Detailed information for compound 300058

Basic information

Technical information
  • TDR Targets ID: 300058
  • Name: 7,8-dichloro-4-piperazin-1-yl-10H-thieno[3,4- b][1,5]benzodiazepine
  • MW: 353.269 | Formula: C15H14Cl2N4S
  • H donors: 2 H acceptors: 0 LogP: 2.92 Rotable bonds: 1
    Rule of 5 violations (Lipinski): 1
  • SMILES: Clc1cc2N=C(N3CCNCC3)c3c(Nc2cc1Cl)csc3
  • InChi: 1S/C15H14Cl2N4S/c16-10-5-12-13(6-11(10)17)20-15(21-3-1-18-2-4-21)9-7-22-8-14(9)19-12/h5-8,18-19H,1-4H2
  • InChiKey: YOTKKISEHKPRLX-UHFFFAOYSA-N  

Network

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Synonyms

  • 7,8-dichloro-4-(1-piperazinyl)-10H-thieno[3,4-b][1,5]benzodiazepine
  • 7,8-dichloro-4-piperazino-10H-thieno[3,4-b][1,5]benzodiazepine
  • 61326-04-3
  • 4H-Thieno(3,4-b)(1,5)benzodiazepine, 6,7-dichloro-10-(1-piperazinyl)-
  • 6,7-Dichloro-10-(1-piperazinyl)-4H-thieno(3,4-b)(1,5)benzodiazepine
  • BRN 1032842

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 guanine nucleotide binding protein Gs subunit 0.0045 0.1367 0.2351
Brugia malayi GTP-binding regulatory protein Gs alpha-S chain, putative 0.0045 0.1367 0.0968
Trypanosoma cruzi myo-inositol-1(or 4)-monophosphatase 1, putative 0.0037 0.0442 0.5
Mycobacterium leprae possible inositol monophosphatase SubH (IMPase) (inositol-1-phosphatase) (I-1-Pase ). 0.0033 0 0.5
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0045 0.1367 0.2351
Trypanosoma cruzi myo-inositol-1(or 4)-monophosphatase 1, putative 0.0037 0.0442 0.5
Entamoeba histolytica hypothetical protein 0.0071 0.4378 1
Loa Loa (eye worm) hypothetical protein 0.0121 1 1
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0045 0.1367 0.2351
Schistosoma mansoni transcription factor LCR-F1 0.0071 0.4378 1
Onchocerca volvulus Huntingtin homolog 0.0121 1 0.5
Schistosoma mansoni hypothetical protein 0.0071 0.4378 1
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0045 0.1367 0.2351
Mycobacterium ulcerans extragenic suppressor protein SuhB 0.0037 0.0442 0.5
Trichomonas vaginalis myo inositol monophosphatase, putative 0.0037 0.0442 0.5
Loa Loa (eye worm) hypothetical protein 0.0121 1 1
Leishmania major myo-inositol-1(or 4)-monophosphatase 1, putative 0.0037 0.0442 0.5
Trypanosoma brucei inositol-1(or 4)-monophosphatase 1, putative 0.0037 0.0442 0.5
Echinococcus granulosus Basic leucine zipper bZIP transcription 0.0071 0.4378 1
Entamoeba histolytica hypothetical protein 0.0071 0.4378 1
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0045 0.1367 0.2351
Brugia malayi hypothetical protein 0.0071 0.4378 0.4118
Trichomonas vaginalis myo inositol monophosphatase, putative 0.0037 0.0442 0.5
Entamoeba histolytica hypothetical protein 0.0071 0.4378 1
Wolbachia endosymbiont of Brugia malayi fructose-1,6-bisphosphatase 0.0037 0.0442 0.5
Mycobacterium tuberculosis Inositol-1-monophosphatase SuhB 0.0033 0 0.5
Entamoeba histolytica hypothetical protein 0.0071 0.4378 1
Onchocerca volvulus Huntingtin homolog 0.0121 1 0.5
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0045 0.1367 0.2351
Trichomonas vaginalis inositol monophosphatase, putative 0.0037 0.0442 0.5
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0045 0.1367 0.2351
Loa Loa (eye worm) GTP-binding regulatory protein Gs alpha-S chain 0.0045 0.1367 0.0968
Echinococcus multilocularis Basic leucine zipper (bZIP) transcription 0.0071 0.4378 1
Toxoplasma gondii inositol(myo)-1(or 4)-monophosphatase 2, putative 0.0037 0.0442 0.5

Activities

Activity type Activity value Assay description Source Reference
Activity (functional) = 0 Compound was evaluated for its ability to block conditioned avoidance response (CAR) in rats; Dose administered perorally is 50 mg/kg; no sinificant block 0-25% ChEMBL. 6105217
Activity (functional) = 0 compound was evaluated for its ability to produce catalepsy activity in rats; Dose administered perorally is 50 mg/kg ChEMBL. 6105217
EDmin (functional) = 200 mg kg-1 Hypothermia in mice after perorla administration ChEMBL. 6105217
EDmin (functional) = 200 mg kg-1 Hypothermia in mice after perorla administration ChEMBL. 6105217
LD50 (ADMET) > 800 mg kg-1 Lethal dose in mice after perorla administration ChEMBL. 6105217
LD50 (ADMET) > 800 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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