Detailed information for compound 290955

Basic information

Technical information
  • TDR Targets ID: 290955
  • Name: 4-(4-methylpiperazin-1-yl)-10H-thieno[3,2-b][ 1,5]benzodiazepine
  • MW: 298.406 | Formula: C16H18N4S
  • H donors: 1 H acceptors: 0 LogP: 2.46 Rotable bonds: 1
    Rule of 5 violations (Lipinski): 1
  • SMILES: CN1CCN(CC1)C1=Nc2ccccc2Nc2c1scc2
  • InChi: 1S/C16H18N4S/c1-19-7-9-20(10-8-19)16-15-14(6-11-21-15)17-12-4-2-3-5-13(12)18-16/h2-6,11,17H,7-10H2,1H3
  • InChiKey: SBQAHBPDPPGHMZ-UHFFFAOYSA-N  

Network

Hover on a compound node to display the structore

Synonyms

  • 4-(4-methyl-1-piperazinyl)-10H-thieno[3,2-b][1,5]benzodiazepine
  • 4-(4-methylpiperazino)-10H-thieno[3,2-b][1,5]benzodiazepine
  • 61354-12-9
  • 4H-Thieno(3,2-b)(1,5)benzodiazepine, 10-(4-methyl-1-piperazinyl)-
  • BRN 1025499
  • 10-(4-Methyl-1-piperazinyl)-4H-thieno(3,2-b)(1,5)benzodiazepine

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
Brugia malayi nuclear hormone receptor 0.0689 0.9419 1
Loa Loa (eye worm) hypothetical protein 0.0199 0.2212 0.2348
Echinococcus multilocularis retinoic acid receptor rxr beta a retinoic acid receptor rxr alpha a retinoic acid receptor rxr alpha 0.0602 0.8144 1
Loa Loa (eye worm) hypothetical protein 0.0075 0.038 0.0404
Echinococcus granulosus retinoic acid receptor rxr beta a 0.0642 0.8725 1
Loa Loa (eye worm) hypothetical protein 0.0654 0.8901 0.9449
Loa Loa (eye worm) nuclear hormone receptor family member nhr-1 0.0075 0.038 0.0404
Brugia malayi Nuclear hormone receptor family member nhr-3 0.0075 0.038 0.0404
Brugia malayi Nuclear hormone receptor family member nhr-14 0.0075 0.038 0.0404
Loa Loa (eye worm) hypothetical protein 0.0075 0.038 0.0404
Brugia malayi steroid hormone receptor 0.0075 0.038 0.0404
Brugia malayi Nuclear hormone receptor family member nhr-25 0.0075 0.038 0.0404
Brugia malayi Nuclear hormone receptor family member nhr-19 0.0075 0.038 0.0404
Brugia malayi Ligand-binding domain of nuclear hormone receptor family protein 0.0075 0.038 0.0404
Loa Loa (eye worm) nuclear hormone receptor family member nhr-41 0.0075 0.038 0.0404
Echinococcus granulosus diuretic hormone 44 receptor GPRdih2 0.0166 0.172 0.1606
Loa Loa (eye worm) hypothetical protein 0.0075 0.038 0.0404
Brugia malayi Ligand-binding domain of nuclear hormone receptor family protein 0.0075 0.038 0.0404
Loa Loa (eye worm) nuclear hormone receptor family member nhr-40 0.0075 0.038 0.0404
Brugia malayi Nuclear hormone receptor family member nhr-1 0.0075 0.038 0.0404
Brugia malayi Steroid receptor seven-up type 2 0.0075 0.038 0.0404
Echinococcus multilocularis diuretic hormone 44 receptor GPRdih2 0.0166 0.172 0.1726
Brugia malayi Nuclear hormone receptor family member nhr-19 0.0075 0.038 0.0404
Schistosoma mansoni retinoic acid receptor RXR 0.0642 0.8725 1
Brugia malayi Nuclear hormone receptor family member nhr-40 0.0075 0.038 0.0404
Brugia malayi photoreceptor-specific nuclear receptor 0.0075 0.038 0.0404
Loa Loa (eye worm) nuclear hormone receptor family member nhr-31 0.0075 0.038 0.0404
Brugia malayi Nuclear hormone receptor family member nhr-31 0.0075 0.038 0.0404
Brugia malayi Nuclear hormone receptor family member nhr-25 0.0075 0.038 0.0404
Loa Loa (eye worm) nuclear hormone receptor family member nhr-14 0.0075 0.038 0.0404
Brugia malayi ecdysteroid receptor 0.0075 0.038 0.0404
Loa Loa (eye worm) hypothetical protein 0.0075 0.038 0.0404
Loa Loa (eye worm) nuclear hormone receptor family member nhr-49 0.0075 0.038 0.0404
Brugia malayi Nuclear hormone receptor-like 1 0.0075 0.038 0.0404
Loa Loa (eye worm) hypothetical protein 0.0075 0.038 0.0404
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.0199 0.2212 0.2348
Brugia malayi Nuclear hormone receptor family member nhr-49 0.0075 0.038 0.0404
Loa Loa (eye worm) hypothetical protein 0.0075 0.038 0.0404
Brugia malayi Nuclear hormone receptor family member nhr-41 0.0075 0.038 0.0404
Loa Loa (eye worm) nuclear Hormone Receptor family member 0.0075 0.038 0.0404
Loa Loa (eye worm) nuclear receptor nhr-7B 0.0689 0.9419 1
Brugia malayi nuclear receptor NHR-88 0.0075 0.038 0.0404
Loa Loa (eye worm) hypothetical protein 0.0075 0.038 0.0404
Loa Loa (eye worm) steroid hormone receptor 0.0075 0.038 0.0404
Loa Loa (eye worm) hypothetical protein 0.0075 0.038 0.0404
Brugia malayi nuclear hormone receptor 0.0075 0.038 0.0404

Activities

Activity type Activity value Assay description Source Reference
Activity (functional) = 2 compound was evaluated for its ability to produce catalepsy activity in rats; Dose administered perorally is 25 mg/kg ChEMBL. 6105217
Activity (functional) = 3 Compound was evaluated for its ability to block conditioned avoidance response (CAR) in rats; Dose administered perorally is 25 mg/kg; 51-75% block ChEMBL. 6105217
EDmin (functional) = 25 mg kg-1 Hypothermia in mice after perorla administration ChEMBL. 6105217
EDmin (functional) = 25 mg kg-1 Hypothermia in mice after perorla administration ChEMBL. 6105217
LD50 (ADMET) = 100 mg kg-1 Lethal dose in mice after perorla administration ChEMBL. 6105217
LD50 (ADMET) = 100 mg kg-1 Lethal dose in mice after perorla administration ChEMBL. 6105217

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.

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