Detailed information for compound 688033

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 402.428 | Formula: C17H18N6O4S
  • H donors: 4 H acceptors: 7 LogP: 0.34 Rotable bonds: 9
    Rule of 5 violations (Lipinski): 1
  • SMILES: OCCn1ncc2c1nc(SCC(=O)Nc1ccc(cc1)NC(=O)C)nc2O
  • InChi: 1S/C17H18N6O4S/c1-10(25)19-11-2-4-12(5-3-11)20-14(26)9-28-17-21-15-13(16(27)22-17)8-18-23(15)6-7-24/h2-5,8,24H,6-7,9H2,1H3,(H,19,25)(H,20,26)(H,21,22,27)
  • InChiKey: NXIDQGYVEJNDFU-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
Onchocerca volvulus 0.0118 0.2846 1
Echinococcus multilocularis lysosomal alpha glucosidase 0.0159 0.4609 0.5737
Chlamydia trachomatis dihydrofolate reductase 0.0237 0.8034 0.5
Echinococcus granulosus dihydrofolate reductase 0.0237 0.8034 1
Toxoplasma gondii bifunctional dihydrofolate reductase-thymidylate synthase 0.0239 0.8095 0.5
Loa Loa (eye worm) dihydrofolate reductase 0.0237 0.8034 0.8643
Mycobacterium ulcerans glutaminase 0.0266 0.9295 1
Loa Loa (eye worm) glutaminase 2 0.0266 0.9295 1
Schistosoma mansoni glutaminase 0.0266 0.9295 0.9295
Plasmodium vivax bifunctional dihydrofolate reductase-thymidylate synthase, putative 0.0239 0.8095 0.5
Echinococcus granulosus endonuclease exonuclease phosphatase 0.0183 0.5672 0.706
Brugia malayi hypothetical protein 0.0056 0.0146 0.0157
Mycobacterium tuberculosis Dihydrofolate reductase DfrA (DHFR) (tetrahydrofolate dehydrogenase) 0.0237 0.8034 1
Brugia malayi Dihydrofolate reductase 0.0237 0.8034 0.8643
Brugia malayi thymidylate synthase 0.0118 0.2846 0.3061
Echinococcus granulosus kinesin family 1 0.0211 0.6904 0.8594
Trichomonas vaginalis glutaminase, putative 0.0266 0.9295 1
Schistosoma mansoni bifunctional dihydrofolate reductase-thymidylate synthase 0.0118 0.2846 0.2846
Brugia malayi glutaminase DH11.1 0.0266 0.9295 1
Echinococcus granulosus thymidylate synthase 0.0118 0.2846 0.3542
Loa Loa (eye worm) glycosyl hydrolase family 31 protein 0.0159 0.4609 0.4959
Mycobacterium leprae DIHYDROFOLATE REDUCTASE DFRA (DHFR) (TETRAHYDROFOLATE DEHYDROGENASE) 0.0237 0.8034 1
Echinococcus multilocularis thymidylate synthase 0.0118 0.2846 0.3542
Echinococcus multilocularis kinesin family 1 0.0211 0.6904 0.8594
Leishmania major dihydrofolate reductase-thymidylate synthase 0.0239 0.8095 0.5
Loa Loa (eye worm) glutaminase 0.0266 0.9295 1
Loa Loa (eye worm) thymidylate synthase 0.0118 0.2846 0.3061
Schistosoma mansoni dihydrofolate reductase 0.0237 0.8034 0.8034
Echinococcus multilocularis lysosomal alpha glucosidase 0.0159 0.4609 0.5737
Trypanosoma brucei dihydrofolate reductase-thymidylate synthase 0.0239 0.8095 0.5
Echinococcus granulosus lysosomal alpha glucosidase 0.0159 0.4609 0.5737
Mycobacterium tuberculosis Probable thymidylate synthase ThyA (ts) (TSASE) 0.0118 0.2846 0.3423
Brugia malayi dihydrofolate reductase family protein 0.0237 0.8034 0.8643
Schistosoma mansoni alpha-glucosidase 0.0137 0.3646 0.3646
Trypanosoma cruzi dihydrofolate reductase-thymidylate synthase 0.0239 0.8095 1
Schistosoma mansoni alpha-glucosidase 0.0137 0.3646 0.3646
Echinococcus multilocularis endonuclease exonuclease phosphatase 0.0183 0.5672 0.706
Mycobacterium ulcerans dihydrofolate reductase DfrA 0.0237 0.8034 0.8044
Plasmodium falciparum bifunctional dihydrofolate reductase-thymidylate synthase 0.0239 0.8095 0.5
Schistosoma mansoni hypothetical protein 0.0184 0.5708 0.5708
Echinococcus multilocularis dihydrofolate reductase 0.0237 0.8034 1
Brugia malayi Glycosyl hydrolases family 31 protein 0.0159 0.4609 0.4959

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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