Detailed information for compound 1809534

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 321.782 | Formula: C14H12ClN3O2S
  • H donors: 0 H acceptors: 3 LogP: 4.09 Rotable bonds: 4
    Rule of 5 violations (Lipinski): 1
  • SMILES: CCOC(=O)c1sc2n(c1C)nc(n2)c1ccc(cc1)Cl
  • InChi: 1S/C14H12ClN3O2S/c1-3-20-13(19)11-8(2)18-14(21-11)16-12(17-18)9-4-6-10(15)7-5-9/h4-7H,3H2,1-2H3
  • InChiKey: QGOVLYWYISTTJK-UHFFFAOYSA-N  


Substructure search Similarity search

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
Loa Loa (eye worm) hypothetical protein 0.0212 0.2074 0.2074
Brugia malayi Glycogen synthase 0.0212 0.2074 0.2074
Loa Loa (eye worm) hypothetical protein 0.052 1 1
Trichomonas vaginalis AGC family protein kinase 0.0132 0 0.5
Entamoeba histolytica protein kinase, putative 0.0132 0 0.5
Loa Loa (eye worm) hypothetical protein 0.052 1 1
Loa Loa (eye worm) hypothetical protein 0.052 1 1
Trichomonas vaginalis AGC family protein kinase 0.0132 0 0.5
Trypanosoma brucei aurora B kinase 0.0132 0 0.5
Leishmania major protein kinase, putative 0.0132 0 0.5
Echinococcus granulosus glycogen synthase 0.052 1 1
Entamoeba histolytica serine/threonine protein kinase 6, putative 0.0132 0 0.5
Loa Loa (eye worm) hypothetical protein 0.052 1 1
Onchocerca volvulus Glycogen synthase homolog 0.052 1 0.5
Echinococcus multilocularis glycogen synthase 0.052 1 1
Entamoeba histolytica protein kinase , putative 0.0132 0 0.5
Loa Loa (eye worm) hypothetical protein 0.052 1 1
Entamoeba histolytica serine/threonine- protein kinase 6, putative 0.0132 0 0.5
Entamoeba histolytica protein kinase, putative 0.0132 0 0.5
Toxoplasma gondii aurora kinase 0.0132 0 0.5
Giardia lamblia Glycogen synthase, putative 0.052 1 1
Schistosoma mansoni glycogen synthase 0.052 1 1
Brugia malayi Glycogen synthase 0.0212 0.2074 0.2074
Trichomonas vaginalis AGC family protein kinase 0.0132 0 0.5
Loa Loa (eye worm) hypothetical protein 0.052 1 1
Plasmodium falciparum serine/threonine protein kinase, putative 0.0132 0 0.5
Trichomonas vaginalis AGC family protein kinase 0.0132 0 0.5
Entamoeba histolytica serine/threonine- protein kinase 6 , putative 0.0132 0 0.5
Trypanosoma cruzi aurora B kinase, putative 0.0132 0 0.5
Plasmodium vivax serine/threonine protein kinase 6, putative 0.0132 0 0.5
Entamoeba histolytica protein kinase domain containing protein 0.0132 0 0.5
Loa Loa (eye worm) glycogen synthase 0.0212 0.2074 0.2074

Activities

Activity type Activity value Assay description Source Reference
Activity (ADMET) Toxicity in in Mus musculus BALB/c (mouse) assessed as mortality at 50 to 200 mg/kg, po after 72 hr ChEMBL. No reference
Activity (ADMET) Toxicity in in Mus musculus BALB/c (mouse) assessed as behavioral changes at 50 to 200 mg/kg, po after 72 hr ChEMBL. No reference
Activity (functional) = 35.7 10'-2mm Anti-inflammatory activity in Mus musculus BALB/c (mouse) assessed as carrageenan-induced paw swelling at 200 mg/kg, po administered 1 hr followed by carrageenan challenge measured at 90 min (Rvb = 39 +/- 5.6 x 10'-2 mm) ChEMBL. No reference
Activity (functional) = 42.8 10'-2mm Anti-inflammatory activity in Mus musculus BALB/c (mouse) assessed as carrageenan-induced paw swelling at 100 mg/kg, po administered 1 hr followed by carrageenan challenge measured at 180 min (Rvb = 52 +/- 4.6 x 10'-2 mm) ChEMBL. No reference
Activity (functional) = 45.5 10'-2mm Anti-inflammatory activity in Mus musculus BALB/c (mouse) assessed as carrageenan-induced paw swelling at 100 mg/kg, po administered 1 hr followed by carrageenan challenge measured at 90 min (Rvb = 39 +/- 5.6 x 10'-2 mm) ChEMBL. No reference
Activity (functional) = 45.7 10'-2mm Anti-inflammatory activity in Mus musculus BALB/c (mouse) assessed as carrageenan-induced paw swelling at 200 mg/kg, po administered 1 hr followed by carrageenan challenge measured at 180 min (Rvb = 52 +/- 4.6 x 10'-2 mm) ChEMBL. No reference
Activity (functional) = 66.1 10'-2mm Anti-inflammatory activity in Mus musculus BALB/c (mouse) assessed as carrageenan-induced paw swelling at 50 mg/kg, po administered 1 hr followed by carrageenan challenge measured at 90 min (Rvb = 39 +/- 5.6 x 10'-2 mm) ChEMBL. No reference
Activity (functional) = 69.6 10'-2mm Anti-inflammatory activity in Mus musculus BALB/c (mouse) assessed as carrageenan-induced paw swelling at 200 mg/kg, po administered 1 hr followed by carrageenan challenge measured at 270 min (Rvb = 78 +/- 8.4 x 10'-2 mm) ChEMBL. No reference
Activity (functional) = 69.9 10'-2mm Anti-inflammatory activity in Mus musculus BALB/c (mouse) assessed as carrageenan-induced paw swelling at 100 mg/kg, po administered 1 hr followed by carrageenan challenge measured at 270 min (Rvb = 78 +/- 8.4 x 10'-2 mm) ChEMBL. No reference
Activity (functional) = 70 10'-2mm Anti-inflammatory activity in Mus musculus BALB/c (mouse) assessed as carrageenan-induced paw swelling at 50 mg/kg, po administered 1 hr followed by carrageenan challenge measured at 180 min (Rvb = 52 +/- 4.6 x 10'-2 mm) ChEMBL. No reference
Activity (functional) = 75.4 10'-2mm Anti-inflammatory activity in Mus musculus BALB/c (mouse) assessed as carrageenan-induced paw swelling at 100 mg/kg, po administered 1 hr followed by carrageenan challenge measured at 360 min (Rvb = 105 +/- 4.5 x 10'-2 mm) ChEMBL. No reference
Activity (functional) = 91.1 10'-2mm Anti-inflammatory activity in Mus musculus BALB/c (mouse) assessed as carrageenan-induced paw swelling at 50 mg/kg, po administered 1 hr followed by carrageenan challenge measured at 270 min (Rvb = 78 +/- 8.4 x 10'-2 mm) ChEMBL. No reference
Activity (functional) = 98.3 10'-2mm Anti-inflammatory activity in Mus musculus BALB/c (mouse) assessed as carrageenan-induced paw swelling at 200 mg/kg, po administered 1 hr followed by carrageenan challenge measured at 360 min (Rvb = 105 +/- 4.5 x 10'-2 mm) ChEMBL. No reference
Activity (functional) = 117.8 10'-2mm Anti-inflammatory activity in Mus musculus BALB/c (mouse) assessed as carrageenan-induced paw swelling at 50 mg/kg, po administered 1 hr followed by carrageenan challenge measured at 360 min (Rvb = 105 +/- 4.5 x 10'-2 mm) ChEMBL. No reference
Activity (functional) = 116.9 nmol/g Antioxidant activity in Mus musculus BALB/c (mouse) stomach assessed as TBARS level at 100 mg/kg, po (Rvb = 80.4 +/- 5.4 nmol/g ) ChEMBL. No reference
Inhibition (functional) = 17.7 % Anti-inflammatory activity in Mus musculus BALB/c (mouse) assessed as inhibition of carrageenan-induced paw swelling at 100 mg/kg, po administered 1 hr followed by carrageenan challenge measured at 180 min relative to control ChEMBL. No reference
Inhibition (functional) = 28.2 % Anti-inflammatory activity in Mus musculus BALB/c (mouse) assessed as inhibition of carrageenan-induced paw swelling at 100 mg/kg, po administered 1 hr followed by carrageenan challenge measured at 360 min relative to control ChEMBL. No reference
Inhibition (functional) = 89.7 % Analgesic activity in Mus musculus BALB/c (mouse) assessed as inhibition of acetic acid-induced writhing at 100 mg/kg, po administered 1 hr followed by acetic acid challenge measured for 10 min ChEMBL. No reference

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.

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