Detailed information for compound 305163

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 275.712 | Formula: C9H10ClN3O3S
  • H donors: 2 H acceptors: 3 LogP: -0.09 Rotable bonds: 1
    Rule of 5 violations (Lipinski): 1
  • SMILES: CN1NCc2c(C1=O)cc(c(c2)Cl)S(=O)(=O)N
  • InChi: 1S/C9H10ClN3O3S/c1-13-9(14)6-3-8(17(11,15)16)7(10)2-5(6)4-12-13/h2-3,12H,4H2,1H3,(H2,11,15,16)
  • InChiKey: BUTFWSRFFVMPQW-UHFFFAOYSA-N  

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
Wolbachia endosymbiont of Brugia malayi dihydrolipoamide dehydrogenase E3 component 0.0073 0.1234 0.5
Loa Loa (eye worm) thioredoxin reductase 0.0211 1 0.5
Treponema pallidum NADH oxidase 0.0073 0.1234 0.5
Mycobacterium ulcerans flavoprotein disulfide reductase 0.0073 0.1234 0.5
Mycobacterium tuberculosis NADPH-dependent mycothiol reductase Mtr 0.0211 1 1
Wolbachia endosymbiont of Brugia malayi dihydrolipoamide dehydrogenase E3 component 0.0073 0.1234 0.5
Leishmania major trypanothione reductase 0.0211 1 1
Plasmodium falciparum glutathione reductase 0.0211 1 1
Toxoplasma gondii thioredoxin reductase 0.0211 1 1
Plasmodium vivax thioredoxin reductase, putative 0.0211 1 1
Echinococcus granulosus thioredoxin glutathione reductase 0.0211 1 1
Mycobacterium ulcerans dihydrolipoamide dehydrogenase 0.0073 0.1234 0.5
Loa Loa (eye worm) glutathione reductase 0.0211 1 0.5
Chlamydia trachomatis dihydrolipoyl dehydrogenase 0.0073 0.1234 0.5
Mycobacterium ulcerans dihydrolipoamide dehydrogenase, LpdB 0.0073 0.1234 0.5
Trichomonas vaginalis mercuric reductase, putative 0.0073 0.1234 0.5
Trichomonas vaginalis glutathione reductase, putative 0.0073 0.1234 0.5
Trypanosoma brucei trypanothione reductase 0.0211 1 1
Mycobacterium leprae DIHYDROLIPOAMIDE DEHYDROGENASE LPD (LIPOAMIDE REDUCTASE (NADH)) (LIPOYL DEHYDROGENASE) (DIHYDROLIPOYL DEHYDROGENASE) (DIAPHORASE 0.0073 0.1234 0.5
Plasmodium falciparum thioredoxin reductase 0.0211 1 1
Plasmodium vivax glutathione reductase, putative 0.0211 1 1
Giardia lamblia NADH oxidase lateral transfer candidate 0.0073 0.1234 0.5
Trypanosoma cruzi trypanothione reductase, putative 0.0211 1 1
Echinococcus multilocularis thioredoxin glutathione reductase 0.0211 1 1
Brugia malayi dihydrolipoyl dehydrogenase, mitochondrial precursor, putative 0.0073 0.1234 0.1234
Brugia malayi Thioredoxin reductase 0.0211 1 1

Activities

Activity type Activity value Assay description Source Reference
Decrease in blood pressure (functional) = 22.7 mmHg Compound was tested for antihypertensive activity in rat after 24 hr postdose ChEMBL. 3712385
Decrease in blood pressure (functional) = 31.3 mmHg Compound was tested for antihypertensive activity in rat after 1 hr postdose ChEMBL. 3712385
Decrease in blood pressure (functional) = 45 mmHg Compound was tested for antihypertensive activity in rat after 4 hr postdose ChEMBL. 3712385
Diuretic activity (functional) = 5 ml Diuretic activity in rats at time intervals of 0-5 hours ChEMBL. 3712385
Diuretic activity (functional) = 6.8 ml Diuretic activity in rats at time intervals of 5-24 hours ChEMBL. 3712385
Diuretic activity (functional) = 11.8 ml Diuretic activity in rats at time intervals of 0-24 hours ChEMBL. 3712385
Ratio (functional) = 1.13 Saluretic activity in rats after 5-24 hours, as ratio of Na+/K+ ion concentration in urine ChEMBL. 3712385
Ratio (functional) = 1.33 Saluretic activity in rats after 0-24 hours, as ratio of Na+/K+ ion concentration in urine ChEMBL. 3712385
Ratio (functional) = 1.74 Saluretic activity in rats after 0-5 hours, as ratio of Na+/K+ ion concentration in urine ChEMBL. 3712385
Saluretic activity (functional) = 2.55 m equiv kg-1 Saluretic activity in rats after 0-5 hours, as potassium ion concentration in urine ChEMBL. 3712385
Saluretic activity (functional) = 3.15 m equiv kg-1 Saluretic activity in rats after 5-24 hours, as chloride ion concentration in urine ChEMBL. 3712385
Saluretic activity (functional) = 4.45 m equiv kg-1 Saluretic activity in rats after 0-5 hours, as sodium ion concentration in urine ChEMBL. 3712385
Saluretic activity (functional) = 5.27 m equiv kg-1 Saluretic activity in rats after 5-24 hours, as potassium ion concentration in urine ChEMBL. 3712385
Saluretic activity (functional) = 5.98 m equiv kg-1 Saluretic activity in rats after 5-24 hours, as sodium ion concentration in urine ChEMBL. 3712385
Saluretic activity (functional) = 6.2 m equiv kg-1 Saluretic activity in rats after 0-5 hours, as chloride ion concentration in urine ChEMBL. 3712385
Saluretic activity (functional) = 7.82 m equiv kg-1 Saluretic activity in rats after 0-24 hours, as potassium ion concentration in urine ChEMBL. 3712385
Saluretic activity (functional) = 9.35000000000003 m equiv kg-1 Saluretic activity in rats after 0-24 hours, as chloride ion concentration in urine ChEMBL. 3712385
Saluretic activity (functional) = 10.43 m equiv kg-1 Saluretic activity in rats after 0-24 hours, as sodium ion concentration in urine ChEMBL. 3712385

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

1 literature reference was collected for this gene.

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