Detailed information for compound 1307299

Basic information

Technical information
  • TDR Targets ID: 1307299
  • Name: 6-amino-1'-ethyl-3-(methoxymethyl)-2'-oxospir o[2H-pyrano[6,5-c]pyrazole-4,3'-indole]-5-car bonitrile
  • MW: 351.359 | Formula: C18H17N5O3
  • H donors: 2 H acceptors: 3 LogP: 0.81 Rotable bonds: 3
    Rule of 5 violations (Lipinski): 1
  • SMILES: COCc1n[nH]c2c1C1(C(=C(O2)N)C#N)c2ccccc2N(C1=O)CC
  • InChi: 1S/C18H17N5O3/c1-3-23-13-7-5-4-6-10(13)18(17(23)24)11(8-19)15(20)26-16-14(18)12(9-25-2)21-22-16/h4-7H,3,9,20H2,1-2H3,(H,21,22)
  • InChiKey: FJRMTJLFHXLZPP-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

  • 6-amino-1'-ethyl-3-(methoxymethyl)-2'-oxo-spiro[2H-pyrano[6,5-c]pyrazole-4,3'-indoline]-5-carbonitrile
  • 6-amino-1'-ethyl-3-(methoxymethyl)-2'-oxo-5-spiro[2H-pyrano[6,5-c]pyrazole-4,3'-indoline]carbonitrile
  • 6-amino-1'-ethyl-2'-keto-3-(methoxymethyl)spiro[2H-pyrano[6,5-c]pyrazole-4,3'-indoline]-5-carbonitrile
  • 6-amino-1'-ethyl-3-(methoxymethyl)-2'-oxo-spiro[2H-pyrano[6,5-c]pyrazole-4,3'-indole]-5-carbonitrile
  • 6'-amino-1-ethyl-3'-(methoxymethyl)-2-oxo-1,2-dihydro-2'H-spiro[indole-3,4'-pyrano[2,3-c]pyrazole]-5'-carbonitrile
  • MLS000050679
  • SMR000078139
  • BAS 07418237
  • STOCK4S-52171
  • AM-807/41931247

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
Giardia lamblia CAMP-specific 3,5-cyclic phosphodiesterase 4B 0.0086 0.0333 0.5
Trypanosoma cruzi cAMP specific phosphodiesterase, putative 0.0086 0.0333 1
Trichomonas vaginalis cGMP-dependent 3,5-cyclic phosphodiesterase, putative 0.0086 0.0333 1
Trypanosoma cruzi hypothetical protein, conserved 0.0086 0.0333 1
Trichomonas vaginalis rod cGMP-specific 3,5-cyclic phosphodiesterase, putative 0.0086 0.0333 1
Plasmodium falciparum phosphodiesterase delta, putative 0.0086 0.0333 0.5
Schistosoma mansoni camp-specific 35-cyclic phosphodiesterase 0.0086 0.0333 0.0196
Trypanosoma cruzi cAMP phosphodiesterase A, putative 0.0086 0.0333 1
Trichomonas vaginalis conserved hypothetical protein 0.0086 0.0333 1
Brugia malayi Probable 3',5'-cyclic phosphodiesterase R153.1, putative 0.0086 0.0333 0.0333
Brugia malayi Probable 3',5'-cyclic phosphodiesterase T04D3.3, putative 0.0086 0.0333 0.0333
Trichomonas vaginalis cone cGMP-specific 3,5-cyclic phosphodiesterase, putative 0.0086 0.0333 1
Toxoplasma gondii 3'5'-cyclic nucleotide phosphodiesterase domain-containing protein 0.0086 0.0333 0.5
Leishmania major cAMP phosphodiesterase A, putative;with=GeneDB:LinJ18_V3.1100 0.0086 0.0333 1
Trichomonas vaginalis cAMP-specific phosphodiesterase, putative 0.0086 0.0333 1
Chlamydia trachomatis two component regulatory system sensor histidine kinase 0.0065 0.014 0.5
Echinococcus multilocularis cAMP specific 3',5' cyclic phosphodiesterase 0.0086 0.0333 0.4112
Plasmodium vivax phosphodiesterase gamma, putative 0.0086 0.0333 0.5
Trypanosoma brucei cAMP phosphodiesterase A, putative 0.0086 0.0333 0.5
Trichomonas vaginalis high-affinity cGMP-specific 3,5-cyclic phosphodiesterase, putative 0.0086 0.0333 1
Toxoplasma gondii 3'5'-cyclic nucleotide phosphodiesterase domain-containing protein 0.0086 0.0333 0.5
Loa Loa (eye worm) aryl Hydrocarbon receptor Associated protein family member 0.0065 0.014 0.014
Schistosoma mansoni high-affinity cgmp-specific 35-cyclic phosphodiesterase 0.0086 0.0333 0.0196
Brugia malayi hypothetical protein 0.0065 0.014 0.014
Leishmania major cAMP-specific phosphodiesterase, putative 0.0086 0.0333 1
Toxoplasma gondii 3'5'-cyclic nucleotide phosphodiesterase domain-containing protein 0.0086 0.0333 0.5
Trichomonas vaginalis calcium/calmodulin-dependent 3',5'-cyclic nucleotide phosphodiesterase, putative 0.0086 0.0333 1
Schistosoma mansoni high-affinity cgmp-specific 35-cyclic phosphodiesterase 0.0086 0.0333 0.0196
Trypanosoma cruzi cAMP specific phosphodiesterase, putative 0.0086 0.0333 1
Echinococcus multilocularis high affinity cgmp specific 3' 5' cyclic 0.0086 0.0333 0.4112
Schistosoma mansoni lipoxygenase 0.0081 0.0292 0.0155
Plasmodium falciparum 3',5'-cyclic nucleotide phosphodiesterase, putative 0.0086 0.0333 0.5
Echinococcus granulosus calcium:calmodulin dependent 3'5' cyclic 0.0086 0.0333 0.4112
Toxoplasma gondii 3'5'-cyclic nucleotide phosphodiesterase domain-containing protein 0.0086 0.0333 0.5
Trypanosoma cruzi hypothetical protein, conserved 0.0086 0.0333 1
Trichomonas vaginalis cGMP-dependent 3,5-cyclic phosphodiesterase, putative 0.0086 0.0333 1
Echinococcus granulosus cAMP and cAMP inhibited cGMP 3'5' cyclic 0.0086 0.0333 0.4112
Echinococcus granulosus cAMP specific 3'5' cyclic phosphodiesterase 0.0086 0.0333 0.4112
Trypanosoma cruzi cAMP specific phosphodiesterase, putative 0.0086 0.0333 1
Plasmodium falciparum cGMP-specific phosphodiesterase 0.0086 0.0333 0.5
Trichomonas vaginalis high-affinity cGMP-specific 3,5-cyclic phosphodiesterase, putative 0.0086 0.0333 1
Echinococcus multilocularis arachidonate 5 lipoxygenase 0.0116 0.061 1
Trypanosoma brucei cAMP-specific phosphodiesterase 0.0086 0.0333 0.5
Toxoplasma gondii 3'5'-cyclic nucleotide phosphodiesterase domain-containing protein 0.0086 0.0333 0.5
Echinococcus multilocularis dual 3',5' cyclic AMP and GMP phosphodiesterase 0.0086 0.0333 0.4112
Trypanosoma cruzi cAMP specific phosphodiesterase, putative 0.0086 0.0333 1
Brugia malayi PAS domain containing protein 0.0065 0.014 0.014
Plasmodium falciparum cGMP-specific phosphodiesterase 0.0086 0.0333 0.5
Leishmania major hypothetical protein, conserved 0.0086 0.0333 1
Toxoplasma gondii 3'5'-cyclic nucleotide phosphodiesterase domain-containing protein 0.0086 0.0333 0.5
Loa Loa (eye worm) hypothetical protein 0.0086 0.0333 0.0333
Echinococcus multilocularis calcium:calmodulin dependent 3',5' cyclic 0.0086 0.0333 0.4112
Trichomonas vaginalis calcium/calmodulin-dependent 3,5-cyclic nucleotide phosphodiesterase, putative 0.0086 0.0333 1
Trichomonas vaginalis high-affinity cGMP-specific 3,5-cyclic phosphodiesterase, putative 0.0086 0.0333 1
Trichomonas vaginalis cyclic nucleotide phosphodiesterase, putative 0.0086 0.0333 1
Toxoplasma gondii 3'5'-cyclic nucleotide phosphodiesterase domain-containing protein 0.0086 0.0333 0.5
Trypanosoma brucei 3', 5'-cyclic nucleotide phosphodiesterase, putative 0.0086 0.0333 0.5
Trypanosoma cruzi hypothetical protein, conserved 0.0086 0.0333 1
Mycobacterium leprae Possible regulatory protein 0.0065 0.014 0.5
Brugia malayi Probable 3',5'-cyclic phosphodiesterase C32E12.2, putative 0.0086 0.0333 0.0333
Trypanosoma cruzi cAMP phosphodiesterase A, putative 0.0086 0.0333 1
Trichomonas vaginalis cone cGMP-specific 3,5-cyclic phosphodiesterase, putative 0.0086 0.0333 1
Trichomonas vaginalis cGMP-dependent 3,5-cyclic phosphodiesterase, putative 0.0086 0.0333 1
Echinococcus granulosus dual 3'5' cyclic AMP and GMP phosphodiesterase 0.0086 0.0333 0.4112
Toxoplasma gondii 3'5'-cyclic nucleotide phosphodiesterase domain-containing protein 0.0086 0.0333 0.5
Toxoplasma gondii 3'5'-cyclic nucleotide phosphodiesterase domain-containing protein 0.0086 0.0333 0.5
Trypanosoma brucei hypothetical protein, conserved 0.0086 0.0333 0.5
Echinococcus multilocularis cAMP and cAMP inhibited cGMP 3',5' cyclic 0.0086 0.0333 0.4112
Echinococcus multilocularis calcium:calmodulin dependent 3',5' cyclic 0.0086 0.0333 0.4112
Toxoplasma gondii 3'5'-cyclic nucleotide phosphodiesterase domain-containing protein 0.0086 0.0333 0.5
Trichomonas vaginalis cAMP and cAMP-inhibited cGMP 3,5-cyclic phosphodiesterase, putative 0.0086 0.0333 1
Toxoplasma gondii 3'5'-cyclic nucleotide phosphodiesterase domain-containing protein 0.0086 0.0333 0.5
Trichomonas vaginalis cyclic nucleotide phosphodiesterase, putative 0.0086 0.0333 1
Echinococcus granulosus high affinity cAMP specific 3'5' cyclic 0.0086 0.0333 0.4112
Loa Loa (eye worm) PDE1B protein 0.0086 0.0333 0.0333
Leishmania major hypothetical protein, conserved 0.0086 0.0333 1
Echinococcus granulosus high affinity cgmp specific 3' 5' cyclic 0.0086 0.0333 0.4112
Echinococcus granulosus calcium:calmodulin dependent 3'5' cyclic 0.0086 0.0333 0.4112
Trichomonas vaginalis conserved hypothetical protein 0.0086 0.0333 1
Schistosoma mansoni cgmp-dependent 35-cyclic phosphodiesterase 0.0086 0.0333 0.0196
Toxoplasma gondii 3'5'-cyclic nucleotide phosphodiesterase domain-containing protein 0.0086 0.0333 0.5
Trypanosoma brucei cAMP-specific phosphodiesterase, putative 0.0086 0.0333 0.5
Schistosoma mansoni camp-specific 35-cyclic phosphodiesterase 0.0086 0.0333 0.0196
Plasmodium falciparum 3',5'-cyclic nucleotide phosphodiesterase, putative 0.0086 0.0333 0.5
Plasmodium vivax 3',5'-cyclic nucleotide phosphodiesterase, putative 0.0086 0.0333 0.5
Plasmodium vivax 3',5'-cyclic nucleotide phosphodiesterase, putative 0.0086 0.0333 0.5
Giardia lamblia hypothetical protein 0.0086 0.0333 0.5
Trypanosoma cruzi hypothetical protein, conserved 0.0086 0.0333 1
Trichomonas vaginalis cGMP-dependent 3,5-cyclic phosphodiesterase, putative 0.0086 0.0333 1
Plasmodium falciparum phosphodiesterase gamma, putative 0.0086 0.0333 0.5
Trichomonas vaginalis calcium/calmodulin-dependent 3,5-cyclic nucleotide phosphodiesterase, putative 0.0086 0.0333 1
Trichomonas vaginalis high-affinity cGMP-specific 3,5-cyclic phosphodiesterase, putative 0.0086 0.0333 1
Loa Loa (eye worm) hypothetical protein 0.0086 0.0333 0.0333
Trichomonas vaginalis cGMP-specific 3,5-cyclic phosphodiesterase, putative 0.0086 0.0333 1
Trichomonas vaginalis cyclic nucleotide phosphodiesterase, putative 0.0086 0.0333 1
Trichomonas vaginalis high-affinity cGMP-specific 3,5-cyclic phosphodiesterase, putative 0.0086 0.0333 1
Loa Loa (eye worm) hypothetical protein 0.0065 0.014 0.014
Trichomonas vaginalis cGMP-inhibited 3,5-cyclic phosphodiesterase, putative 0.0086 0.0333 1
Trichomonas vaginalis cAMP-specific 3,5-cyclic phosphodiesterase, putative 0.0086 0.0333 1
Loa Loa (eye worm) calcium/calmodulin-stimulated cyclic nucleotide phosphodiesterase 0.1149 1 1
Trichomonas vaginalis cGMP-specific 3,5-cyclic phosphodiesterase, putative 0.0086 0.0333 1
Trichomonas vaginalis calcium/calmodulin-dependent 3,5-cyclic nucleotide phosphodiesterase, putative 0.0086 0.0333 1
Trichomonas vaginalis high-affinity cGMP-specific 3,5-cyclic phosphodiesterase, putative 0.0086 0.0333 1
Trichomonas vaginalis rod cGMP-specific 3,5-cyclic phosphodiesterase, putative 0.0086 0.0333 1
Trichomonas vaginalis cGMP-inhibited 3,5-cyclic phosphodiesterase, putative 0.0086 0.0333 1
Toxoplasma gondii 3'5'-cyclic nucleotide phosphodiesterase domain-containing protein 0.0086 0.0333 0.5
Schistosoma mansoni camp-specific 35-cyclic phosphodiesterase 0.0086 0.0333 0.0196
Toxoplasma gondii 3'5'-cyclic nucleotide phosphodiesterase domain-containing protein 0.0086 0.0333 0.5
Loa Loa (eye worm) hypothetical protein 0.1063 0.922 0.922
Onchocerca volvulus 0.0065 0.014 0.5
Toxoplasma gondii 3'5'-cyclic nucleotide phosphodiesterase domain-containing protein 0.0086 0.0333 0.5
Schistosoma mansoni camp/cgmp cyclic nucleotide phosphodiesterase 0.0086 0.0333 0.0196
Trichomonas vaginalis cAMP-specific 3,5-cyclic phosphodiesterase, putative 0.0086 0.0333 1
Trichomonas vaginalis high-affinity cGMP-specific 3,5-cyclic phosphodiesterase, putative 0.0086 0.0333 1
Trichomonas vaginalis cAMP-specific phosphodiesterase, putative 0.0086 0.0333 1
Echinococcus multilocularis cAMP specific 3',5' cyclic phosphodiesterase 0.0086 0.0333 0.4112
Echinococcus multilocularis high affinity cAMP specific 3',5' cyclic 0.0086 0.0333 0.4112
Trichomonas vaginalis conserved hypothetical protein 0.0086 0.0333 1
Trypanosoma cruzi cAMP-specific phosphodiesterase, putative 0.0086 0.0333 1
Schistosoma mansoni high-affinity cgmp-specific 35-cyclic phosphodiesterase 0.0086 0.0333 0.0196
Schistosoma mansoni calcium/calmodulin-dependent 35-cyclic nucleotide phosphodiesterase 0.0086 0.0333 0.0196
Trichomonas vaginalis cyclic nucleotide phosphodiesterase, putative 0.0086 0.0333 1
Brugia malayi 3'5'-cyclic nucleotide phosphodiesterase family protein 0.0086 0.0333 0.0333
Toxoplasma gondii 3'5'-cyclic nucleotide phosphodiesterase domain-containing protein 0.0086 0.0333 0.5
Trypanosoma cruzi hypothetical protein, conserved 0.0086 0.0333 1
Loa Loa (eye worm) hypothetical protein 0.0086 0.0333 0.0333
Toxoplasma gondii 3'5'-cyclic nucleotide phosphodiesterase domain-containing protein 0.0086 0.0333 0.5
Trichomonas vaginalis rod cGMP-specific 3,5-cyclic phosphodiesterase, putative 0.0086 0.0333 1
Echinococcus granulosus cAMP specific 3'5' cyclic phosphodiesterase 0.0086 0.0333 0.4112
Trichomonas vaginalis cGMP-specific 3,5-cyclic phosphodiesterase, putative 0.0086 0.0333 1
Loa Loa (eye worm) hypothetical protein 0.1063 0.922 0.922
Trichomonas vaginalis calcium/calmodulin-dependent 3,5-cyclic nucleotide phosphodiesterase, putative 0.0086 0.0333 1
Trichomonas vaginalis cAMP/cGMP cyclic nucleotide phosphodiesterase, putative 0.0086 0.0333 1
Trypanosoma cruzi hypothetical protein, conserved 0.0086 0.0333 1
Trichomonas vaginalis cAMP and cAMP-inhibited cGMP 3,5-cyclic phosphodiesterase, putative 0.0086 0.0333 1
Trypanosoma brucei 3', 5'-cyclic nucleotide phosphodiesterase, putative 0.0086 0.0333 0.5
Trichomonas vaginalis cAMP-specific phosphodiesterase, putative 0.0086 0.0333 1
Trypanosoma cruzi cyclic nucleotide phosphodiesterase 0.0086 0.0333 1
Giardia lamblia Hypothetical protein 0.0086 0.0333 0.5
Trichomonas vaginalis cyclic nucleotide phosphodiesterase, putative 0.0086 0.0333 1
Brugia malayi 3'5'-cyclic nucleotide phosphodiesterase family protein 0.0086 0.0333 0.0333
Trichomonas vaginalis calcium/calmodulin-dependent 3,5-cyclic nucleotide phosphodiesterase, putative 0.0086 0.0333 1
Schistosoma mansoni camp-specific cyclic nucleotide phosphodiesterase 0.1149 1 1
Trichomonas vaginalis high-affinity cGMP-specific 3,5-cyclic phosphodiesterase, putative 0.0086 0.0333 1
Loa Loa (eye worm) hypothetical protein 0.1149 1 1
Echinococcus granulosus arachidonate 5 lipoxygenase 0.0116 0.061 1
Trichomonas vaginalis calcium/calmodulin-dependent 3,5-cyclic nucleotide phosphodiesterase, putative 0.0086 0.0333 1
Loa Loa (eye worm) hypothetical protein 0.1063 0.922 0.922
Plasmodium vivax cyclic nucleotide phosphodiesterase, putative 0.0086 0.0333 0.5
Loa Loa (eye worm) hypothetical protein 0.0065 0.014 0.014
Toxoplasma gondii 3'5'-cyclic nucleotide phosphodiesterase domain-containing protein 0.0086 0.0333 0.5
Schistosoma mansoni camp-specific 35-cyclic phosphodiesterase 0.0086 0.0333 0.0196
Schistosoma mansoni lipoxygenase 0.0116 0.061 0.0477
Trypanosoma brucei cAMP-specific phosphodiesterase 0.0086 0.0333 0.5
Trichomonas vaginalis calcium/calmodulin-dependent 3,5-cyclic nucleotide phosphodiesterase, putative 0.0086 0.0333 1

Activities

Activity type Activity value Assay description Source Reference
Potency (functional) 11.6891 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) = 35.4813 um PUBCHEM_BIOASSAY: qHTS for inhibitors of ROR gamma transcriptional activity. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) = 89.1251 um PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of DNA Polymerase Beta. (Class of assay: confirmatory) 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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