Detailed information for compound 1073400

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 317.406 | Formula: C16H19N3O2S
  • H donors: 3 H acceptors: 1 LogP: 3.19 Rotable bonds: 8
    Rule of 5 violations (Lipinski): 1
  • SMILES: CCNC(=S)NNC(=O)C(Oc1ccc2c(c1)cccc2)C
  • InChi: 1S/C16H19N3O2S/c1-3-17-16(22)19-18-15(20)11(2)21-14-9-8-12-6-4-5-7-13(12)10-14/h4-11H,3H2,1-2H3,(H,18,20)(H2,17,19,22)
  • InChiKey: BWZAJYQQENQTDI-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
Loa Loa (eye worm) hypothetical protein 0.0037 0.0271 0.0675
Mycobacterium leprae PROBABLE THYMIDYLATE SYNTHASE THYA (TS) (TSASE) 0.0343 0.4011 1
Mycobacterium tuberculosis Hypothetical protein 0.0163 0.1813 0.4124
Onchocerca volvulus 0.0037 0.0271 0.0294
Trypanosoma brucei dihydrofolate reductase-thymidylate synthase 0.0343 0.4011 1
Entamoeba histolytica hypothetical protein 0.0039 0.0294 0.5
Entamoeba histolytica hypothetical protein 0.0039 0.0294 0.5
Brugia malayi beta-lactamase family protein 0.0037 0.0271 0.0675
Loa Loa (eye worm) intermediate filament tail domain-containing protein 0.0028 0.0157 0.0392
Loa Loa (eye worm) beta-lactamase 0.0037 0.0271 0.0675
Mycobacterium tuberculosis Possible penicillin-binding protein 0.0236 0.2707 0.6513
Plasmodium vivax bifunctional dihydrofolate reductase-thymidylate synthase, putative 0.0343 0.4011 1
Loa Loa (eye worm) hypothetical protein 0.0028 0.0157 0.0392
Loa Loa (eye worm) hypothetical protein 0.0037 0.0271 0.0675
Onchocerca volvulus 0.0037 0.0271 0.0294
Echinococcus granulosus geminin 0.0166 0.1842 0.4371
Brugia malayi intermediate filament protein 0.0028 0.0157 0.0392
Echinococcus multilocularis Basic leucine zipper (bZIP) transcription 0.0039 0.0294 0.0139
Trypanosoma cruzi dihydrofolate reductase-thymidylate synthase, putative 0.0163 0.1813 0.4124
Mycobacterium tuberculosis Probable thymidylate synthase ThyA (ts) (TSASE) 0.0343 0.4011 1
Entamoeba histolytica hypothetical protein 0.0039 0.0294 0.5
Echinococcus granulosus Basic leucine zipper bZIP transcription 0.0039 0.0294 0.0355
Entamoeba histolytica hypothetical protein 0.0039 0.0294 0.5
Echinococcus multilocularis thymidylate synthase 0.0343 0.4011 0.3915
Loa Loa (eye worm) beta-LACTamase domain containing family member 0.0037 0.0271 0.0675
Brugia malayi hypothetical protein 0.0039 0.0294 0.0733
Onchocerca volvulus 0.0037 0.0271 0.0294
Onchocerca volvulus 0.0343 0.4011 1
Brugia malayi beta-lactamase family protein 0.0037 0.0271 0.0675
Loa Loa (eye worm) hypothetical protein 0.0037 0.0271 0.0675
Trichomonas vaginalis conserved hypothetical protein 0.0163 0.1813 1
Brugia malayi Hypothetical 52.5 kDa protein ZK945.1 in chromosome II, putative 0.0037 0.0271 0.0675
Brugia malayi Intermediate filament tail domain containing protein 0.0028 0.0157 0.0392
Mycobacterium ulcerans thymidylate synthase 0.0343 0.4011 1
Brugia malayi hypothetical protein 0.0163 0.1813 0.452
Schistosoma mansoni hypothetical protein 0.0039 0.0294 0.0355
Schistosoma mansoni bifunctional dihydrofolate reductase-thymidylate synthase 0.0343 0.4011 1
Schistosoma mansoni hypothetical protein 0.0166 0.1842 0.4371
Toxoplasma gondii bifunctional dihydrofolate reductase-thymidylate synthase 0.0343 0.4011 1
Plasmodium falciparum bifunctional dihydrofolate reductase-thymidylate synthase 0.0343 0.4011 0.5
Loa Loa (eye worm) thymidylate synthase 0.0343 0.4011 1
Loa Loa (eye worm) hypothetical protein 0.0037 0.0271 0.0675
Loa Loa (eye worm) hypothetical protein 0.0037 0.0271 0.0675
Echinococcus granulosus beta LACTamase domain containing family member 0.0037 0.0271 0.0294
Brugia malayi thymidylate synthase 0.0343 0.4011 1
Loa Loa (eye worm) hypothetical protein 0.0027 0.0151 0.0377
Schistosoma mansoni hypothetical protein 0.0166 0.1842 0.4371
Schistosoma mansoni family S12 unassigned peptidase (S12 family) 0.0037 0.0271 0.0294
Echinococcus multilocularis geminin 0.0166 0.1842 0.1711
Leishmania major dihydrofolate reductase-thymidylate synthase 0.0343 0.4011 1
Schistosoma mansoni family S12 unassigned peptidase (S12 family) 0.0037 0.0271 0.0294
Brugia malayi beta-lactamase 0.0037 0.0271 0.0675
Echinococcus multilocularis beta LACTamase domain containing family member 0.0037 0.0271 0.0115
Echinococcus granulosus thymidylate synthase 0.0343 0.4011 1
Schistosoma mansoni transcription factor LCR-F1 0.0039 0.0294 0.0355
Trypanosoma cruzi dihydrofolate reductase-thymidylate synthase 0.0343 0.4011 1
Loa Loa (eye worm) intermediate filament protein 0.0028 0.0157 0.0392
Loa Loa (eye worm) hypothetical protein 0.0037 0.0271 0.0675

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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