Detailed information for compound 158722

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 221.322 | Formula: C11H15N3S
  • H donors: 0 H acceptors: 0 LogP: 1.99 Rotable bonds: 3
    Rule of 5 violations (Lipinski): 1
  • SMILES: CN(CCn1c(=N)sc2c1cccc2)C
  • InChi: 1S/C11H15N3S/c1-13(2)7-8-14-9-5-3-4-6-10(9)15-11(14)12/h3-6,12H,7-8H2,1-2H3
  • InChiKey: QJLBODQBASMKJQ-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
Mycobacterium tuberculosis Probable dehydrogenase 0.0083 0.2121 0.8342
Loa Loa (eye worm) hypothetical protein 0.0032 0.0266 0.0323
Loa Loa (eye worm) hypothetical protein 0.0032 0.0266 0.0323
Loa Loa (eye worm) glutathione reductase 0.0037 0.0437 0.053
Loa Loa (eye worm) nuclear hormone receptor-like 1 0.0254 0.8249 1
Brugia malayi Nuclear hormone receptor family member nhr-25 0.0032 0.0266 0.0303
Schistosoma mansoni transcription factor LCR-F1 0.0041 0.0608 0.0351
Loa Loa (eye worm) hypothetical protein 0.0032 0.0266 0.0323
Trypanosoma brucei trypanothione reductase 0.0037 0.0437 0.5
Loa Loa (eye worm) hypothetical protein 0.0032 0.0266 0.0323
Entamoeba histolytica hypothetical protein 0.0041 0.0608 0.5
Mycobacterium tuberculosis Probable NADH dehydrogenase Ndh 0.0083 0.2121 0.8342
Loa Loa (eye worm) nuclear hormone receptor family member nhr-14 0.0032 0.0266 0.0323
Loa Loa (eye worm) nuclear hormone receptor family member nhr-41 0.0032 0.0266 0.0323
Mycobacterium tuberculosis Probable reductase 0.0083 0.2121 0.8342
Loa Loa (eye worm) nuclear hormone receptor family member nhr-40 0.0032 0.0266 0.0323
Loa Loa (eye worm) thioredoxin reductase 0.0037 0.0437 0.053
Brugia malayi Nuclear hormone receptor-like 1 0.0254 0.8249 0.9387
Onchocerca volvulus Steroid hormone receptor family member cnr14 homolog 0.0032 0.0266 0.5
Brugia malayi nuclear receptor NHR-88 0.0032 0.0266 0.0303
Onchocerca volvulus Protein ultraspiracle homolog 0.0032 0.0266 0.5
Entamoeba histolytica hypothetical protein 0.0041 0.0608 0.5
Schistosoma mansoni hypothetical protein 0.0271 0.8857 0.8826
Echinococcus granulosus Basic leucine zipper bZIP transcription 0.0041 0.0608 0.0397
Mycobacterium tuberculosis Dihydrolipoamide dehydrogenase LpdC (lipoamide reductase (NADH)) (lipoyl dehydrogenase) (dihydrolipoyl dehydrogenase) (diaphoras 0.0093 0.2455 1
Mycobacterium tuberculosis Probable membrane NADH dehydrogenase NdhA 0.0083 0.2121 0.8342
Leishmania major trypanothione reductase 0.0037 0.0437 0.5
Echinococcus granulosus thioredoxin glutathione reductase 0.0037 0.0455 0.022
Brugia malayi nuclear hormone receptor 0.0032 0.0266 0.0303
Loa Loa (eye worm) nuclear hormone receptor family member nhr-1 0.0032 0.0266 0.0323
Brugia malayi Ligand-binding domain of nuclear hormone receptor family protein 0.0032 0.0266 0.0303
Plasmodium falciparum thioredoxin reductase 0.0037 0.0437 0.5
Mycobacterium leprae DIHYDROLIPOAMIDE DEHYDROGENASE LPD (LIPOAMIDE REDUCTASE (NADH)) (LIPOYL DEHYDROGENASE) (DIHYDROLIPOYL DEHYDROGENASE) (DIAPHORASE 0.0093 0.2455 1
Brugia malayi hypothetical protein 0.0041 0.0608 0.0691
Brugia malayi ecdysteroid receptor 0.0032 0.0266 0.0303
Brugia malayi Nuclear hormone receptor family member nhr-3 0.0032 0.0266 0.0303
Brugia malayi Nuclear hormone receptor family member nhr-49 0.0032 0.0266 0.0303
Loa Loa (eye worm) hypothetical protein 0.0032 0.0266 0.0323
Onchocerca volvulus 0.0032 0.0266 0.5
Brugia malayi Nuclear hormone receptor family member nhr-40 0.0032 0.0266 0.0303
Mycobacterium tuberculosis Probable oxidoreductase 0.0093 0.2455 1
Brugia malayi Nuclear hormone receptor family member nhr-14 0.0032 0.0266 0.0303
Brugia malayi Nuclear hormone receptor family member nhr-19 0.0032 0.0266 0.0303
Toxoplasma gondii thioredoxin reductase 0.0037 0.0437 0.5
Loa Loa (eye worm) hypothetical protein 0.0032 0.0266 0.0323
Schistosoma mansoni hypothetical protein 0.0041 0.0608 0.0351
Schistosoma mansoni thyroid hormone receptor 0.0302 1 1
Loa Loa (eye worm) nuclear hormone receptor family member nhr-31 0.0032 0.0266 0.0323
Brugia malayi Nuclear hormone receptor-like 1 0.0269 0.8788 1
Brugia malayi Nuclear hormone receptor family member nhr-31 0.0032 0.0266 0.0303
Echinococcus granulosus Mitotic checkpoint protein PRCC C terminal 0.0271 0.8857 1
Plasmodium vivax glutathione reductase, putative 0.0037 0.0437 0.5
Entamoeba histolytica hypothetical protein 0.0041 0.0608 0.5
Brugia malayi Nuclear hormone receptor family member nhr-41 0.0032 0.0266 0.0303
Onchocerca volvulus Bile acid receptor homolog 0.0032 0.0266 0.5
Loa Loa (eye worm) hypothetical protein 0.0032 0.0266 0.0323
Mycobacterium tuberculosis Putative ferredoxin reductase 0.0083 0.2121 0.8342
Loa Loa (eye worm) hypothetical protein 0.0032 0.0266 0.0323
Plasmodium falciparum glutathione reductase 0.0037 0.0437 0.5
Loa Loa (eye worm) nuclear hormone receptor family member nhr-49 0.0032 0.0266 0.0323
Brugia malayi glutathione reductase 0.0037 0.0437 0.0498
Brugia malayi Nuclear hormone receptor family member nhr-25 0.0032 0.0266 0.0303
Echinococcus multilocularis Mitotic checkpoint protein PRCC, C terminal 0.0271 0.8857 0.8826
Trypanosoma cruzi trypanothione reductase, putative 0.0037 0.0437 0.5
Echinococcus multilocularis Basic leucine zipper (bZIP) transcription 0.0041 0.0608 0.0351
Loa Loa (eye worm) nuclear Hormone Receptor family member 0.0032 0.0266 0.0323
Schistosoma mansoni thyroid hormone receptor 0.0302 1 1
Mycobacterium tuberculosis NAD(P)H quinone reductase LpdA 0.0093 0.2455 1
Brugia malayi Ligand-binding domain of nuclear hormone receptor family protein 0.0032 0.0266 0.0303
Brugia malayi photoreceptor-specific nuclear receptor 0.0032 0.0266 0.0303
Brugia malayi Nuclear hormone receptor-like 1 0.0254 0.8249 0.9387
Entamoeba histolytica hypothetical protein 0.0041 0.0608 0.5
Brugia malayi Steroid receptor seven-up type 2 0.0032 0.0266 0.0303
Brugia malayi Nuclear hormone receptor family member nhr-19 0.0032 0.0266 0.0303
Brugia malayi Thioredoxin reductase 0.0037 0.0437 0.0498
Loa Loa (eye worm) steroid hormone receptor 0.0032 0.0266 0.0323
Echinococcus multilocularis thioredoxin glutathione reductase 0.0037 0.0455 0.0194
Loa Loa (eye worm) hypothetical protein 0.0252 0.8184 0.9922
Brugia malayi steroid hormone receptor 0.0032 0.0266 0.0303
Mycobacterium tuberculosis Probable nitrite reductase [NAD(P)H] large subunit [FAD flavoprotein] NirB 0.0083 0.2121 0.8342
Plasmodium vivax thioredoxin reductase, putative 0.0037 0.0437 0.5
Brugia malayi Nuclear hormone receptor family member nhr-1 0.0032 0.0266 0.0303

Activities

Activity type Activity value Assay description Source Reference
ED50 (functional) > 10 mg kg-1 Tested for the protection against glutamic acid-evoked convulsions in rats by intraperitoneal administration ChEMBL. 10425092

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.

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