Detailed information for compound 2072345

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 346.424 | Formula: C18H26N4O3
  • H donors: 1 H acceptors: 2 LogP: 0.47 Rotable bonds: 7
    Rule of 5 violations (Lipinski): 1
  • SMILES: CN(C1CCN(C1=O)c1ccccc1)C(=O)NCCN1CCOCC1
  • InChi: 1S/C18H26N4O3/c1-20(18(24)19-8-10-21-11-13-25-14-12-21)16-7-9-22(17(16)23)15-5-3-2-4-6-15/h2-6,16H,7-14H2,1H3,(H,19,24)
  • InChiKey: LRRCMQOIYWENEY-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

No synonyms found for this compound

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 cGMP-specific 3,5-cyclic phosphodiesterase, putative 0.0016 0 0.5
Echinococcus multilocularis multidrug resistance associated protein 7 0.0065 0.1335 0.444
Trypanosoma brucei multidrug resistance-associated protein, putative 0.0065 0.1335 1
Schistosoma mansoni multidrug resistance protein 0.0065 0.1335 0.444
Leishmania major ABC-thiol transporter 0.0065 0.1335 1
Trichomonas vaginalis high-affinity cGMP-specific 3,5-cyclic phosphodiesterase, putative 0.0016 0 0.5
Trichomonas vaginalis calcium/calmodulin-dependent 3,5-cyclic nucleotide phosphodiesterase, putative 0.0016 0 0.5
Giardia lamblia CAMP-specific 3,5-cyclic phosphodiesterase 4B 0.0128 0.3007 1
Trichomonas vaginalis cAMP-specific phosphodiesterase, putative 0.0016 0 0.5
Leishmania major ATP-binding cassette protein subfamily C, member 1, putative 0.0065 0.1335 1
Loa Loa (eye worm) hypothetical protein 0.0388 1 1
Schistosoma mansoni multidrug resistance protein 0.0065 0.1335 0.444
Giardia lamblia Multidrug resistance-associated protein 1 0.0065 0.1321 0.4393
Loa Loa (eye worm) RNA binding protein 0.0073 0.1536 0.1536
Trichomonas vaginalis cAMP-specific phosphodiesterase, putative 0.0016 0 0.5
Schistosoma mansoni tar DNA-binding protein 0.0073 0.1536 0.5107
Entamoeba histolytica ABC transporter, putative 0.0065 0.1335 0.5
Schistosoma mansoni multidrug resistance protein 0.0065 0.1335 0.444
Loa Loa (eye worm) hypothetical protein 0.0065 0.1335 0.1335
Schistosoma mansoni tar DNA-binding protein 0.0073 0.1536 0.5107
Toxoplasma gondii ABC transporter transmembrane region domain-containing protein 0.0065 0.1335 0.1335
Schistosoma mansoni tar DNA-binding protein 0.0073 0.1536 0.5107
Entamoeba histolytica ATP-binding cassette protein, putative 0.0065 0.1335 0.5
Entamoeba histolytica ATP-binding cassette protein, putative 0.0065 0.1335 0.5
Trichomonas vaginalis calcium/calmodulin-dependent 3,5-cyclic nucleotide phosphodiesterase, putative 0.0016 0 0.5
Loa Loa (eye worm) cytochrome P450 family protein 0.0034 0.0499 0.0499
Plasmodium falciparum cGMP-specific phosphodiesterase 0.0016 0 0.5
Echinococcus granulosus multidrug resistance associated protein 7 0.0065 0.1335 0.444
Trichomonas vaginalis cone cGMP-specific 3,5-cyclic phosphodiesterase, putative 0.0016 0 0.5
Onchocerca volvulus 0.0031 0.0414 0.5
Trichomonas vaginalis calcium/calmodulin-dependent 3,5-cyclic nucleotide phosphodiesterase, putative 0.0016 0 0.5
Trichomonas vaginalis high-affinity cGMP-specific 3,5-cyclic phosphodiesterase, putative 0.0016 0 0.5
Trypanosoma brucei multidrug resistance-associated protein, putative 0.0065 0.1335 1
Loa Loa (eye worm) hypothetical protein 0.0031 0.0414 0.0414
Leishmania major ATP-binding cassette protein subfamily C, member 2, putative 0.0065 0.1335 1
Trichomonas vaginalis cyclic nucleotide phosphodiesterase, putative 0.0016 0 0.5
Trichomonas vaginalis calcium/calmodulin-dependent 3,5-cyclic nucleotide phosphodiesterase, putative 0.0016 0 0.5
Trichomonas vaginalis conserved hypothetical protein 0.0016 0 0.5
Trichomonas vaginalis high-affinity cGMP-specific 3,5-cyclic phosphodiesterase, putative 0.0016 0 0.5
Loa Loa (eye worm) hypothetical protein 0.0128 0.3007 0.3007
Trichomonas vaginalis high-affinity cGMP-specific 3,5-cyclic phosphodiesterase, putative 0.0016 0 0.5
Brugia malayi Probable 3',5'-cyclic phosphodiesterase R153.1, putative 0.0112 0.259 1
Toxoplasma gondii hypothetical protein 0.0388 1 1
Echinococcus multilocularis cAMP specific 3',5' cyclic phosphodiesterase 0.0128 0.3007 1
Loa Loa (eye worm) inward rectifying k channel family protein 1 0.0388 1 1
Echinococcus multilocularis multidrug resistance associated protein 1 0.0065 0.1335 0.444
Trichomonas vaginalis cGMP-inhibited 3,5-cyclic phosphodiesterase, putative 0.0016 0 0.5
Trypanosoma brucei p-glycoprotein 0.0065 0.1335 1
Schistosoma mansoni lamin 0.0031 0.0414 0.1378
Loa Loa (eye worm) hypothetical protein 0.0065 0.1335 0.1335
Loa Loa (eye worm) hypothetical protein 0.0065 0.1321 0.1321
Echinococcus granulosus tar DNA binding protein 0.0073 0.1536 0.5107
Brugia malayi intermediate filament protein 0.0031 0.0414 0.16
Loa Loa (eye worm) hypothetical protein 0.0388 1 1
Entamoeba histolytica hypothetical protein 0.0065 0.1335 0.5
Entamoeba histolytica multidrug resistance protein, putative 0.0065 0.1335 0.5
Echinococcus granulosus cAMP specific 3'5' cyclic phosphodiesterase 0.0128 0.3007 1
Entamoeba histolytica ATP-binding cassette protein, putative 0.0065 0.1335 0.5
Brugia malayi Intermediate filament tail domain containing protein 0.0031 0.0414 0.16
Brugia malayi ABC transporter transmembrane region family protein 0.0065 0.1335 0.5155
Trichomonas vaginalis cyclic nucleotide phosphodiesterase, putative 0.0016 0 0.5
Trichomonas vaginalis cAMP-specific phosphodiesterase, putative 0.0016 0 0.5
Schistosoma mansoni camp-specific 35-cyclic phosphodiesterase 0.0128 0.3007 1
Schistosoma mansoni tar DNA-binding protein 0.0073 0.1536 0.5107
Brugia malayi RNA recognition motif domain containing protein 0.0073 0.1536 0.5929
Brugia malayi TAR-binding protein 0.0073 0.1536 0.5929
Echinococcus granulosus lamin 0.0031 0.0414 0.1378
Trichomonas vaginalis rod cGMP-specific 3,5-cyclic phosphodiesterase, putative 0.0016 0 0.5
Echinococcus multilocularis lamin dm0 0.0031 0.0414 0.1378
Schistosoma mansoni multidrug resistance protein 0.0065 0.1335 0.444
Trichomonas vaginalis cGMP-inhibited 3,5-cyclic phosphodiesterase, putative 0.0016 0 0.5
Trichomonas vaginalis cAMP/cGMP cyclic nucleotide phosphodiesterase, putative 0.0016 0 0.5
Trypanosoma cruzi multidrug resistance-associated protein, putative 0.0065 0.1335 1
Loa Loa (eye worm) TAR-binding protein 0.0073 0.1536 0.1536
Loa Loa (eye worm) cytoplasmic intermediate filament protein 0.0017 0.0029 0.0029
Trichomonas vaginalis cGMP-specific 3,5-cyclic phosphodiesterase, putative 0.0016 0 0.5
Loa Loa (eye worm) cyclic AMP specific phosphodiesterase PDE4D5A 0.0112 0.259 0.259
Giardia lamblia ABC transporter, putative 0.0065 0.1335 0.444
Brugia malayi cytoplasmic intermediate filament protein 0.0017 0.0029 0.011
Plasmodium vivax cyclic nucleotide phosphodiesterase, putative 0.0016 0 0.5
Echinococcus granulosus intermediate filament protein 0.0031 0.0414 0.1378
Trichomonas vaginalis cGMP-dependent 3,5-cyclic phosphodiesterase, putative 0.0016 0 0.5
Trichomonas vaginalis cAMP and cAMP-inhibited cGMP 3,5-cyclic phosphodiesterase, putative 0.0016 0 0.5
Giardia lamblia Multidrug resistance-associated protein 1 0.0065 0.1335 0.444
Plasmodium vivax phosphodiesterase gamma, putative 0.0016 0 0.5
Trichomonas vaginalis rod cGMP-specific 3,5-cyclic phosphodiesterase, putative 0.0016 0 0.5
Leishmania major pentamidine resistance protein 1 0.0065 0.1335 1
Schistosoma mansoni intermediate filament proteins 0.0031 0.0414 0.1378
Loa Loa (eye worm) intermediate filament tail domain-containing protein 0.0031 0.0414 0.0414
Brugia malayi RNA binding protein 0.0073 0.1536 0.5929
Trichomonas vaginalis cyclic nucleotide phosphodiesterase, putative 0.0016 0 0.5
Trichomonas vaginalis cAMP-specific 3,5-cyclic phosphodiesterase, putative 0.0016 0 0.5
Plasmodium falciparum 3',5'-cyclic nucleotide phosphodiesterase, putative 0.0016 0 0.5
Echinococcus multilocularis cAMP specific 3',5' cyclic phosphodiesterase 0.0128 0.3007 1
Trichomonas vaginalis high-affinity cGMP-specific 3,5-cyclic phosphodiesterase, putative 0.0016 0 0.5
Trichomonas vaginalis high-affinity cGMP-specific 3,5-cyclic phosphodiesterase, putative 0.0016 0 0.5
Echinococcus granulosus multidrug resistance associated protein 4 0.005 0.0928 0.3088
Trichomonas vaginalis cGMP-specific 3,5-cyclic phosphodiesterase, putative 0.0016 0 0.5
Leishmania major ATP-binding cassette protein subfamily C, member 6, putative 0.0065 0.1335 1
Trichomonas vaginalis calcium/calmodulin-dependent 3,5-cyclic nucleotide phosphodiesterase, putative 0.0016 0 0.5
Plasmodium vivax 3',5'-cyclic nucleotide phosphodiesterase, putative 0.0016 0 0.5
Echinococcus multilocularis lamin 0.0031 0.0414 0.1378
Toxoplasma gondii 3'5'-cyclic nucleotide phosphodiesterase domain-containing protein 0.0128 0.3007 0.3007
Loa Loa (eye worm) hypothetical protein 0.003 0.0399 0.0399
Schistosoma mansoni lamin 0.0031 0.0414 0.1378
Trypanosoma brucei multidrug resistance protein E 0.0065 0.1335 1
Echinococcus granulosus multidrug resistance associated protein 1 0.0065 0.1335 0.444
Plasmodium vivax 3',5'-cyclic nucleotide phosphodiesterase, putative 0.0016 0 0.5
Loa Loa (eye worm) RNA recognition domain-containing protein domain-containing protein 0.0073 0.1536 0.1536
Echinococcus multilocularis cAMP specific 3',5' cyclic phosphodiesterase 0.0112 0.259 0.8614
Trichomonas vaginalis calcium/calmodulin-dependent 3',5'-cyclic nucleotide phosphodiesterase, putative 0.0016 0 0.5
Trichomonas vaginalis cyclic nucleotide phosphodiesterase, putative 0.0016 0 0.5
Trichomonas vaginalis cyclic nucleotide phosphodiesterase, putative 0.0016 0 0.5
Echinococcus granulosus cAMP specific 3'5' cyclic phosphodiesterase 0.0112 0.259 0.8614
Trichomonas vaginalis cAMP and cAMP-inhibited cGMP 3,5-cyclic phosphodiesterase, putative 0.0016 0 0.5
Plasmodium falciparum 3',5'-cyclic nucleotide phosphodiesterase, putative 0.0016 0 0.5
Trypanosoma cruzi multidrug resistance protein E, putative 0.0065 0.1335 1
Plasmodium falciparum cGMP-specific phosphodiesterase 0.0016 0 0.5
Schistosoma mansoni tar DNA-binding protein 0.0073 0.1536 0.5107
Leishmania major ATP-binding cassette protein subfamily C, member 5, putative 0.0065 0.1335 1
Trichomonas vaginalis conserved hypothetical protein 0.0016 0 0.5
Trypanosoma cruzi hypothetical protein 0.005 0.0928 0.6954
Brugia malayi multidrug resistance related protein 1 0.0065 0.1335 0.5155
Trichomonas vaginalis high-affinity cGMP-specific 3,5-cyclic phosphodiesterase, putative 0.0016 0 0.5
Trichomonas vaginalis cGMP-dependent 3,5-cyclic phosphodiesterase, putative 0.0016 0 0.5
Trichomonas vaginalis cone cGMP-specific 3,5-cyclic phosphodiesterase, putative 0.0016 0 0.5
Plasmodium falciparum phosphodiesterase gamma, putative 0.0016 0 0.5
Brugia malayi Cytochrome P450 family protein 0.0034 0.0499 0.1925
Echinococcus granulosus lamin dm0 0.0031 0.0414 0.1378
Giardia lamblia Multidrug resistance-associated protein 1 0.0065 0.1335 0.444
Trichomonas vaginalis calcium/calmodulin-dependent 3,5-cyclic nucleotide phosphodiesterase, putative 0.0016 0 0.5
Loa Loa (eye worm) intermediate filament protein 0.0031 0.0414 0.0414
Trichomonas vaginalis cAMP-specific 3,5-cyclic phosphodiesterase, putative 0.0016 0 0.5
Onchocerca volvulus 0.0031 0.0414 0.5
Echinococcus multilocularis multidrug resistance associated protein 4 0.005 0.0928 0.3088
Giardia lamblia MRP-like ABC transporter 0.0065 0.1335 0.444
Trichomonas vaginalis calcium/calmodulin-dependent 3,5-cyclic nucleotide phosphodiesterase, putative 0.0016 0 0.5
Echinococcus multilocularis musashi 0.0031 0.0414 0.1378
Entamoeba histolytica ATP-binding cassette protein, putative 0.0065 0.1335 0.5
Trichomonas vaginalis high-affinity cGMP-specific 3,5-cyclic phosphodiesterase, putative 0.0016 0 0.5
Plasmodium falciparum phosphodiesterase delta, putative 0.0016 0 0.5
Trichomonas vaginalis rod cGMP-specific 3,5-cyclic phosphodiesterase, putative 0.0016 0 0.5
Loa Loa (eye worm) ABC transporter transmembrane region family protein 0.0065 0.1335 0.1335
Loa Loa (eye worm) multidrug resistance-associated protein 0.0051 0.0942 0.0942
Leishmania major p-glycoprotein e 0.0065 0.1335 1
Trichomonas vaginalis conserved hypothetical protein 0.0016 0 0.5
Echinococcus multilocularis tar DNA binding protein 0.0073 0.1536 0.5107
Echinococcus granulosus cAMP specific 3'5' cyclic phosphodiesterase 0.0128 0.3007 1
Trichomonas vaginalis cGMP-dependent 3,5-cyclic phosphodiesterase, putative 0.0016 0 0.5
Trichomonas vaginalis cGMP-dependent 3,5-cyclic phosphodiesterase, putative 0.0016 0 0.5
Trypanosoma cruzi multidrug resistance-associated protein, putative 0.0065 0.1335 1

Activities

No activities found for this compound.

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

No literature references available for this target.

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