Detailed information for compound 290382

Basic information

Technical information
  • TDR Targets ID: 290382
  • Name: 7-fluoro-2-methyl-4-(4-methylpiperazin-1-yl)- 10H-thieno[3,2-b][1,5]benzodiazepine
  • MW: 330.423 | Formula: C17H19FN4S
  • H donors: 1 H acceptors: 0 LogP: 2.96 Rotable bonds: 1
    Rule of 5 violations (Lipinski): 1
  • SMILES: CN1CCN(CC1)C1=Nc2cc(F)ccc2Nc2c1sc(c2)C
  • InChi: 1S/C17H19FN4S/c1-11-9-15-16(23-11)17(22-7-5-21(2)6-8-22)20-14-10-12(18)3-4-13(14)19-15/h3-4,9-10,19H,5-8H2,1-2H3
  • InChiKey: CVXLPHKTOLDTBE-UHFFFAOYSA-N  


Substructure search Similarity search

Network

Hover on a compound node to display the structore

Synonyms

  • 7-fluoro-2-methyl-4-(4-methyl-1-piperazinyl)-10H-thieno[3,2-b][1,5]benzodiazepine
  • 7-fluoro-2-methyl-4-(4-methylpiperazino)-10H-thieno[3,2-b][1,5]benzodiazepine
  • 74137-73-8
  • 4H-Thieno(3,2-b)(1,5)benzodiazepine, 7-fluoro-2-methyl-10-(4-methyl-1-piperazinyl)-
  • 7-Fluoro-2-methyl-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
Trichomonas vaginalis PIKK family atypical protein kinase 0.0023 0.238 0.3713
Loa Loa (eye worm) phosphatidylinositol 3 0.0042 0.6411 0.6187
Trichomonas vaginalis PIKK family atypical protein kinase 0.0023 0.2373 0.3702
Loa Loa (eye worm) TAR-binding protein 0.006 1 1
Trichomonas vaginalis PIKK family atypical protein kinase 0.0032 0.4166 0.6498
Entamoeba histolytica FKBP-rapamycin associated protein (FRAP), putative 0.0042 0.6411 0.5
Leishmania major target of rapamycin (TOR) kinase 2, putative 0.0042 0.6411 1
Schistosoma mansoni ataxia telangiectasia mutated (atm)-related 0.0042 0.6411 0.6187
Trypanosoma brucei target of rapamycin kinase 3, putative 0.0034 0.4626 0.6934
Trichomonas vaginalis PIKK family atypical protein kinase 0.0036 0.513 0.8002
Brugia malayi Phosphatidylinositol 3- and 4-kinase family protein 0.0042 0.6411 0.6187
Schistosoma mansoni tar DNA-binding protein 0.006 1 1
Trypanosoma brucei phosphatidylinositol 3-kinase tor, putative 0.002 0.1793 0.207
Toxoplasma gondii target of rapamycin (TOR), putative 0.0032 0.4166 0.5
Brugia malayi TAR-binding protein 0.006 1 1
Trypanosoma cruzi Phosphatidylinositol 3-kinase tor2 0.0042 0.6411 1
Trichomonas vaginalis PIKK family atypical protein kinase 0.0025 0.2885 0.4499
Trypanosoma cruzi Phosphatidylinositol 3-kinase tor1 0.0042 0.6411 1
Echinococcus granulosus FKBP12 rapamycin complex associated protein 0.0042 0.6411 0.6187
Trichomonas vaginalis PIKK family atypical protein kinase 0.0014 0.0587 0.0916
Schistosoma mansoni tar DNA-binding protein 0.006 1 1
Schistosoma mansoni tar DNA-binding protein 0.006 1 1
Trichomonas vaginalis PIKK family atypical protein kinase 0.0023 0.238 0.3713
Schistosoma mansoni tar DNA-binding protein 0.006 1 1
Trichomonas vaginalis PIKK family atypical protein kinase 0.0042 0.6411 1
Brugia malayi RNA recognition motif domain containing protein 0.006 1 1
Trichomonas vaginalis PIKK family atypical protein kinase 0.0032 0.4166 0.6498
Trypanosoma cruzi target of rapamycin kinase 3 0.0034 0.4626 0.6934
Trypanosoma brucei FAT domain/Rapamycin binding domain/Phosphatidylinositol 3- and 4-kinase, putative 0.0018 0.1288 0.1204
Trichomonas vaginalis PIKK family atypical protein kinase 0.0023 0.238 0.3713
Trichomonas vaginalis PIKK family atypical protein kinase 0.0032 0.4166 0.6498
Trichomonas vaginalis PIKK family atypical protein kinase 0.0032 0.4166 0.6498
Echinococcus multilocularis FKBP12 rapamycin complex associated protein 0.0042 0.6411 0.6187
Trichomonas vaginalis PIKK family atypical protein kinase 0.0032 0.4166 0.6498
Trichomonas vaginalis PIKK family atypical protein kinase 0.0028 0.3337 0.5205
Schistosoma mansoni tar DNA-binding protein 0.006 1 1
Trichomonas vaginalis PIKK family atypical protein kinase 0.0014 0.0587 0.0916
Leishmania major target of rapamycin (TOR) kinase 1, putative 0.0042 0.6411 1
Trichomonas vaginalis PIKK family atypical protein kinase 0.0025 0.2885 0.4499
Entamoeba histolytica phosphatidylinositol3-kinaseTor2, putative 0.0042 0.6411 0.5
Trypanosoma brucei phosphatidylinositol 4-kinase, putative 0.0042 0.6411 1
Trichomonas vaginalis PIKK family atypical protein kinase 0.0025 0.2833 0.4418
Trichomonas vaginalis PIKK family atypical protein kinase 0.0032 0.4166 0.6498
Trichomonas vaginalis PIKK family atypical protein kinase 0.0014 0.0587 0.0916
Trichomonas vaginalis PIKK family atypical protein kinase 0.0025 0.2885 0.4499
Trichomonas vaginalis PIKK family atypical protein kinase 0.0023 0.2373 0.3702
Leishmania major target of rapamycin kinase (TOR) kinase 3 0.0034 0.4626 0.6934
Trichomonas vaginalis PIKK family atypical protein kinase 0.0042 0.6411 1
Trichomonas vaginalis PIKK family atypical protein kinase 0.0034 0.4618 0.7204
Giardia lamblia GTOR 0.0042 0.6411 0.5
Loa Loa (eye worm) RNA binding protein 0.006 1 1
Trichomonas vaginalis PIKK family atypical protein kinase 0.0023 0.2373 0.3702
Echinococcus granulosus tar DNA binding protein 0.006 1 1
Trichomonas vaginalis PIKK family atypical protein kinase 0.0034 0.4618 0.7204
Trichomonas vaginalis PIKK family atypical protein kinase 0.0034 0.4618 0.7204
Trypanosoma brucei Phosphatidylinositol 3-kinase tor1 0.0042 0.6411 1
Trichomonas vaginalis PIKK family atypical protein kinase 0.0034 0.4618 0.7204
Echinococcus multilocularis tar DNA binding protein 0.006 1 1
Trichomonas vaginalis PIKK family atypical protein kinase 0.0034 0.4618 0.7204
Trichomonas vaginalis PIKK family atypical protein kinase 0.0028 0.3527 0.5501
Trichomonas vaginalis PIKK family atypical protein kinase 0.0014 0.0587 0.0916
Trichomonas vaginalis PIKK family atypical protein kinase 0.0023 0.238 0.3713
Trichomonas vaginalis PIKK family atypical protein kinase 0.0014 0.0587 0.0916
Loa Loa (eye worm) RNA recognition domain-containing protein domain-containing protein 0.006 1 1
Trichomonas vaginalis PIKK family atypical protein kinase 0.0025 0.2833 0.4418
Trichomonas vaginalis PIKK family atypical protein kinase 0.0042 0.6411 1
Trichomonas vaginalis PIKK family atypical protein kinase 0.0032 0.4166 0.6498

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 10 mg/kg; no sinificant block 0-25% ChEMBL. 6105217
EDmin (functional) = 12.5 mg kg-1 Hypothermia in mice after perorla administration ChEMBL. 6105217
EDmin (functional) = 12.5 mg kg-1 Hypothermia in mice after perorla administration ChEMBL. 6105217
LD50 (ADMET) = 150 mg kg-1 Lethal dose in mice after perorla administration ChEMBL. 6105217
LD50 (ADMET) = 150 mg kg-1 Lethal dose in mice after perorla administration ChEMBL. 6105217
NT (functional) 0 compound was evaluated for its ability to produce catalepsy activity in rats; NT denotes not tested 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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