0171 1
Trichomonas vaginalis conserved hypothetical protein 0.0037 0 0.5
Schistosoma mansoni hypothetical protein 0.0097 0.2228 0.3077
Brugia malayi RNA binding protein 0.014 0.3814 0.3814
Mycobacterium ulcerans hypothetical protein 0.0037 0 0.5
Schistosoma mansoni glutaminyl cyclase (M28 family) 0.0232 0.7239 1
Trypanosoma cruzi DNA polymerase eta, putative 0.0041 0.0171 1
Brugia malayi Calcitonin receptor-like protein seb-1 0.0306 1 1
Loa Loa (eye worm) RNA recognition domain-containing protein domain-containing protein 0.014 0.3814 0.3814
Echinococcus granulosus dna polymerase eta 0.0041 0.0171 0.0236
Loa Loa (eye worm) latrophilin receptor protein 2 0.0097 0.2228 0.2228
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0146 0.4048 0.5593
Schistosoma mansoni DNA polymerase eta 0.0041 0.0171 0.0236
Brugia malayi ImpB/MucB/SamB family protein 0.0041 0.0171 0.0171
Mycobacterium tuberculosis Conserved protein 0.0037 0 0.5
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0146 0.4048 0.5593
Echinococcus multilocularis tar DNA binding protein 0.014 0.3814 0.5268
Trichomonas vaginalis conserved hypothetical protein 0.0037 0 0.5
Brugia malayi RNA recognition motif domain containing protein 0.014 0.3814 0.3814
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0146 0.4048 0.5593
Brugia malayi Peptidase family M28 containing protein 0.0232 0.7239 0.7239
Echinococcus granulosus diuretic hormone 44 receptor GPRdih2 0.0097 0.2228 0.3077
Toxoplasma gondii peptidase, M28 family protein 0.0037 0 0.5
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0146 0.4048 0.5593
Brugia malayi latrophilin 2 splice variant baaae 0.0209 0.6403 0.6403
Brugia malayi GTP-binding regulatory protein Gs alpha-S chain, putative 0.0146 0.4048 0.4048
Loa Loa (eye worm) pigment dispersing factor receptor c 0.0306 1 1
Echinococcus granulosus tar DNA binding protein 0.014 0.3814 0.5268
Schistosoma mansoni tar DNA-binding protein 0.014 0.3814 0.5268
Loa Loa (eye worm) hypothetical protein 0.0041 0.0171 0.0171
Trichomonas vaginalis Clan MH, family M28, aminopeptidase S-like metallopeptidase 0.0037 0 0.5
Echinococcus multilocularis dna polymerase eta 0.0041 0.0171 0.0236
Echinococcus multilocularis GPCR, family 2 0.0097 0.2228 0.3077
Echinococcus multilocularis glutaminyl peptide cyclotransferase 0.0232 0.7239 1
Schistosoma mansoni hypothetical protein 0.0097 0.2228 0.3077
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0146 0.4048 0.5593
Echinococcus granulosus cadherin EGF LAG seven pass G type receptor 0.0097 0.2228 0.3077

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.

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