Detailed information for compound 957098

Basic information

Technical information
  • TDR Targets ID: 957098
  • Name: 7,8-dihydro-6H-[1,3]dioxolo[4,5-g]isoquinolin -5-one
  • MW: 191.183 | Formula: C10H9NO3
  • H donors: 1 H acceptors: 1 LogP: 1.05 Rotable bonds: 0
    Rule of 5 violations (Lipinski): 1
  • SMILES: O=C1NCCc2c1cc1OCOc1c2
  • InChi: 1S/C10H9NO3/c12-10-7-4-9-8(13-5-14-9)3-6(7)1-2-11-10/h3-4H,1-2,5H2,(H,11,12)
  • InChiKey: VSOJKDUWYQCWFM-UHFFFAOYSA-N  


Substructure search Similarity search

Network

Hover on a compound node to display the structore

Synonyms

  • 21796-14-5
  • 1,3-Dioxolo(4,5-g)isoquinolin-5(6H)-one, 7,8-dihydro- (8CI)(9CI)
  • NSC 201020
  • 7,8-dihydro[1,3]dioxolo[4,5-g]isoquinolin-5(6H)-one
  • MLS000546669
  • SMR000113841
  • 1,3-Dioxolo[4,5-g]isoquinolin-5(6H)-one, 7,8-dihydro-
  • NSC201020
  • Noroxyhydrastinine

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Homo sapiens muscleblind-like splicing regulator 1 Starlite/ChEMBL No references
Bacillus subtilis (strain 168) ATP-dependent Clp protease proteolytic subunit Starlite/ChEMBL No references

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Mycobacterium leprae PROBABLE ATP-DEPENDENT CLP PROTEASE PROTEOLYTIC SUBUNIT 1 CLPP1 (ENDOPEPTIDASE CLP) Get druggable targets OG5_127187 All targets in OG5_127187
Echinococcus multilocularis ATP dependent Clp protease proteolytic subunit Get druggable targets OG5_127187 All targets in OG5_127187
Treponema pallidum ATP-dependent Clp protease proteolytic subunit Get druggable targets OG5_127187 All targets in OG5_127187
Schistosoma japonicum ko:K06275 parvin, putative Get druggable targets OG5_127187 All targets in OG5_127187
Plasmodium knowlesi ATP-dependent Clp protease proteolytic subunit, putative Get druggable targets OG5_127187 All targets in OG5_127187
Plasmodium berghei ATP-dependent Clp protease proteolytic subunit, putative Get druggable targets OG5_127187 All targets in OG5_127187
Brugia malayi Probable ClpP-like protease Get druggable targets OG5_127187 All targets in OG5_127187
Echinococcus multilocularis muscleblind protein 1 Get druggable targets OG5_132352 All targets in OG5_132352
Brugia malayi Muscleblind-like protein Get druggable targets OG5_132352 All targets in OG5_132352
Echinococcus multilocularis peptidase Clp (S14 family) Get druggable targets OG5_127187 All targets in OG5_127187
Mycobacterium tuberculosis Probable ATP-dependent CLP protease proteolytic subunit 2 ClpP2 (endopeptidase CLP 2) Get druggable targets OG5_127187 All targets in OG5_127187
Chlamydia trachomatis ATP-dependent Clp protease proteolytic subunit Get druggable targets OG5_127187 All targets in OG5_127187
Theileria parva ATP-dependent Clp protease proteolytic subunit, putative Get druggable targets OG5_127187 All targets in OG5_127187
Plasmodium vivax ATP-dependent Clp protease proteolytic subunit, putative Get druggable targets OG5_127187 All targets in OG5_127187
Echinococcus granulosus muscleblind protein Get druggable targets OG5_132352 All targets in OG5_132352
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_132352 All targets in OG5_132352
Chlamydia trachomatis ATP-dependent Clp protease proteolytic subunit Get druggable targets OG5_127187 All targets in OG5_127187
Mycobacterium leprae PROBABLE ATP-DEPENDENT CLP PROTEASE PROTEOLYTIC SUBUNIT 2 CLPP2 (ENDOPEPTIDASE CLP 2) Get druggable targets OG5_127187 All targets in OG5_127187
Plasmodium falciparum ATP-dependent Clp protease proteolytic subunit Get druggable targets OG5_127187 All targets in OG5_127187
Mycobacterium ulcerans ATP-dependent Clp protease proteolytic subunit Get druggable targets OG5_127187 All targets in OG5_127187
Mycobacterium ulcerans ATP-dependent Clp protease proteolytic subunit Get druggable targets OG5_127187 All targets in OG5_127187
Toxoplasma gondii ATP-dependent Clp endopeptidase, proteolytic subunit ClpP domain-containing protein Get druggable targets OG5_127187 All targets in OG5_127187
Mycobacterium tuberculosis Probable ATP-dependent CLP protease proteolytic subunit 1 ClpP1 (endopeptidase CLP) Get druggable targets OG5_127187 All targets in OG5_127187
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_127187 All targets in OG5_127187
Theileria parva ATP-dependent Clp protease proteolytic subunit, putative Get druggable targets OG5_127187 All targets in OG5_127187
Echinococcus multilocularis muscleblind protein Get druggable targets OG5_132352 All targets in OG5_132352
Babesia bovis ATP-dependent Clp protease proteolytic subunit 1, putative Get druggable targets OG5_127187 All targets in OG5_127187
Echinococcus granulosus ATP dependent Clp protease proteolytic subunit Get druggable targets OG5_127187 All targets in OG5_127187
Schistosoma mansoni peptidase Clp (S14 family) Get druggable targets OG5_127187 All targets in OG5_127187
Neospora caninum ATP-dependent Clp protease proteolytic subunit, related Get druggable targets OG5_127187 All targets in OG5_127187
Toxoplasma gondii ATP-dependent Clp endopeptidase, proteolytic subunit ClpP domain-containing protein Get druggable targets OG5_127187 All targets in OG5_127187
Wolbachia endosymbiont of Brugia malayi ATP-dependent Clp protease proteolytic subunit Get druggable targets OG5_127187 All targets in OG5_127187
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_132352 All targets in OG5_132352
Schistosoma japonicum ko:K01358 ATP-dependent Clp protease, protease subunit [EC3.4.21.92], putative Get druggable targets OG5_127187 All targets in OG5_127187
Echinococcus granulosus peptidase Clp S14 family Get druggable targets OG5_127187 All targets in OG5_127187
Plasmodium yoelii ATP-dependent Clp protease, proteolytic subunit ClpP, putative Get druggable targets OG5_127187 All targets in OG5_127187
By sequence similarity to non orthologous known druggable targets
Species Potential target Known druggable target Length Alignment span Identity
Onchocerca volvulus Putative V-type proton ATPase subunit F ATP-dependent Clp protease proteolytic subunit   197 aa 194 aa 54.1 %
Babesia bovis ATP-dependent Clp protease proteolytic subunit, putative ATP-dependent Clp protease proteolytic subunit   197 aa 188 aa 41.5 %
Mycobacterium leprae ATP-dependent Clp protease proteolytic subunit 1 ATP-dependent Clp protease proteolytic subunit   197 aa 172 aa 57.0 %
Schistosoma mansoni neuropeptide receptor ATP-dependent Clp protease proteolytic subunit   197 aa 174 aa 20.1 %
Plasmodium knowlesi ATP-dependent Clp protease proteolytic subunit, putative ATP-dependent Clp protease proteolytic subunit   197 aa 189 aa 36.0 %
Chlamydia trachomatis hypothetical protein ATP-dependent Clp protease proteolytic subunit   197 aa 171 aa 22.8 %
Treponema pallidum ATP-dependent Clp protease proteolytic subunit ATP-dependent Clp protease proteolytic subunit   197 aa 186 aa 40.3 %
Plasmodium vivax ATP-dependent Clp protease proteolytic subunit, putative ATP-dependent Clp protease proteolytic subunit   197 aa 189 aa 35.5 %
Plasmodium falciparum ATP-dependent Clp protease proteolytic subunit ATP-dependent Clp protease proteolytic subunit   197 aa 183 aa 36.1 %
Plasmodium yoelii Clp protease ATP-dependent Clp protease proteolytic subunit   197 aa 183 aa 36.6 %
Babesia bovis ATP-dependent Clp protease proteolytic subunit, putative ATP-dependent Clp protease proteolytic subunit   197 aa 188 aa 41.5 %
Plasmodium berghei ATP-dependent Clp protease proteolytic subunit, putative ATP-dependent Clp protease proteolytic subunit   197 aa 180 aa 36.7 %
Obtained from network model

Ranking Plot

Putative Targets List

Species Potential target Raw Global Species
Mycobacterium tuberculosis Carboxylesterase LipT 0.0109 0.027 0.5
Onchocerca volvulus 0.0109 0.027 0.5
Mycobacterium leprae PROBABLE ATP-DEPENDENT CLP PROTEASE PROTEOLYTIC SUBUNIT 2 CLPP2 (ENDOPEPTIDASE CLP 2) 0.0094 0 0.5
Brugia malayi hypothetical protein 0.0109 0.027 0.027
Schistosoma mansoni neuroligin 3 (S09 family) 0.0109 0.027 0.027
Onchocerca volvulus 0.0109 0.027 0.5
Loa Loa (eye worm) hypothetical protein 0.018 0.1555 0.1555
Plasmodium vivax ATP-dependent Clp protease proteolytic subunit, putative 0.0094 0 0.5
Echinococcus granulosus neuroligin 0.0109 0.027 0.027
Schistosoma mansoni family S9 non-peptidase homologue (S09 family) 0.0109 0.027 0.027
Echinococcus multilocularis muscleblind protein 0.018 0.1555 0.1555
Echinococcus granulosus para nitrobenzyl esterase 0.0109 0.027 0.027
Mycobacterium ulcerans carboxylesterase, LipT 0.0109 0.027 1
Loa Loa (eye worm) hypothetical protein 0.0109 0.027 0.027
Schistosoma mansoni family S9 non-peptidase homologue (S09 family) 0.0647 1 1
Plasmodium falciparum ATP-dependent Clp protease proteolytic subunit 0.0094 0 0.5
Echinococcus multilocularis carboxylesterase 5A 0.0647 1 1
Mycobacterium tuberculosis POSSIBLE PARA-NITROBENZYL ESTERASE (FRAGMENT) 0.0109 0.027 0.5
Loa Loa (eye worm) hypothetical protein 0.018 0.1555 0.1555
Echinococcus granulosus family S9 non peptidase ue S09 family 0.0109 0.027 0.027
Loa Loa (eye worm) hypothetical protein 0.0647 1 1
Schistosoma mansoni BC026374 protein (S09 family) 0.0109 0.027 0.027
Onchocerca volvulus 0.0109 0.027 0.5
Loa Loa (eye worm) hypothetical protein 0.0109 0.027 0.027
Trichomonas vaginalis spcc417.12 protein, putative 0.0109 0.027 0.5
Chlamydia trachomatis ATP-dependent Clp protease proteolytic subunit 0.0094 0 0.5
Onchocerca volvulus 0.0109 0.027 0.5
Brugia malayi Carboxylesterase family protein 0.0109 0.027 0.027
Brugia malayi Carboxylesterase family protein 0.0109 0.027 0.027
Echinococcus multilocularis muscleblind protein 1 0.018 0.1555 0.1555
Schistosoma mansoni family S9 non-peptidase homologue (S09 family) 0.0109 0.027 0.027
Echinococcus granulosus carboxylesterase 5A 0.0647 1 1
Schistosoma mansoni gliotactin 0.0109 0.027 0.027
Schistosoma mansoni acetylcholinesterase 0.0109 0.027 0.027
Treponema pallidum ATP-dependent Clp protease proteolytic subunit 0.0094 0 0.5
Echinococcus multilocularis acetylcholinesterase 0.0647 1 1
Onchocerca volvulus 0.0109 0.027 0.5
Loa Loa (eye worm) hypothetical protein 0.0109 0.027 0.027
Loa Loa (eye worm) acetylcholinesterase 1 0.0647 1 1
Echinococcus multilocularis BC026374 protein (S09 family) 0.0109 0.027 0.027
Toxoplasma gondii ATP-dependent Clp endopeptidase, proteolytic subunit ClpP domain-containing protein 0.0094 0 0.5
Toxoplasma gondii ATP-dependent Clp endopeptidase, proteolytic subunit ClpP domain-containing protein 0.0094 0 0.5
Echinococcus granulosus acetylcholinesterase 0.0647 1 1
Loa Loa (eye worm) hypothetical protein 0.0109 0.027 0.027
Schistosoma mansoni family S9 non-peptidase homologue (S09 family) 0.0109 0.027 0.027
Chlamydia trachomatis ATP-dependent Clp protease proteolytic subunit 0.0094 0 0.5
Echinococcus multilocularis family S9 non peptidase ue (S09 family) 0.0109 0.027 0.027
Echinococcus granulosus BC026374 protein S09 family 0.0109 0.027 0.027
Echinococcus granulosus acetylcholinesterase 0.0647 1 1
Echinococcus granulosus muscleblind protein 0.018 0.1555 0.1555
Echinococcus multilocularis para nitrobenzyl esterase 0.0109 0.027 0.027
Loa Loa (eye worm) hypothetical protein 0.0109 0.027 0.027
Brugia malayi Carboxylesterase family protein 0.0647 1 1
Loa Loa (eye worm) hypothetical protein 0.0109 0.027 0.027
Mycobacterium tuberculosis POSSIBLE PARA-NITROBENZYL ESTERASE (FRAGMENT) 0.0109 0.027 0.5
Trichomonas vaginalis carboxylesterase domain containing protein, putative 0.0109 0.027 0.5
Brugia malayi Muscleblind-like protein 0.018 0.1555 0.1555
Brugia malayi Carboxylesterase family protein 0.0109 0.027 0.027
Brugia malayi Carboxylesterase family protein 0.0109 0.027 0.027
Loa Loa (eye worm) hypothetical protein 0.0109 0.027 0.027
Loa Loa (eye worm) hypothetical protein 0.0647 1 1
Wolbachia endosymbiont of Brugia malayi ATP-dependent Clp protease proteolytic subunit 0.0094 0 0.5
Loa Loa (eye worm) carboxylesterase 0.0109 0.027 0.027
Echinococcus multilocularis neuroligin 0.0109 0.027 0.027
Loa Loa (eye worm) carboxylesterase 0.0109 0.027 0.027
Loa Loa (eye worm) carboxylesterase 0.0647 1 1
Echinococcus multilocularis acetylcholinesterase 0.0647 1 1

Activities

Activity type Activity value Assay description Source Reference
Activity (functional) Antimicrobial activity against Candida albicans ATCC 10231 at 1000 ug/ml ChEMBL. No reference
Activity (functional) Antimicrobial activity against Escherichia coli ATCC 9637 at 1000 ug/ml ChEMBL. No reference
Potency (binding) 0.8913 uM PubChem BioAssay. qHTS Assay for Inhibitors of MBNL1-poly(CUG) RNA binding. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 9.285 uM PUBCHEM_BIOASSAY: Primary qHTS for delayed death inhibitors of the malarial parasite plastid, 96 hour incubation. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID488745, AID488752, AID488774, AID504848, AID504850] ChEMBL. No reference
Potency (functional) 19.9526 uM PubChem BioAssay. qHTS Assay for Activators of ClpP. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) = 31.6228 um PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of Human Jumonji Domain Containing 2E (JMJD2E). (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 39.8107 uM PUBCHEM_BIOASSAY: HTS for Inhibitors of HP1-beta Chromodomain Interactions with Methylated Histone Tails. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID488962] ChEMBL. No reference
Potency (functional) = 56.2341 um PUBCHEM_BIOASSAY: qHTS Inhibitors of AmpC Beta-Lactamase (assay with detergent). (Class of assay: confirmatory) [Related pubchem assays: 1002 (Confirmation Concentration-Response Assay for Inhibitors of AmpC Beta-Lactamase (assay with detergent)), 585 (Promiscuous and Specific Inhibitors of AmpC Beta-Lactamase (assay without detergent) - a screen old NIH MLSMR collection), 584 (Promiscuous and Specific Inhibitors of AmpC Beta-Lactamase (assay with detergent) - a screen of the old NIH MLSMR collection), 1003 (Confirmation Cuvette-Based Assay for Inhibitors of AmpC Beta-Lactamase (assay with detergent))] ChEMBL. No reference

Phenotypes

Whole-cell/tissue/organism interactions

Species name Source Reference Is orphan
Plasmodium falciparum ChEMBL23

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.

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