Detailed information for compound 343265

Basic information

Technical information
  • TDR Targets ID: 343265
  • Name: 2-amino-4-(1,3-benzodioxol-5-yl)-7-hydroxy-4H -chromene-3-carbonitrile
  • MW: 308.288 | Formula: C17H12N2O4
  • H donors: 2 H acceptors: 2 LogP: 2.75 Rotable bonds: 1
    Rule of 5 violations (Lipinski): 1
  • SMILES: N#CC1=C(N)Oc2c(C1c1ccc3c(c1)OCO3)ccc(c2)O
  • InChi: 1S/C17H12N2O4/c18-7-12-16(9-1-4-13-15(5-9)22-8-21-13)11-3-2-10(20)6-14(11)23-17(12)19/h1-6,16,20H,8,19H2
  • InChiKey: CZEKQECKTGRWKB-UHFFFAOYSA-N  

Network

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Synonyms

  • 2-amino-4-(1,3-benzodioxol-5-yl)-7-hydroxy-4H-1-benzopyran-3-carbonitrile
  • 2-azanyl-4-(1,3-benzodioxol-5-yl)-7-hydroxy-4H-chromene-3-carbonitrile
  • 2-Amino-4-benzo[1,3]dioxol-5-yl-7-hydroxy-4H-chromene-3-carbonitrile
  • BAS 00673970

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
Trypanosoma cruzi cAMP specific phosphodiesterase, putative 0.0181 0.3378 1
Toxoplasma gondii 3'5'-cyclic nucleotide phosphodiesterase domain-containing protein 0.0337 1 1
Trichomonas vaginalis rod cGMP-specific 3,5-cyclic phosphodiesterase, putative 0.0181 0.3378 1
Trichomonas vaginalis cGMP-dependent 3,5-cyclic phosphodiesterase, putative 0.0181 0.3378 1
Trichomonas vaginalis rod cGMP-specific 3,5-cyclic phosphodiesterase, putative 0.0181 0.3378 1
Echinococcus multilocularis cAMP specific 3',5' cyclic phosphodiesterase 0.028 0.7603 0.7603
Trichomonas vaginalis calcium/calmodulin-dependent 3,5-cyclic nucleotide phosphodiesterase, putative 0.0181 0.3378 1
Trypanosoma cruzi cAMP specific phosphodiesterase, putative 0.0181 0.3378 1
Trichomonas vaginalis conserved hypothetical protein 0.0181 0.3378 1
Giardia lamblia CAMP-specific 3,5-cyclic phosphodiesterase 4B 0.0337 1 0.5
Trypanosoma cruzi cAMP specific phosphodiesterase, putative 0.0181 0.3378 1
Trichomonas vaginalis cone cGMP-specific 3,5-cyclic phosphodiesterase, putative 0.0181 0.3378 1
Trichomonas vaginalis cAMP/cGMP cyclic nucleotide phosphodiesterase, putative 0.0181 0.3378 1
Schistosoma mansoni camp/cgmp cyclic nucleotide phosphodiesterase 0.0181 0.3378 0.3378
Trichomonas vaginalis conserved hypothetical protein 0.0125 0.0982 0.2906
Echinococcus multilocularis cAMP specific 3',5' cyclic phosphodiesterase 0.0337 1 1
Trichomonas vaginalis cyclic nucleotide phosphodiesterase, putative 0.0181 0.3378 1
Trichomonas vaginalis cGMP-specific 3,5-cyclic phosphodiesterase, putative 0.0181 0.3378 1
Trichomonas vaginalis high-affinity cGMP-specific 3,5-cyclic phosphodiesterase, putative 0.0181 0.3378 1
Trichomonas vaginalis high-affinity cGMP-specific 3,5-cyclic phosphodiesterase, putative 0.0181 0.3378 1
Trichomonas vaginalis cone cGMP-specific 3,5-cyclic phosphodiesterase, putative 0.0181 0.3378 1
Trichomonas vaginalis cAMP-specific 3,5-cyclic phosphodiesterase, putative 0.0181 0.3378 1
Echinococcus multilocularis cAMP specific 3',5' cyclic phosphodiesterase 0.0337 1 1
Echinococcus granulosus cAMP specific 3'5' cyclic phosphodiesterase 0.028 0.7603 0.7603
Echinococcus granulosus cAMP specific 3'5' cyclic phosphodiesterase 0.0337 1 1
Loa Loa (eye worm) hypothetical protein 0.0337 1 1
Trichomonas vaginalis cAMP-specific 3,5-cyclic phosphodiesterase, putative 0.0181 0.3378 1
Loa Loa (eye worm) cyclic AMP specific phosphodiesterase PDE4D5A 0.028 0.7603 0.7603
Trichomonas vaginalis cAMP and cAMP-inhibited cGMP 3,5-cyclic phosphodiesterase, putative 0.0136 0.1451 0.4296
Trichomonas vaginalis calcium/calmodulin-dependent 3,5-cyclic nucleotide phosphodiesterase, putative 0.0181 0.3378 1
Trichomonas vaginalis cGMP-specific 3,5-cyclic phosphodiesterase, putative 0.0181 0.3378 1
Trichomonas vaginalis cGMP-inhibited 3,5-cyclic phosphodiesterase, putative 0.0181 0.3378 1
Trichomonas vaginalis cyclic nucleotide phosphodiesterase, putative 0.0181 0.3378 1
Trichomonas vaginalis conserved hypothetical protein 0.0125 0.0982 0.2906
Trichomonas vaginalis calcium/calmodulin-dependent 3,5-cyclic nucleotide phosphodiesterase, putative 0.0181 0.3378 1
Trichomonas vaginalis high-affinity cGMP-specific 3,5-cyclic phosphodiesterase, putative 0.0181 0.3378 1
Schistosoma mansoni camp-specific 35-cyclic phosphodiesterase 0.0337 1 1
Echinococcus multilocularis dual 3',5' cyclic AMP and GMP phosphodiesterase 0.0181 0.3378 0.3378
Trichomonas vaginalis calcium/calmodulin-dependent 3,5-cyclic nucleotide phosphodiesterase, putative 0.0181 0.3378 1
Trichomonas vaginalis cAMP-specific phosphodiesterase, putative 0.0181 0.3378 1
Trichomonas vaginalis conserved hypothetical protein 0.0125 0.0982 0.2906
Trypanosoma brucei cAMP-specific phosphodiesterase 0.0181 0.3378 0.5
Trichomonas vaginalis high-affinity cGMP-specific 3,5-cyclic phosphodiesterase, putative 0.0181 0.3378 1
Trichomonas vaginalis cyclic nucleotide phosphodiesterase, putative 0.0181 0.3378 1
Echinococcus granulosus dual 3'5' cyclic AMP and GMP phosphodiesterase 0.0181 0.3378 0.3378
Trichomonas vaginalis cAMP-specific phosphodiesterase, putative 0.0181 0.3378 1
Trypanosoma brucei cAMP-specific phosphodiesterase 0.0181 0.3378 0.5
Trichomonas vaginalis calcium/calmodulin-dependent 3,5-cyclic nucleotide phosphodiesterase, putative 0.0181 0.3378 1
Trichomonas vaginalis cAMP-specific phosphodiesterase, putative 0.0136 0.1451 0.4296
Trichomonas vaginalis cGMP-specific 3,5-cyclic phosphodiesterase, putative 0.0181 0.3378 1
Brugia malayi Probable 3',5'-cyclic phosphodiesterase R153.1, putative 0.028 0.7603 1
Trichomonas vaginalis rod cGMP-specific 3,5-cyclic phosphodiesterase, putative 0.0181 0.3378 1
Trichomonas vaginalis cGMP-dependent 3,5-cyclic phosphodiesterase, putative 0.0181 0.3378 1

Activities

Activity type Activity value Assay description Source Reference
MIC (functional) Antibacterial activity against Escherichia coli (ATCC 25922) at concentration 16.0 uM/ml in dimethylformamide, + = resistant ChEMBL. 16040241
MIC (functional) Antibacterial activity against Escherichia coli (ATCC 25922) at concentration 2.0 uM/ml in dimethylformamide, + = resistant ChEMBL. 16040241
MIC (functional) Antibacterial activity against Escherichia coli (ATCC 25922) at concentration 1.0 uM/ml in dimethylformamide, + = resistant ChEMBL. 16040241
MIC (functional) Antibacterial activity against Escherichia coli (ATCC 25922) at concentration 8.0 uM/ml in dimethylformamide, + = resistant ChEMBL. 16040241
MIC (functional) Antibacterial activity against Escherichia coli (ATCC 25922) at concentration 4.0 uM/ml in dimethylformamide, + = resistant ChEMBL. 16040241
MIC (functional) Antibacterial activity against Escherichia coli (ATCC 25922) at concentration 64.0 uM/ml in dimethylformamide, + = resistant ChEMBL. 16040241
MIC (functional) Antibacterial activity against Escherichia coli (ATCC 25922) at concentration 0.5 uM/ml in dimethylformamide, + = resistant ChEMBL. 16040241
MIC (functional) Antibacterial activity against Escherichia coli (ATCC 25922) at concentration 128.0 uM/ml in dimethylformamide, - = susceptible ChEMBL. 16040241
MIC (functional) Antibacterial activity against Escherichia coli (ATCC 25922) at concentration 32.0 uM/ml in dimethylformamide, + = resistant ChEMBL. 16040241
MIC (functional) 0 Antibacterial activity against Escherichia coli (ATCC 25922) at concentration 0.5 uM/ml in dimethylformamide, + = resistant ChEMBL. 16040241
MIC (functional) 0 Antibacterial activity against Pseudomonas aeruginosa (ATCC 27853) at concentration 0.5 uM/ml in dimethylformamide, + = resistant ChEMBL. 16040241
MIC (functional) 0 Antibacterial activity against Pseudomonas aeruginosa (ATCC 27853) at concentration 1.0 uM/ml in dimethylformamide, + = resistant ChEMBL. 16040241
MIC (functional) 0 Antibacterial activity against Pseudomonas aeruginosa (ATCC 27853) at concentration 2.0 uM/ml in dimethylformamide, + = resistant ChEMBL. 16040241
MIC (functional) 0 Antibacterial activity against Pseudomonas aeruginosa (ATCC 27853) at concentration 4.0 uM/ml in dimethylformamide, + = resistant ChEMBL. 16040241
MIC (functional) 0 Antibacterial activity against Pseudomonas aeruginosa (ATCC 27853) at concentration 8.0 uM/ml in dimethylformamide, + = resistant ChEMBL. 16040241
MIC (functional) 0 Antibacterial activity against Pseudomonas aeruginosa (ATCC 27853) at concentration 16.0 uM/ml in dimethylformamide, + = resistant ChEMBL. 16040241
MIC (functional) 0 Antibacterial activity against Pseudomonas aeruginosa (ATCC 27853) at concentration 32.0 uM/ml in dimethylformamide, + = resistant ChEMBL. 16040241
MIC (functional) - 0 Antibacterial activity against Pseudomonas aeruginosa (ATCC 27853) at concentration 64.0 uM/ml in dimethylformamide, - = susceptible ChEMBL. 16040241
MIC (functional) - 0 Antibacterial activity against Pseudomonas aeruginosa (ATCC 27853) at concentration 128.0 uM/ml in dimethylformamide, - = susceptible ChEMBL. 16040241
MIC (functional) 0 Antibacterial activity against Staphylococcus aureus (ATCC 25923) at concentration 0.5 uM/ml in dimethylformamide, + = resistant ChEMBL. 16040241
MIC (functional) 0 Antibacterial activity against Escherichia coli (ATCC 25922) at concentration 1.0 uM/ml in dimethylformamide, + = resistant ChEMBL. 16040241
MIC (functional) 0 Antibacterial activity against Staphylococcus aureus (ATCC 25923) at concentration 1.0 uM/ml in dimethylformamide, + = resistant ChEMBL. 16040241
MIC (functional) 0 Antibacterial activity against Staphylococcus aureus (ATCC 25923) at concentration 2.0 uM/ml in dimethylformamide, + = resistant ChEMBL. 16040241
MIC (functional) 0 Antibacterial activity against Staphylococcus aureus (ATCC 25923) at concentration 4.0 uM/ml in dimethylformamide, + = resistant ChEMBL. 16040241
MIC (functional) 0 Antibacterial activity against Staphylococcus aureus (ATCC 25923) at concentration 8.0 uM/ml in dimethylformamide, + = resistant ChEMBL. 16040241
MIC (functional) 0 Antibacterial activity against Staphylococcus aureus (ATCC 25923) at concentration 16.0 uM/ml in dimethylformamide, + = resistant ChEMBL. 16040241
MIC (functional) 0 Antibacterial activity against Staphylococcus aureus (ATCC 25923) at concentration 32.0 uM/ml in dimethylformamide, + = resistant ChEMBL. 16040241
MIC (functional) 0 Antibacterial activity against Staphylococcus aureus (ATCC 25923) at concentration 64.0 uM/ml in dimethylformamide, + = resistant ChEMBL. 16040241
MIC (functional) - 0 Antibacterial activity against Staphylococcus aureus (ATCC 25923) at concentration 128.0 uM/ml in dimethylformamide, - = susceptible ChEMBL. 16040241
MIC (functional) 0 Antibacterial activity against Escherichia coli (ATCC 25922) at concentration 2.0 uM/ml in dimethylformamide, + = resistant ChEMBL. 16040241
MIC (functional) 0 Antibacterial activity against Escherichia coli (ATCC 25922) at concentration 4.0 uM/ml in dimethylformamide, + = resistant ChEMBL. 16040241
MIC (functional) 0 Antibacterial activity against Escherichia coli (ATCC 25922) at concentration 8.0 uM/ml in dimethylformamide, + = resistant ChEMBL. 16040241
MIC (functional) 0 Antibacterial activity against Escherichia coli (ATCC 25922) at concentration 16.0 uM/ml in dimethylformamide, + = resistant ChEMBL. 16040241
MIC (functional) 0 Antibacterial activity against Escherichia coli (ATCC 25922) at concentration 32.0 uM/ml in dimethylformamide, + = resistant ChEMBL. 16040241
MIC (functional) 0 Antibacterial activity against Escherichia coli (ATCC 25922) at concentration 64.0 uM/ml in dimethylformamide, + = resistant ChEMBL. 16040241
MIC (functional) - 0 Antibacterial activity against Escherichia coli (ATCC 25922) at concentration 128.0 uM/ml in dimethylformamide, - = susceptible ChEMBL. 16040241

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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