Detailed information for compound 1076398

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 409.485 | Formula: C19H15N5O2S2
  • H donors: 2 H acceptors: 3 LogP: 3.5 Rotable bonds: 6
    Rule of 5 violations (Lipinski): 1
  • SMILES: COc1ccccc1NC(=O)Nc1ncnc2c1sc(=S)n2c1ccccc1
  • InChi: 1S/C19H15N5O2S2/c1-26-14-10-6-5-9-13(14)22-18(25)23-16-15-17(21-11-20-16)24(19(27)28-15)12-7-3-2-4-8-12/h2-11H,1H3,(H2,20,21,22,23,25)
  • InChiKey: JUNBNUCOJRJTGC-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 multilocularis muscleblind protein 0.0146 0.9858 1
Loa Loa (eye worm) RNA binding protein 0.0062 0.2804 0.2804
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0046 0.1459 0.3809
Echinococcus multilocularis muscleblind protein 1 0.0146 0.9858 1
Schistosoma mansoni jumonji domain containing protein 0.0074 0.383 1
Loa Loa (eye worm) hypothetical protein 0.0146 0.9858 0.9858
Loa Loa (eye worm) hypothetical protein 0.0049 0.1708 0.1708
Echinococcus granulosus tar DNA binding protein 0.0062 0.2804 0.2844
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0046 0.1459 0.148
Loa Loa (eye worm) TAR-binding protein 0.0062 0.2804 0.2804
Brugia malayi GTP-binding regulatory protein Gs alpha-S chain, putative 0.0046 0.1459 0.1459
Brugia malayi jmjC domain containing protein 0.0093 0.5439 0.5439
Brugia malayi RNA recognition motif domain containing protein 0.0062 0.2804 0.2804
Schistosoma mansoni tar DNA-binding protein 0.0062 0.2804 0.7321
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0046 0.1459 0.3809
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0046 0.1459 0.3809
Echinococcus multilocularis Transcription factor, JmjC domain containing protein 0.0093 0.5439 0.5517
Echinococcus multilocularis tar DNA binding protein 0.0062 0.2804 0.2844
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0046 0.1459 0.148
Loa Loa (eye worm) jmjC domain-containing protein 0.0034 0.0503 0.0503
Loa Loa (eye worm) GTP-binding regulatory protein Gs alpha-S chain 0.0046 0.1459 0.1459
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0046 0.1459 0.148
Echinococcus granulosus lysine specific demethylase 5A 0.0034 0.0503 0.051
Schistosoma mansoni tar DNA-binding protein 0.0062 0.2804 0.7321
Echinococcus granulosus jumonji domain containing protein 0.004 0.0936 0.095
Echinococcus granulosus muscleblind protein 0.0146 0.9858 1
Schistosoma mansoni tar DNA-binding protein 0.0062 0.2804 0.7321
Brugia malayi TAR-binding protein 0.0062 0.2804 0.2804
Loa Loa (eye worm) jmjC domain-containing protein 0.0059 0.2545 0.2545
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0046 0.1459 0.148
Brugia malayi Muscleblind-like protein 0.0146 0.9858 0.9858
Schistosoma mansoni jumonji/arid domain-containing protein 0.0034 0.0503 0.1313
Echinococcus granulosus Transcription factor JmjC domain containing protein 0.0093 0.5439 0.5517
Loa Loa (eye worm) hypothetical protein 0.0146 0.9858 0.9858
Echinococcus multilocularis lysine specific demethylase 5A 0.0034 0.0503 0.051
Schistosoma mansoni tar DNA-binding protein 0.0062 0.2804 0.7321
Schistosoma mansoni jumonji/arid domain-containing protein 0.0034 0.0503 0.1313
Brugia malayi RNA binding protein 0.0062 0.2804 0.2804
Brugia malayi jmjC domain containing protein 0.0034 0.0503 0.0503
Schistosoma mansoni tar DNA-binding protein 0.0062 0.2804 0.7321
Echinococcus multilocularis jumonji domain containing protein 0.004 0.0936 0.095
Loa Loa (eye worm) RNA recognition domain-containing protein domain-containing protein 0.0062 0.2804 0.2804

Activities

Activity type Activity value Assay description Source Reference
Activity (functional) = 3.201 nmol Antioxidant activity against lipid peroxidation in haloperidol-stimulated Swiss albino mouse brain assessed as malonaldehyde level per mg of protein by lipid peroxidation assay (Rvb= 5.521 +/- 0.23 nmol) ChEMBL. 19447524
Activity (functional) = 1.134 U Antioxidant activity in haloperidol-stimulated Swiss albino mouse brain assessed as oxidized glutathione peroxidase level per g of protein (Rvb= 0.765+/- 0.13 U) ChEMBL. 19447524
Activity (functional) = 1.992 U Antioxidant activity in haloperidol-stimulated Swiss albino mouse brain assessed as superoxide dismutase level per mg of protein (Rvb= 0.941+/- 0.15 U) ChEMBL. 19447524
Activity (functional) = 14.362 ug Antioxidant activity against GSH in haloperidol-stimulated Swiss albino mouse brain assessed as reduced glutathione level per gm of tissue (Rvb= 6.753 +/- 0.15 ug) ChEMBL. 19447524
INH (functional) = 23.4 min Inhibition of haloperidol-induced catalepsy in Swiss albino mouse at 100 mg/kg, po administered 30 min prior to haloperidol challenge by bar test relative to haloperidol control ChEMBL. 19447524
INH (functional) = 26 min Inhibition of haloperidol-induced catalepsy in Swiss albino mouse assessed as time elapsed until release of forepaw from bar at 100 mg/kg, po administered 30 min prior to haloperidol challenge measured after 30 mins by bar test ChEMBL. 19447524
INH (functional) = 49 min Inhibition of haloperidol-induced catalepsy in Swiss albino mouse assessed as time elapsed until release of forepaw from bar at 100 mg/kg, po administered 30 min prior to haloperidol challenge measured after 60 mins by bar test ChEMBL. 19447524
INH (functional) = 57 min Inhibition of haloperidol-induced catalepsy in Swiss albino mouse assessed as time elapsed until release of forepaw from bar at 100 mg/kg, po administered 30 min prior to haloperidol challenge measured after 90 mins by bar test ChEMBL. 19447524
INH (functional) = 83 min Inhibition of haloperidol-induced catalepsy in Swiss albino mouse assessed as time elapsed until release of forepaw from bar at 100 mg/kg, po administered 30 min prior to haloperidol challenge measured after 150 mins by bar test ChEMBL. 19447524
INH (functional) = 89 min Inhibition of haloperidol-induced catalepsy in Swiss albino mouse assessed as time elapsed until release of forepaw from bar at 100 mg/kg, po administered 30 min prior to haloperidol challenge measured after 120 mins by bar test ChEMBL. 19447524
INH (functional) = 94 min Inhibition of haloperidol-induced catalepsy in Swiss albino mouse assessed as time elapsed until release of forepaw from bar at 100 mg/kg, po administered 30 min prior to haloperidol challenge measured after 180 mins by bar test ChEMBL. 19447524

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.
 
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External resources for this compound

Bibliographic References

No literature references available for this target.

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