Detailed information for compound 81527

Basic information

Technical information
  • TDR Targets ID: 81527
  • Name: 5-(4-aminophenyl)-8-oxo-N-propyl-[1,3]dioxolo [4,5-g]phthalazine-7-carboxamide
  • MW: 366.371 | Formula: C19H18N4O4
  • H donors: 2 H acceptors: 2 LogP: 3.05 Rotable bonds: 5
    Rule of 5 violations (Lipinski): 1
  • SMILES: CCCNC(=O)n1nc(c2ccc(cc2)N)c2c(c1=O)cc1c(c2)OCO1
  • InChi: 1S/C19H18N4O4/c1-2-7-21-19(25)23-18(24)14-9-16-15(26-10-27-16)8-13(14)17(22-23)11-3-5-12(20)6-4-11/h3-6,8-9H,2,7,10,20H2,1H3,(H,21,25)
  • InChiKey: DZDHBRGWZACXDB-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

  • 5-(4-aminophenyl)-8-keto-N-propyl-[1,3]dioxolo[4,5-g]phthalazine-7-carboxamide

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
Onchocerca volvulus 0.0077 0.7347 1
Echinococcus granulosus jun protein 0.0098 1 1
Echinococcus multilocularis jun protein 0.0098 1 1
Schistosoma mansoni jun-related protein 0.008 0.7685 1
Echinococcus multilocularis Basic leucine zipper (bZIP) transcription factor 0.0098 1 1
Schistosoma mansoni hypothetical protein 0.008 0.7685 1
Brugia malayi hypothetical protein 0.0077 0.7347 0.7347
Echinococcus granulosus Basic leucine zipper bZIP transcription factor 0.0098 1 1
Loa Loa (eye worm) hypothetical protein 0.0095 0.9661 1

Activities

Activity type Activity value Assay description Source Reference
clogP = 2.48 Calculated partition coefficient (clogP) (PALLAS 2.0) ChEMBL. 10956193
ED50 (functional) = 6.82 uM In vivo anticonvulsant activity was measured as median effective dose required to prevent tonic phase of seizure in DBA/2 mice ChEMBL. 15027880
ED50 (functional) = 6.82 uM In vivo anticonvulsant activity was measured as median effective dose required to prevent tonic phase of seizure in DBA/2 mice ChEMBL. 15027880
ED50 (functional) = 15.8 uM In vivo anticonvulsant activity was measured as median effective dose required to prevent clonic phase of seizure in DBA/2 mice ChEMBL. 15027880
ED50 (functional) = 15.8 uM In vivo anticonvulsant activity was measured as median effective dose required to prevent clonic phase of seizure in DBA/2 mice ChEMBL. 15027880
ED50 (functional) = 6.82 uM kg-1 Anticonvulsant activity against audiogenic seizures in DBA/2 mice expressed as ED50 values in tonic phase ChEMBL. 10956193
ED50 (functional) = 15.8 uM kg-1 Anticonvulsant activity against audiogenic seizures in DBA/2 mice expressed as ED50 values in clonic phase ChEMBL. 10956193
Protective index (ADMET) = 3.3 Ratio between TD50 and ED50 from the clonic phase of audiogenic seizures ChEMBL. 10956193
Rm = -0.126 Relative lipophilicity of the compound expressed as Rm value ChEMBL. 10956193
TD50 (ADMET) = 52.8 uM kg-1 Toxic dose of the compound was determined in DBA/2 mice ChEMBL. 10956193

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

2 literature references were collected for this gene.

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