Detailed information for compound 1614222

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 307.411 | Formula: C15H21N3O2S
  • H donors: 1 H acceptors: 2 LogP: 1.34 Rotable bonds: 7
    Rule of 5 violations (Lipinski): 1
  • SMILES: O=C1N2CCCC2C(=O)N1CCCCNCc1cccs1
  • InChi: 1S/C15H21N3O2S/c19-14-13-6-3-9-17(13)15(20)18(14)8-2-1-7-16-11-12-5-4-10-21-12/h4-5,10,13,16H,1-3,6-9,11H2
  • InChiKey: MXIMLWFPSFPCBR-UHFFFAOYSA-N  


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
Echinococcus granulosus thyroid hormone receptor alpha 0.0362 0.1479 0.4434
Brugia malayi Nuclear hormone receptor-like 1 0.0768 0.3335 1
Schistosoma mansoni nuclear receptor 0.0362 0.1479 0.1479
Brugia malayi Ligand-binding domain of nuclear hormone receptor family protein 0.0768 0.3335 1
Echinococcus multilocularis nuclear receptor subfamily 1 group D 0.0406 0.1678 0.503
Loa Loa (eye worm) hypothetical protein 0.0362 0.1479 0.4434
Loa Loa (eye worm) hypothetical protein 0.0406 0.1678 0.503
Loa Loa (eye worm) nuclear hormone receptor-like 1 0.0406 0.1678 0.503
Brugia malayi Nuclear hormone receptor family member nhr-49 0.0768 0.3335 1
Schistosoma mansoni nuclear receptor 2DBD-gamma 0.0768 0.3335 0.3335
Loa Loa (eye worm) hypothetical protein 0.0406 0.1678 0.503
Brugia malayi nuclear hormone receptor family member odr-7 0.0362 0.1479 0.4434
Brugia malayi hypothetical protein 0.0362 0.1479 0.4434
Brugia malayi Nuclear hormone receptor family member nhr-25 0.0768 0.3335 1
Echinococcus multilocularis nuclear receptor 2DBD gamma 0.0768 0.3335 1
Brugia malayi Nuclear hormone receptor family member nhr-40 0.0768 0.3335 1
Echinococcus granulosus nuclear receptor subfamily 4 group A 0.0362 0.1479 0.4434
Loa Loa (eye worm) hypothetical protein 0.0768 0.3335 1
Loa Loa (eye worm) glutathione reductase 0.004 0.0006 0.0018
Loa Loa (eye worm) hypothetical protein 0.0362 0.1479 0.4434
Brugia malayi Nuclear hormone receptor E75 0.0362 0.1479 0.4434
Onchocerca volvulus 0.0768 0.3335 1
Trypanosoma cruzi trypanothione reductase, putative 0.004 0.0006 0.5
Echinococcus granulosus Nuclear hormone receptor family member nhr 41 0.0768 0.3335 1
Plasmodium falciparum thioredoxin reductase 0.004 0.0006 0.5
Loa Loa (eye worm) nuclear hormone receptor family member nhr-49 0.0768 0.3335 1
Brugia malayi nuclear receptor RXR 0.0406 0.1678 0.503
Mycobacterium tuberculosis Probable NADH dehydrogenase Ndh 0.0092 0.0243 0.8342
Loa Loa (eye worm) hypothetical protein 0.0362 0.1479 0.4434
Mycobacterium tuberculosis Probable nitrite reductase [NAD(P)H] large subunit [FAD flavoprotein] NirB 0.0092 0.0243 0.8342
Brugia malayi steroid hormone receptor 0.0768 0.3335 1
Mycobacterium tuberculosis Dihydrolipoamide dehydrogenase LpdC (lipoamide reductase (NADH)) (lipoyl dehydrogenase) (dihydrolipoyl dehydrogenase) (diaphoras 0.0103 0.029 1
Loa Loa (eye worm) hypothetical protein 0.0362 0.1479 0.4434
Schistosoma mansoni nuclear hormone receptor nor-1/nor-2 0.0768 0.3335 0.3335
Mycobacterium tuberculosis Probable membrane NADH dehydrogenase NdhA 0.0092 0.0243 0.8342
Echinococcus multilocularis COUP TF:Svp nuclear hormone receptor 0.0768 0.3335 1
Loa Loa (eye worm) hypothetical protein 0.0362 0.1479 0.4434
Loa Loa (eye worm) nuclear hormone receptor family member nhr-40 0.0768 0.3335 1
Echinococcus multilocularis Nuclear hormone receptor HR96 0.0362 0.1479 0.4434
Echinococcus multilocularis nuclear receptor nhr 48 0.0362 0.1479 0.4434
Schistosoma mansoni nuclear hormone receptor 0.0362 0.1479 0.1479
Brugia malayi ecdysteroid receptor 0.0768 0.3335 1
Plasmodium vivax thioredoxin reductase, putative 0.004 0.0006 0.5
Loa Loa (eye worm) hypothetical protein 0.0406 0.1678 0.503
Mycobacterium tuberculosis NAD(P)H quinone reductase LpdA 0.0103 0.029 1
Brugia malayi Nuclear hormone receptor-like 1 0.0406 0.1678 0.503
Echinococcus multilocularis nuclear receptor 2DBD gamma 0.0768 0.3335 1
Mycobacterium tuberculosis Probable reductase 0.0092 0.0243 0.8342
Echinococcus granulosus Nuclear hormone receptor HR96 0.0362 0.1479 0.4434
Brugia malayi hypothetical protein 0.0406 0.1678 0.503
Echinococcus granulosus FTZ F1 nuclear receptor protein 0.0768 0.3335 1
Loa Loa (eye worm) nuclear hormone receptor family member nhr-41 0.0768 0.3335 1
Echinococcus multilocularis nuclear receptor 2DBD gamma 0.0362 0.1479 0.4434
Brugia malayi hypothetical protein 0.0406 0.1678 0.503
Echinococcus multilocularis hepatocyte nuclear factor 4 alpha 0.0768 0.3335 1
Schistosoma mansoni coup transcription factor 0.0768 0.3335 0.3335
Schistosoma mansoni photoreceptor-specific nuclear receptor related 0.0768 0.3335 0.3335
Loa Loa (eye worm) hypothetical protein 0.0768 0.3335 1
Loa Loa (eye worm) hypothetical protein 0.0362 0.1479 0.4434
Brugia malayi nuclear hormone receptor family member nhr-6 0.0362 0.1479 0.4434
Echinococcus multilocularis nuclear receptor subfamily 4 group A 0.0362 0.1479 0.4434
Loa Loa (eye worm) hypothetical protein 0.0362 0.1479 0.4434
Echinococcus granulosus thioredoxin glutathione reductase 0.004 0.0006 0.0018
Brugia malayi nuclear receptor RXR 0.0362 0.1479 0.4434
Schistosoma mansoni nuclear hormone receptor 0.0362 0.1479 0.1479
Echinococcus granulosus Nuclear hormone receptor HR96 0.0362 0.1479 0.4434
Echinococcus multilocularis Nuclear hormone receptor family member nhr 41 0.0768 0.3335 1
Loa Loa (eye worm) nuclear receptor NHR-67 0.0362 0.1479 0.4434
Loa Loa (eye worm) hypothetical protein 0.0768 0.3335 1
Brugia malayi glutathione reductase 0.004 0.0006 0.0018
Brugia malayi nuclear receptor NHR-88 0.0362 0.1479 0.4434
Schistosoma mansoni zinc finger protein 0.0362 0.1479 0.1479
Brugia malayi orphan nuclear receptor NR2E1 0.0362 0.1479 0.4434
Mycobacterium tuberculosis Probable dehydrogenase 0.0092 0.0243 0.8342
Brugia malayi Steroid receptor seven-up type 2 0.0768 0.3335 1
Brugia malayi Nuclear hormone receptor E75 0.0362 0.1479 0.4434
Echinococcus granulosus FTZ F1 alpha 0.0768 0.3335 1
Brugia malayi Nuclear hormone receptor family member nhr-19 0.0768 0.3335 1
Echinococcus multilocularis thioredoxin glutathione reductase 0.004 0.0006 0.0018
Loa Loa (eye worm) hypothetical protein 0.0768 0.3335 1
Schistosoma mansoni thyroid hormone receptor 0.0768 0.3335 0.3335
Mycobacterium tuberculosis Probable oxidoreductase 0.0103 0.029 1
Onchocerca volvulus Protein ultraspiracle homolog 0.0768 0.3335 1
Echinococcus granulosus nuclear receptor nhr 48 0.0362 0.1479 0.4434
Mycobacterium tuberculosis Putative ferredoxin reductase 0.0092 0.0243 0.8342
Brugia malayi nuclear hormone receptor 0.0768 0.3335 1
Schistosoma mansoni ecdysone-induced protein 78c (dr-78) 0.0406 0.1678 0.1678
Schistosoma mansoni thyroid hormone receptor 0.0768 0.3335 0.3335
Brugia malayi nuclear hormone receptor 0.0362 0.1479 0.4434
Loa Loa (eye worm) hypothetical protein 0.0362 0.1479 0.4434
Brugia malayi Nuclear hormone receptor family member nhr-3 0.0768 0.3335 1
Loa Loa (eye worm) hypothetical protein 0.0362 0.1479 0.4434
Brugia malayi Nuclear hormone receptor family member nhr-1 0.0768 0.3335 1
Echinococcus multilocularis FTZ F1 alpha 0.0768 0.3335 1
Schistosoma mansoni Tr4/Tr2 (homologue) 0.0768 0.3335 0.3335
Echinococcus granulosus COUP TF:Svp nuclear hormone receptor 0.0768 0.3335 1
Loa Loa (eye worm) nuclear Hormone Receptor family member 0.0768 0.3335 1
Echinococcus granulosus nuclear receptor 2DBD gamma 0.0768 0.3335 1
Schistosoma mansoni FTZ-F1 nuclear receptor-like protein 0.0768 0.3335 0.3335
Brugia malayi tailless protein 0.0362 0.1479 0.4434
Onchocerca volvulus Bile acid receptor homolog 0.0768 0.3335 1
Brugia malayi Nuclear hormone receptor family member nhr-19 0.0768 0.3335 1
Loa Loa (eye worm) hypothetical protein 0.0362 0.1479 0.4434
Schistosoma mansoni nuclear receptor nhr-48 0.0362 0.1479 0.1479
Loa Loa (eye worm) nuclear hormone receptor family member nhr-1 0.0768 0.3335 1
Schistosoma mansoni steroid hormone receptor ad4bp 0.0768 0.3335 0.3335
Loa Loa (eye worm) hypothetical protein 0.0768 0.3335 1
Echinococcus multilocularis retinoic acid receptor rxr beta a retinoic acid receptor rxr alpha a retinoic acid receptor rxr alpha 0.0362 0.1479 0.4434
Loa Loa (eye worm) hypothetical protein 0.0768 0.3335 1
Loa Loa (eye worm) hypothetical protein 0.0362 0.1479 0.4434
Schistosoma mansoni hepatocyte nuclear factor 4-alpha (hnf-4-alpha) 0.0362 0.1479 0.1479
Schistosoma mansoni nuclear receptor 0.0362 0.1479 0.1479
Schistosoma mansoni retinoic acid receptor RXR 0.0768 0.3335 0.3335
Mycobacterium leprae DIHYDROLIPOAMIDE DEHYDROGENASE LPD (LIPOAMIDE REDUCTASE (NADH)) (LIPOYL DEHYDROGENASE) (DIHYDROLIPOYL DEHYDROGENASE) (DIAPHORASE 0.0103 0.029 1
Loa Loa (eye worm) hypothetical protein 0.0362 0.1479 0.4434
Echinococcus granulosus nuclear receptor 2DBD gamma 0.0362 0.1479 0.4434
Schistosoma mansoni retinoid-x-receptor (RXR) 0.0406 0.1678 0.1678
Schistosoma mansoni RAR-like nuclear receptor 0.0768 0.3335 0.3335
Loa Loa (eye worm) hypothetical protein 0.0406 0.1678 0.503
Brugia malayi hypothetical protein 0.0362 0.1479 0.4434
Loa Loa (eye worm) hypothetical protein 0.0406 0.1678 0.503
Plasmodium falciparum glutathione reductase 0.004 0.0006 0.5
Echinococcus granulosus ecdysone induced protein 78C 0.0768 0.3335 1
Echinococcus granulosus nuclear receptor subfamily 1 group D 0.0406 0.1678 0.503
Brugia malayi nuclear receptor NHR-88 0.0768 0.3335 1
Trypanosoma brucei trypanothione reductase 0.004 0.0006 0.5
Schistosoma mansoni nuclear hormone receptor 0.0768 0.3335 0.3335
Plasmodium vivax glutathione reductase, putative 0.004 0.0006 0.5
Brugia malayi Nuclear hormone receptor-like 1 0.0406 0.1678 0.503
Loa Loa (eye worm) nuclear hormone receptor 0.0362 0.1479 0.4434
Echinococcus multilocularis FTZ F1 nuclear receptor protein 0.0768 0.3335 1
Brugia malayi Thioredoxin reductase 0.004 0.0006 0.0018
Brugia malayi conserved hypotetical protein 0.0362 0.1479 0.4434
Schistosoma mansoni retinoid-x-receptor (RXR) 0.0768 0.3335 0.3335
Brugia malayi photoreceptor-specific nuclear receptor 0.0768 0.3335 1
Loa Loa (eye worm) DR-78 0.0362 0.1479 0.4434
Echinococcus granulosus retinoic acid receptor rxr beta a 0.0768 0.3335 1
Loa Loa (eye worm) steroid hormone receptor 0.0768 0.3335 1
Brugia malayi Nuclear hormone receptor family member nhr-14 0.0768 0.3335 1
Brugia malayi ecdysone receptor 0.0362 0.1479 0.4434
Leishmania major trypanothione reductase 0.004 0.0006 0.5
Brugia malayi Ligand-binding domain of nuclear hormone receptor family protein 0.0768 0.3335 1
Loa Loa (eye worm) hypothetical protein 0.0362 0.1479 0.4434
Echinococcus multilocularis ecdysone induced protein 78C 0.0768 0.3335 1
Toxoplasma gondii thioredoxin reductase 0.004 0.0006 0.5
Loa Loa (eye worm) thioredoxin reductase 0.004 0.0006 0.0018
Echinococcus granulosus nuclear receptor 2DBD gamma 0.0768 0.3335 1
Brugia malayi Nuclear hormone receptor family member nhr-41 0.0768 0.3335 1
Echinococcus multilocularis thyroid hormone receptor alpha 0.0768 0.3335 1
Echinococcus multilocularis Nuclear hormone receptor HR96 0.0362 0.1479 0.4434
Brugia malayi nuclear receptor subfamily 1, group D, member 1, putative 0.0362 0.1479 0.4434
Brugia malayi nuclear receptor NHR-67 0.0362 0.1479 0.4434
Loa Loa (eye worm) nuclear hormone receptor family member nhr-31 0.0768 0.3335 1
Loa Loa (eye worm) hypothetical protein 0.0768 0.3335 1
Loa Loa (eye worm) nuclear hormone receptor family member nhr-14 0.0768 0.3335 1
Brugia malayi Nuclear hormone receptor family member nhr-31 0.0768 0.3335 1
Loa Loa (eye worm) nuclear receptor nhr-7B 0.0362 0.1479 0.4434
Brugia malayi Nuclear hormone receptor family member nhr-25 0.0768 0.3335 1
Loa Loa (eye worm) hypothetical protein 0.0768 0.3335 1
Echinococcus granulosus hepatocyte nuclear factor 4 alpha 0.0768 0.3335 1
Onchocerca volvulus Steroid hormone receptor family member cnr14 homolog 0.0768 0.3335 1

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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