Detailed information for compound 1716437

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 269.322 | Formula: C14H11N3OS
  • H donors: 1 H acceptors: 3 LogP: 2.88 Rotable bonds: 2
    Rule of 5 violations (Lipinski): 1
  • SMILES: Oc1ccccc1c1nnc(n1c1ccccc1)S
  • InChi: 1S/C14H11N3OS/c18-12-9-5-4-8-11(12)13-15-16-14(19)17(13)10-6-2-1-3-7-10/h1-9,18H,(H,16,19)
  • InChiKey: OPECQRMMGCXRAG-UHFFFAOYSA-N  


Substructure search Similarity search

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 0.0056 0.2216 0.449
Treponema pallidum hypothetical protein 0.0021 0.0202 0.5
Brugia malayi Calcitonin receptor-like protein seb-1 0.0056 0.2216 0.449
Loa Loa (eye worm) hypothetical protein 0.0043 0.1469 0.2976
Trypanosoma cruzi CAAX prenyl protease 2, putative 0.0104 0.4935 1
Echinococcus granulosus bromodomain adjacent to zinc finger domain 0.0068 0.2857 0.2857
Giardia lamblia Hypothetical protein 0.0104 0.4935 0.5
Entamoeba histolytica CAAX prenyl protease family 0.0104 0.4935 1
Loa Loa (eye worm) bromodomain containing protein 0.002 0.0122 0.0246
Schistosoma mansoni hypothetical protein 0.0192 1 1
Plasmodium vivax protease, putative 0.0021 0.0202 1
Mycobacterium tuberculosis Probable integral membrane protein 0.0021 0.0202 1
Brugia malayi CAAX amino terminal protease family protein 0.0104 0.4935 1
Toxoplasma gondii CAAX amino terminal protease family protein 0.0021 0.0202 1
Mycobacterium ulcerans hypothetical protein 0.0021 0.0202 0.5
Schistosoma mansoni methyl-cpg binding protein mbd 0.0019 0.0082 0.0082
Trichomonas vaginalis Clan U, family U48, CaaX prenyl peptidase 2-like 0.0104 0.4935 0.5
Brugia malayi Bromodomain containing protein 0.0085 0.3853 0.7807
Loa Loa (eye worm) hypothetical protein 0.0039 0.119 0.241
Echinococcus multilocularis CAAX prenyl protease 2 0.0104 0.4935 0.4935
Loa Loa (eye worm) hypothetical protein 0.008 0.3574 0.7243
Echinococcus granulosus fetal alzheimer antigen falz 0.0026 0.0439 0.0439
Schistosoma mansoni zinc finger protein 0.0022 0.0246 0.0246
Schistosoma mansoni family U48 unassigned peptidase (U48 family) 0.0104 0.4935 0.4935
Brugia malayi latrophilin 2 splice variant baaae 0.0039 0.119 0.241
Loa Loa (eye worm) pigment dispersing factor receptor c 0.0056 0.2216 0.449
Loa Loa (eye worm) hypothetical protein 0.0048 0.1747 0.354
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0019 0.0082 0.0082
Echinococcus multilocularis methyl CpG binding domain protein 2 0.0019 0.0082 0.0082
Plasmodium falciparum protease, putative 0.0021 0.0202 1
Mycobacterium ulcerans integral membrane protein 0.0021 0.0202 0.5
Brugia malayi Bromodomain containing protein 0.0043 0.1464 0.2967
Echinococcus granulosus zinc finger protein 0.0022 0.0246 0.0246
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.0056 0.2216 0.449
Schistosoma mansoni family U48 unassigned peptidase (U48 family) 0.0104 0.4935 0.4935
Trypanosoma brucei CAAX amino terminal protease, putative 0.0104 0.4935 1
Mycobacterium tuberculosis Conserved hypothetical protein 0.0021 0.0202 1
Echinococcus multilocularis fetal alzheimer antigen, falz 0.0026 0.0439 0.0439
Schistosoma mansoni methyl-cpg binding protein mbd 0.0019 0.0082 0.0082
Loa Loa (eye worm) hypothetical protein 0.0104 0.4935 1
Schistosoma mansoni hypothetical protein 0.0192 1 1
Mycobacterium tuberculosis Probable conserved integral membrane protein 0.0021 0.0202 1
Echinococcus multilocularis histone lysine methyltransferase setb histone lysine methyltransferase eggless 0.0019 0.0082 0.0082
Echinococcus multilocularis zinc finger protein 0.0022 0.0246 0.0246
Loa Loa (eye worm) hypothetical protein 0.0046 0.1623 0.3289
Echinococcus granulosus methyl CpG binding domain protein 2 0.0019 0.0082 0.0082
Schistosoma mansoni hypothetical protein 0.0039 0.119 0.119
Trypanosoma cruzi peptidase with unknown catalytic mechanism (family U48) 0.0104 0.4935 1
Leishmania major CAAX prenyl protease 2, putative,peptidase with unknown catalytic mechanism (family U48) 0.0104 0.4935 1
Mycobacterium ulcerans hypothetical protein 0.0021 0.0202 0.5
Echinococcus granulosus bromodomain adjacent to zinc finger domain 0.0041 0.131 0.131
Echinococcus granulosus CAAX prenyl protease 2 0.0104 0.4935 0.4935
Toxoplasma gondii hypothetical protein 0.0021 0.0202 1
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0019 0.0082 0.0082
Loa Loa (eye worm) hypothetical protein 0.0019 0.0082 0.0165
Echinococcus multilocularis bromodomain adjacent to zinc finger domain 0.0041 0.131 0.131
Loa Loa (eye worm) PHD-finger family protein 0.0023 0.0315 0.0637
Echinococcus multilocularis bromodomain adjacent to zinc finger domain 0.0068 0.2857 0.2857
Echinococcus granulosus histone lysine methyltransferase setb 0.0019 0.0082 0.0082
Schistosoma mansoni hypothetical protein 0.0023 0.0315 0.0315
Chlamydia trachomatis hypothetical protein 0.0021 0.0202 0.5
Brugia malayi PHD-finger family protein 0.0028 0.0593 0.1202
Echinococcus multilocularis geminin 0.0192 1 1
Schistosoma mansoni acetyl-CoA C-acetyltransferase 0.0026 0.0439 0.0439
Toxoplasma gondii hypothetical protein 0.0021 0.0202 1
Mycobacterium tuberculosis Probable conserved integral membrane protein 0.0021 0.0202 1
Schistosoma mansoni bromodomain containing protein 0.0072 0.309 0.309

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.

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