Detailed information for compound 109142

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 391.422 | Formula: C18H25N5O5
  • H donors: 3 H acceptors: 4 LogP: -0.4 Rotable bonds: 10
    Rule of 5 violations (Lipinski): 1
  • SMILES: NC(=N)Nc1ccc(cc1)C(=O)N(CC(=O)N1CCC(CC1)OCC(=O)O)C
  • InChi: 1S/C18H25N5O5/c1-22(17(27)12-2-4-13(5-3-12)21-18(19)20)10-15(24)23-8-6-14(7-9-23)28-11-16(25)26/h2-5,14H,6-11H2,1H3,(H,25,26)(H4,19,20,21)
  • InChiKey: ZHAKUWZVKLGILC-UHFFFAOYSA-N  

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
Loa Loa (eye worm) CYP4Cod1 0.004 0.0202 0.0183
Trichomonas vaginalis cone cGMP-specific 3,5-cyclic phosphodiesterase, putative 0.0163 0.2176 0.824
Trypanosoma cruzi hypothetical protein, conserved 0.0063 0.0569 0.2616
Echinococcus multilocularis high affinity cAMP specific 3',5' cyclic 0.0063 0.0569 0.0932
Loa Loa (eye worm) hypothetical protein 0.0196 0.2708 0.2694
Trypanosoma cruzi cAMP specific phosphodiesterase, putative 0.0163 0.2176 1
Echinococcus multilocularis cAMP specific 3',5' cyclic phosphodiesterase 0.0178 0.2418 0.4956
Plasmodium vivax cyclic nucleotide phosphodiesterase, putative 0.0063 0.0569 0.117
Trichomonas vaginalis high-affinity cGMP-specific 3,5-cyclic phosphodiesterase, putative 0.0163 0.2176 0.824
Plasmodium falciparum 3',5'-cyclic nucleotide phosphodiesterase, putative 0.0063 0.0569 1
Brugia malayi Cytochrome P450 family protein 0.004 0.0202 0.0062
Toxoplasma gondii 3'5'-cyclic nucleotide phosphodiesterase domain-containing protein 0.0063 0.0569 0.0847
Trichomonas vaginalis conserved hypothetical protein 0.0063 0.0569 0.1735
Trichomonas vaginalis calcium/calmodulin-dependent 3,5-cyclic nucleotide phosphodiesterase, putative 0.0163 0.2176 0.824
Trypanosoma cruzi cAMP specific phosphodiesterase, putative 0.0163 0.2176 1
Schistosoma mansoni semaphorin 5-related 0.0082 0.0878 0.1605
Trypanosoma cruzi hypothetical protein, conserved 0.0063 0.0569 0.2616
Trichomonas vaginalis rod cGMP-specific 3,5-cyclic phosphodiesterase, putative 0.0163 0.2176 0.824
Toxoplasma gondii 3'5'-cyclic nucleotide phosphodiesterase domain-containing protein 0.018 0.2444 1
Trichomonas vaginalis calcium/calmodulin-dependent 3,5-cyclic nucleotide phosphodiesterase, putative 0.0115 0.1399 0.5097
Loa Loa (eye worm) calcium/calmodulin-stimulated cyclic nucleotide phosphodiesterase 0.0063 0.0569 0.0552
Trypanosoma cruzi hypothetical protein, conserved 0.0063 0.0569 0.2616
Trichomonas vaginalis cAMP-specific phosphodiesterase, putative 0.0163 0.2176 0.824
Plasmodium vivax 3',5'-cyclic nucleotide phosphodiesterase, putative 0.0063 0.0569 0.117
Trichomonas vaginalis calcium/calmodulin-dependent 3,5-cyclic nucleotide phosphodiesterase, putative 0.0063 0.0569 0.1735
Toxoplasma gondii 3'5'-cyclic nucleotide phosphodiesterase domain-containing protein 0.0063 0.0569 0.0847
Plasmodium falciparum cGMP-specific phosphodiesterase 0.0063 0.0569 1
Trichomonas vaginalis cyclic nucleotide phosphodiesterase, putative 0.0063 0.0569 0.1735
Toxoplasma gondii 3'5'-cyclic nucleotide phosphodiesterase domain-containing protein 0.0064 0.0595 0.0972
Trichomonas vaginalis cyclic nucleotide phosphodiesterase, putative 0.0163 0.2176 0.824
Trypanosoma brucei cAMP-specific phosphodiesterase 0.0163 0.2176 1
Trypanosoma cruzi cAMP phosphodiesterase A, putative 0.0145 0.1879 0.8637
Trichomonas vaginalis cyclic nucleotide phosphodiesterase, putative 0.0063 0.0569 0.1735
Trypanosoma cruzi hypothetical protein, conserved 0.0063 0.0569 0.2616
Trichomonas vaginalis rod cGMP-specific 3,5-cyclic phosphodiesterase, putative 0.0163 0.2176 0.824
Entamoeba histolytica protein kinase domain containing protein 0.0046 0.0295 1
Trichomonas vaginalis cyclic nucleotide phosphodiesterase, putative 0.019 0.261 1
Brugia malayi Sema domain containing protein 0.0082 0.0878 0.0748
Mycobacterium leprae conserved hypothetical protein 0.0052 0.0396 0.5
Echinococcus multilocularis cAMP and cAMP inhibited cGMP 3',5' cyclic 0.0266 0.3818 0.8
Trypanosoma cruzi cAMP phosphodiesterase A, putative 0.0145 0.1879 0.8637
Mycobacterium ulcerans putative regulatory protein 0.0052 0.0396 0.3085
Echinococcus multilocularis high affinity cgmp specific 3' 5' cyclic 0.0063 0.0569 0.0932
Trichomonas vaginalis cAMP-specific phosphodiesterase, putative 0.0111 0.1345 0.4878
Loa Loa (eye worm) hypothetical protein 0.0203 0.2814 0.28
Trichomonas vaginalis cyclic nucleotide phosphodiesterase, putative 0.0163 0.2176 0.824
Toxoplasma gondii 3'5'-cyclic nucleotide phosphodiesterase domain-containing protein 0.0063 0.0569 0.0847
Echinococcus multilocularis calcium:calmodulin dependent 3',5' cyclic 0.0323 0.4737 1
Trypanosoma brucei 3', 5'-cyclic nucleotide phosphodiesterase, putative 0.0063 0.0569 0.2616
Trichomonas vaginalis conserved hypothetical protein 0.01 0.1172 0.4176
Trichomonas vaginalis conserved hypothetical protein 0.0063 0.0569 0.1735
Loa Loa (eye worm) hypothetical protein 0.0082 0.0878 0.0861
Toxoplasma gondii 3'5'-cyclic nucleotide phosphodiesterase domain-containing protein 0.0063 0.0569 0.0847
Loa Loa (eye worm) hypothetical protein 0.0082 0.0878 0.0861
Leishmania major hypothetical protein, conserved 0.0063 0.0569 0.2616
Entamoeba histolytica tyrosin kinase, putative 0.0046 0.0295 1
Schistosoma mansoni camp-specific 35-cyclic phosphodiesterase 0.0063 0.0569 0.0932
Brugia malayi Probable 3',5'-cyclic phosphodiesterase R153.1, putative 0.0063 0.0569 0.0435
Loa Loa (eye worm) hypothetical protein 0.0036 0.0141 0.0122
Loa Loa (eye worm) sema domain-containing protein 0.0082 0.0878 0.0861
Trichomonas vaginalis high-affinity cGMP-specific 3,5-cyclic phosphodiesterase, putative 0.009 0.1004 0.3495
Echinococcus multilocularis plexin a4 0.0232 0.3283 0.6837
Trichomonas vaginalis cGMP-specific 3,5-cyclic phosphodiesterase, putative 0.0163 0.2176 0.824
Mycobacterium ulcerans putative regulatory protein 0.0052 0.0396 0.3085
Trichomonas vaginalis conserved hypothetical protein 0.01 0.1172 0.4176
Brugia malayi 3'5'-cyclic nucleotide phosphodiesterase family protein 0.0176 0.2382 0.2273
Toxoplasma gondii 3'5'-cyclic nucleotide phosphodiesterase domain-containing protein 0.0063 0.0569 0.0847
Trichomonas vaginalis cGMP-dependent 3,5-cyclic phosphodiesterase, putative 0.0115 0.1399 0.5097
Plasmodium falciparum phosphodiesterase delta, putative 0.0063 0.0569 1
Echinococcus granulosus semaphorin 1A 0.0082 0.0878 0.1605
Loa Loa (eye worm) cytochrome P450 family protein 0.004 0.0202 0.0183
Trypanosoma cruzi cytochrome P450, putative 0.004 0.0202 0.0928
Trypanosoma brucei cAMP-specific phosphodiesterase, putative 0.0063 0.0569 0.2616
Brugia malayi hypothetical protein 0.0082 0.0878 0.0748
Trichomonas vaginalis cAMP-specific 3,5-cyclic phosphodiesterase, putative 0.0163 0.2176 0.824
Onchocerca volvulus 0.0196 0.2708 1
Schistosoma mansoni cgmp-dependent 35-cyclic phosphodiesterase 0.0176 0.2382 0.4876
Trypanosoma brucei cAMP-specific phosphodiesterase 0.0163 0.2176 1
Trichomonas vaginalis cGMP-specific 3,5-cyclic phosphodiesterase, putative 0.0163 0.2176 0.824
Echinococcus multilocularis calcium:calmodulin dependent 3',5' cyclic 0.0145 0.1879 0.3782
Brugia malayi Plexin repeat family protein 0.0196 0.2708 0.2604
Trichomonas vaginalis cGMP-inhibited 3,5-cyclic phosphodiesterase, putative 0.0063 0.0569 0.1735
Trichomonas vaginalis cGMP-specific 3,5-cyclic phosphodiesterase, putative 0.0163 0.2176 0.824
Trichomonas vaginalis cAMP/cGMP cyclic nucleotide phosphodiesterase, putative 0.0163 0.2176 0.824
Loa Loa (eye worm) hypothetical protein 0.0063 0.0569 0.0552
Toxoplasma gondii 3'5'-cyclic nucleotide phosphodiesterase domain-containing protein 0.0063 0.0569 0.0847
Trichomonas vaginalis conserved hypothetical protein 0.019 0.261 1
Trichomonas vaginalis high-affinity cGMP-specific 3,5-cyclic phosphodiesterase, putative 0.009 0.1004 0.3495
Trichomonas vaginalis conserved hypothetical protein 0.01 0.1172 0.4176
Leishmania major cAMP phosphodiesterase A, putative;with=GeneDB:LinJ18_V3.1100 0.0145 0.1879 0.8637
Schistosoma mansoni camp-specific cyclic nucleotide phosphodiesterase 0.0063 0.0569 0.0932
Echinococcus granulosus cAMP specific 3'5' cyclic phosphodiesterase 0.0178 0.2418 0.4956
Brugia malayi hypothetical protein 0.0082 0.0878 0.0748
Trichomonas vaginalis cAMP and cAMP-inhibited cGMP 3,5-cyclic phosphodiesterase, putative 0.0111 0.1345 0.4878
Plasmodium falciparum phosphodiesterase gamma, putative 0.0063 0.0569 1
Trypanosoma cruzi hypothetical protein, conserved 0.0063 0.0569 0.2616
Schistosoma mansoni plexin 0.0196 0.2708 0.5585
Loa Loa (eye worm) hypothetical protein 0.0036 0.0141 0.0122
Schistosoma mansoni hypothetical protein 0.0082 0.0878 0.1605
Trichomonas vaginalis high-affinity cGMP-specific 3,5-cyclic phosphodiesterase, putative 0.0115 0.1399 0.5097
Echinococcus granulosus semaphorin 5B 0.0082 0.0878 0.1605
Plasmodium falciparum cGMP-specific phosphodiesterase 0.0063 0.0569 1
Echinococcus multilocularis semaphorin 5B 0.0082 0.0878 0.1605
Toxoplasma gondii 3'5'-cyclic nucleotide phosphodiesterase domain-containing protein 0.0063 0.0569 0.0847
Trypanosoma cruzi cyclic nucleotide phosphodiesterase 0.0063 0.0569 0.2616
Echinococcus granulosus high affinity cgmp specific 3' 5' cyclic 0.0063 0.0569 0.0932
Brugia malayi 3'5'-cyclic nucleotide phosphodiesterase family protein 0.0063 0.0569 0.0435
Trypanosoma brucei cytochrome P450, putative 0.004 0.0202 0.0928
Toxoplasma gondii 3'5'-cyclic nucleotide phosphodiesterase domain-containing protein 0.0145 0.1879 0.7242
Trichomonas vaginalis cAMP and cAMP-inhibited cGMP 3,5-cyclic phosphodiesterase, putative 0.0063 0.0569 0.1735
Leishmania major cAMP-specific phosphodiesterase, putative 0.0063 0.0569 0.2616
Plasmodium vivax 3',5'-cyclic nucleotide phosphodiesterase, putative 0.0145 0.1879 1
Trichomonas vaginalis high-affinity cGMP-specific 3,5-cyclic phosphodiesterase, putative 0.0163 0.2176 0.824
Trichomonas vaginalis cGMP-dependent 3,5-cyclic phosphodiesterase, putative 0.0163 0.2176 0.824
Loa Loa (eye worm) hypothetical protein 0.0589 0.8996 0.8994
Trypanosoma brucei cAMP phosphodiesterase A, putative 0.0145 0.1879 0.8637
Schistosoma mansoni plexin 0.0114 0.1395 0.2728
Toxoplasma gondii hypothetical protein 0.01 0.1172 0.379
Loa Loa (eye worm) PDE1B protein 0.0323 0.4737 0.4727
Schistosoma mansoni camp-specific 35-cyclic phosphodiesterase 0.0063 0.0569 0.0932
Trichomonas vaginalis high-affinity cGMP-specific 3,5-cyclic phosphodiesterase, putative 0.0163 0.2176 0.824
Schistosoma mansoni high-affinity cgmp-specific 35-cyclic phosphodiesterase 0.0063 0.0569 0.0932
Loa Loa (eye worm) hypothetical protein 0.0082 0.0878 0.0861
Brugia malayi Probable 3',5'-cyclic phosphodiesterase C32E12.2, putative 0.0266 0.3818 0.3729
Trypanosoma cruzi cAMP specific phosphodiesterase, putative 0.0163 0.2176 1
Brugia malayi Probable 3',5'-cyclic phosphodiesterase T04D3.3, putative 0.0323 0.4737 0.4662
Loa Loa (eye worm) hypothetical protein 0.0082 0.0878 0.0861
Plasmodium falciparum 3',5'-cyclic nucleotide phosphodiesterase, putative 0.0063 0.0569 1
Echinococcus granulosus high affinity cAMP specific 3'5' cyclic 0.0063 0.0569 0.0932
Loa Loa (eye worm) hypothetical protein 0.0151 0.1984 0.1969
Trypanosoma cruzi cAMP specific phosphodiesterase, putative 0.0111 0.1345 0.6184
Loa Loa (eye worm) hypothetical protein 0.0082 0.0878 0.0861
Brugia malayi plexin A 0.0232 0.3283 0.3187
Trypanosoma brucei hypothetical protein, conserved 0.0063 0.0569 0.2616
Trypanosoma cruzi cytochrome P450, putative 0.004 0.0202 0.0928
Echinococcus granulosus dual 3'5' cyclic AMP and GMP phosphodiesterase 0.0163 0.2176 0.4427
Trichomonas vaginalis calcium/calmodulin-dependent 3,5-cyclic nucleotide phosphodiesterase, putative 0.0163 0.2176 0.824
Trichomonas vaginalis calcium/calmodulin-dependent 3,5-cyclic nucleotide phosphodiesterase, putative 0.0163 0.2176 0.824
Brugia malayi Sema domain containing protein 0.0082 0.0878 0.0748
Toxoplasma gondii 3'5'-cyclic nucleotide phosphodiesterase domain-containing protein 0.0063 0.0569 0.0847
Loa Loa (eye worm) plexin A 0.0232 0.3283 0.327
Loa Loa (eye worm) hypothetical protein 0.0036 0.0141 0.0122
Trichomonas vaginalis cGMP-inhibited 3,5-cyclic phosphodiesterase, putative 0.0163 0.2176 0.824
Echinococcus multilocularis cAMP specific 3',5' cyclic phosphodiesterase 0.0116 0.1415 0.2772
Echinococcus multilocularis cAMP specific 3',5' cyclic phosphodiesterase 0.0178 0.2418 0.4956
Trichomonas vaginalis calcium/calmodulin-dependent 3,5-cyclic nucleotide phosphodiesterase, putative 0.019 0.261 1
Schistosoma mansoni high-affinity cgmp-specific 35-cyclic phosphodiesterase 0.0063 0.0569 0.0932
Trichomonas vaginalis high-affinity cGMP-specific 3,5-cyclic phosphodiesterase, putative 0.0063 0.0569 0.1735
Schistosoma mansoni hypothetical protein 0.0114 0.1395 0.2728
Schistosoma mansoni high-affinity cgmp-specific 35-cyclic phosphodiesterase 0.0063 0.0569 0.0932
Schistosoma mansoni calcium/calmodulin-dependent 35-cyclic nucleotide phosphodiesterase 0.0323 0.4737 1
Trichomonas vaginalis calcium/calmodulin-dependent 3',5'-cyclic nucleotide phosphodiesterase, putative 0.0063 0.0569 0.1735
Loa Loa (eye worm) hypothetical protein 0.0176 0.2382 0.2367
Toxoplasma gondii 3'5'-cyclic nucleotide phosphodiesterase domain-containing protein 0.0063 0.0569 0.0847
Echinococcus multilocularis hypothetical protein 0.0082 0.0878 0.1605
Schistosoma mansoni camp-specific 35-cyclic phosphodiesterase 0.0178 0.2418 0.4956
Leishmania major hypothetical protein, conserved 0.0063 0.0569 0.2616
Trypanosoma cruzi hypothetical protein, conserved 0.0063 0.0569 0.2616
Toxoplasma gondii 3'5'-cyclic nucleotide phosphodiesterase domain-containing protein 0.0063 0.0569 0.0847
Toxoplasma gondii 3'5'-cyclic nucleotide phosphodiesterase domain-containing protein 0.0063 0.0569 0.0847
Loa Loa (eye worm) cyclic AMP specific phosphodiesterase PDE4D5A 0.0116 0.1415 0.1399
Mycobacterium tuberculosis Two component sensor histidine kinase DosT 0.0052 0.0396 0.4766
Plasmodium vivax phosphodiesterase gamma, putative 0.0063 0.0569 0.117
Trypanosoma cruzi cAMP-specific phosphodiesterase, putative 0.0063 0.0569 0.2616
Echinococcus granulosus plexin a4 0.0232 0.3283 0.6837
Schistosoma mansoni hypothetical protein 0.0082 0.0878 0.1605
Trichomonas vaginalis high-affinity cGMP-specific 3,5-cyclic phosphodiesterase, putative 0.0163 0.2176 0.824
Trichomonas vaginalis cAMP-specific phosphodiesterase, putative 0.0163 0.2176 0.824
Trichomonas vaginalis conserved hypothetical protein 0.0052 0.0396 0.1032
Loa Loa (eye worm) sema domain-containing protein 0.0082 0.0878 0.0861
Trichomonas vaginalis cGMP-dependent 3,5-cyclic phosphodiesterase, putative 0.0063 0.0569 0.1735
Trichomonas vaginalis rod cGMP-specific 3,5-cyclic phosphodiesterase, putative 0.019 0.261 1
Schistosoma mansoni camp-specific 35-cyclic phosphodiesterase 0.0063 0.0569 0.0932
Echinococcus granulosus cAMP and cAMP inhibited cGMP 3'5' cyclic 0.0266 0.3818 0.8
Giardia lamblia CAMP-specific 3,5-cyclic phosphodiesterase 4B 0.0178 0.2418 1
Loa Loa (eye worm) hypothetical protein 0.0036 0.0141 0.0122
Loa Loa (eye worm) hypothetical protein 0.0082 0.0878 0.0861
Toxoplasma gondii 3'5'-cyclic nucleotide phosphodiesterase domain-containing protein 0.0063 0.0569 0.0847
Trypanosoma brucei 3', 5'-cyclic nucleotide phosphodiesterase, putative 0.0063 0.0569 0.2616
Brugia malayi Cytochrome P450 family protein 0.004 0.0202 0.0062
Trichomonas vaginalis cGMP-dependent 3,5-cyclic phosphodiesterase, putative 0.0163 0.2176 0.824
Echinococcus granulosus calcium:calmodulin dependent 3'5' cyclic 0.0323 0.4737 1
Schistosoma mansoni camp/cgmp cyclic nucleotide phosphodiesterase 0.0163 0.2176 0.4427
Echinococcus multilocularis dual 3',5' cyclic AMP and GMP phosphodiesterase 0.0163 0.2176 0.4427
Toxoplasma gondii 3'5'-cyclic nucleotide phosphodiesterase domain-containing protein 0.0063 0.0569 0.0847
Trichomonas vaginalis cone cGMP-specific 3,5-cyclic phosphodiesterase, putative 0.0163 0.2176 0.824
Toxoplasma gondii 3'5'-cyclic nucleotide phosphodiesterase domain-containing protein 0.0063 0.0569 0.0847
Trichomonas vaginalis cAMP-specific 3,5-cyclic phosphodiesterase, putative 0.0163 0.2176 0.824
Mycobacterium ulcerans two component sensor histidine kinase DevS 0.0079 0.083 1
Brugia malayi Probable 3',5'-cyclic phosphodiesterase R153.1, putative 0.0116 0.1415 0.1292
Loa Loa (eye worm) cytochrome P450 family protein 0.004 0.0202 0.0183
Loa Loa (eye worm) hypothetical protein 0.0652 1 1
Echinococcus granulosus calcium:calmodulin dependent 3'5' cyclic 0.0145 0.1879 0.3782
Toxoplasma gondii 3'5'-cyclic nucleotide phosphodiesterase domain-containing protein 0.0145 0.1879 0.7242
Mycobacterium tuberculosis Two component sensor histidine kinase DevS 0.0079 0.083 1
Echinococcus granulosus cAMP specific 3'5' cyclic phosphodiesterase 0.0178 0.2418 0.4956
Loa Loa (eye worm) hypothetical protein 0.0114 0.1395 0.1379
Loa Loa (eye worm) hypothetical protein 0.0178 0.2418 0.2404
Trichomonas vaginalis calcium/calmodulin-dependent 3,5-cyclic nucleotide phosphodiesterase, putative 0.0163 0.2176 0.824
Echinococcus granulosus cAMP specific 3'5' cyclic phosphodiesterase 0.0116 0.1415 0.2772
Leishmania major cytochrome p450-like protein 0.004 0.0202 0.0928

Activities

Activity type Activity value Assay description Source Reference
IC50 (functional) 0 uM Tested in vitro for collagen induced platelet aggregation inhibitory activity using human platelet rich plasma (PRP) anti-coagulated with 0.38% trisodium citrate; No data ChEMBL. No reference

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

No external resources registered for this compound

Bibliographic References

No literature references available for this target.

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