Detailed information for compound 1991709

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 377.375 | Formula: C19H16FN7O
  • H donors: 3 H acceptors: 5 LogP: 1.34 Rotable bonds: 6
    Rule of 5 violations (Lipinski): 1
  • SMILES: O=C(Nc1ncc2c(c1)[nH]nc2c1ccnc(c1)C)NCc1cncc(c1)F
  • InChi: 1S/C19H16FN7O/c1-11-4-13(2-3-22-11)18-15-10-23-17(6-16(15)26-27-18)25-19(28)24-8-12-5-14(20)9-21-7-12/h2-7,9-10H,8H2,1H3,(H,26,27)(H2,23,24,25,28)
  • InChiKey: QSWLRKZYVRQFLR-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

No synonyms found for this compound

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Homo sapiens mitogen-activated protein kinase 1 Starlite/ChEMBL No references

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Leishmania braziliensis mitogen activated protein kinase, putative,map kinase, putative Get druggable targets OG5_126781 All targets in OG5_126781
Loa Loa (eye worm) CMGC/MAPK/ERK1 protein kinase Get druggable targets OG5_126781 All targets in OG5_126781
Leishmania donovani mitogen activated protein kinase, putative Get druggable targets OG5_126781 All targets in OG5_126781
Schistosoma japonicum Mitogen-activated protein kinase 3, putative Get druggable targets OG5_126781 All targets in OG5_126781
Leishmania infantum mitogen activated protein kinase, putative,map kinase, putative Get druggable targets OG5_126781 All targets in OG5_126781
Trypanosoma brucei gambiense mitogen-activated protein kinase, putative Get druggable targets OG5_126781 All targets in OG5_126781
Trypanosoma brucei protein kinase, putative Get druggable targets OG5_126781 All targets in OG5_126781
Trichomonas vaginalis CMGC family protein kinase Get druggable targets OG5_126781 All targets in OG5_126781
Toxoplasma gondii CMGC kinase, MAPK family (ERK) MAPK-1 Get druggable targets OG5_126781 All targets in OG5_126781
Leishmania major mitogen activated protein kinase, putative,map kinase, putative Get druggable targets OG5_126781 All targets in OG5_126781
Giardia lamblia Kinase, CMGC MAPK Get druggable targets OG5_126781 All targets in OG5_126781
Candida albicans MAP kinase implicated in PKC1-controlled signalling pathway Get druggable targets OG5_126781 All targets in OG5_126781
Echinococcus granulosus mitogen activated protein kinase 3 Get druggable targets OG5_126781 All targets in OG5_126781
Trypanosoma congolense tyrosine protein kinase, putative Get druggable targets OG5_126781 All targets in OG5_126781
Leishmania infantum mitogen activated protein kinase 4, putative;with=GeneDB:LmxM19.1440 Get druggable targets OG5_126781 All targets in OG5_126781
Echinococcus granulosus mitogen activated protein kinase Get druggable targets OG5_126781 All targets in OG5_126781
Trypanosoma cruzi mitogen-activated protein kinase 11, putative Get druggable targets OG5_126781 All targets in OG5_126781
Schistosoma japonicum ko:K04371 extracellular signal-regulated kinase 1/2, putative Get druggable targets OG5_126781 All targets in OG5_126781
Schistosoma japonicum Mitogen-activated protein kinase 3, putative Get druggable targets OG5_126781 All targets in OG5_126781
Trypanosoma cruzi mitogen-activated protein kinase 11, putative Get druggable targets OG5_126781 All targets in OG5_126781
Leishmania donovani mitogen-activated protein kinase 4 Get druggable targets OG5_126781 All targets in OG5_126781
Candida albicans Serine/threonine protein kinase of MAP kinase family Get druggable targets OG5_126781 All targets in OG5_126781
Candida albicans MAP kinase-like orf Get druggable targets OG5_126781 All targets in OG5_126781
Trypanosoma brucei gambiense protein kinase, putative,tyrosine protein kinase, putative Get druggable targets OG5_126781 All targets in OG5_126781
Brugia malayi MAP kinase sur-1 Get druggable targets OG5_126781 All targets in OG5_126781
Leishmania mexicana mitogen-activated protein kinase Get druggable targets OG5_126781 All targets in OG5_126781
Trichomonas vaginalis CMGC family protein kinase Get druggable targets OG5_126781 All targets in OG5_126781
Cryptosporidium hominis MAPK Get druggable targets OG5_126781 All targets in OG5_126781
Echinococcus multilocularis mitogen activated protein kinase 3 Get druggable targets OG5_126781 All targets in OG5_126781
Leishmania major mitogen activated protein kinase 4, putative;with=GeneDB:LmxM19.1440 Get druggable targets OG5_126781 All targets in OG5_126781
Candida albicans Serine/threonine protein kinase of MAP kinase family Get druggable targets OG5_126781 All targets in OG5_126781
Trichomonas vaginalis CMGC family protein kinase Get druggable targets OG5_126781 All targets in OG5_126781
Trichomonas vaginalis CMGC family protein kinase Get druggable targets OG5_126781 All targets in OG5_126781
Schistosoma mansoni serine/threonine protein kinase Get druggable targets OG5_126781 All targets in OG5_126781
Candida albicans MAP kinase-like orf Get druggable targets OG5_126781 All targets in OG5_126781
Cryptosporidium parvum MAPK, putative Get druggable targets OG5_126781 All targets in OG5_126781
Leishmania mexicana mitogen activated protein kinase, putative,map kinase, putative Get druggable targets OG5_126781 All targets in OG5_126781
Echinococcus multilocularis mitogen activated protein kinase Get druggable targets OG5_126781 All targets in OG5_126781
Trypanosoma cruzi mitogen activated protein kinase 4, putative Get druggable targets OG5_126781 All targets in OG5_126781
Trypanosoma brucei mitogen activated protein kinase 4, putative Get druggable targets OG5_126781 All targets in OG5_126781
Leishmania braziliensis mitogen activated protein kinase 4, putative;with=GeneDB:LmxM19.1440,map kinase Get druggable targets OG5_126781 All targets in OG5_126781
Trypanosoma cruzi mitogen activated protein kinase 2, putative Get druggable targets OG5_126781 All targets in OG5_126781
By sequence similarity to non orthologous known druggable targets
Species Potential target Known druggable target Length Alignment span Identity
Trypanosoma brucei mitogen-activated protein kinase 5 mitogen-activated protein kinase 1 360 aa 361 aa 33.2 %
Obtained from network model

Ranking Plot

Putative Targets List

Species Potential target Raw Global Species
Toxoplasma gondii 3'5'-cyclic nucleotide phosphodiesterase domain-containing protein 0.0357 0.1934 0.2495
Giardia lamblia CAMP-specific 3,5-cyclic phosphodiesterase 4B 0.1245 0.775 1
Trichomonas vaginalis high-affinity cGMP-specific 3,5-cyclic phosphodiesterase, putative 0.1471 0.9227 0.9254
Trypanosoma cruzi cAMP specific phosphodiesterase, putative 0.1471 0.9227 1
Trypanosoma cruzi hypothetical protein, conserved 0.0357 0.1934 0.2096
Trichomonas vaginalis high-affinity cGMP-specific 3,5-cyclic phosphodiesterase, putative 0.047 0.2677 0.2685
Loa Loa (eye worm) hypothetical protein 0.1245 0.775 0.775
Mycobacterium tuberculosis Two component sensor histidine kinase DosT 0.0432 0.2427 0.7373
Echinococcus granulosus high affinity cgmp specific 3' 5' cyclic 0.0357 0.1934 0.2096
Trichomonas vaginalis cGMP-specific 3,5-cyclic phosphodiesterase, putative 0.1471 0.9227 0.9254
Mycobacterium leprae conserved hypothetical protein 0.0432 0.2427 0.5
Trichomonas vaginalis cAMP-specific phosphodiesterase, putative 0.1471 0.9227 0.9254
Trichomonas vaginalis cone cGMP-specific 3,5-cyclic phosphodiesterase, putative 0.1471 0.9227 0.9254
Loa Loa (eye worm) hypothetical protein 0.1046 0.6444 0.6444
Echinococcus multilocularis high affinity cAMP specific 3',5' cyclic 0.0357 0.1934 0.2096
Toxoplasma gondii 3'5'-cyclic nucleotide phosphodiesterase domain-containing protein 0.0357 0.1934 0.2495
Trichomonas vaginalis cAMP-specific phosphodiesterase, putative 0.1038 0.6397 0.6416
Schistosoma mansoni camp-specific 35-cyclic phosphodiesterase 0.0357 0.1934 0.2096
Brugia malayi Probable 3',5'-cyclic phosphodiesterase R153.1, putative 0.0357 0.1934 0.1934
Brugia malayi 3'5'-cyclic nucleotide phosphodiesterase family protein 0.1046 0.6444 0.6444
Schistosoma mansoni high-affinity cgmp-specific 35-cyclic phosphodiesterase 0.0357 0.1934 0.2096
Trypanosoma brucei hypothetical protein, conserved 0.0357 0.1934 0.2096
Echinococcus granulosus high affinity cAMP specific 3'5' cyclic 0.0357 0.1934 0.2096
Leishmania major hypothetical protein, conserved 0.0114 0.034 0.0369
Giardia lamblia Hypothetical protein 0.0357 0.1934 0.2495
Echinococcus multilocularis calcium:calmodulin dependent 3',5' cyclic 0.0917 0.56 0.607
Trypanosoma cruzi hypothetical protein, conserved 0.0357 0.1934 0.2096
Leishmania major hypothetical protein, conserved 0.0357 0.1934 0.2096
Brugia malayi Fli-1 protein 0.0163 0.0667 0.0667
Trypanosoma brucei cAMP phosphodiesterase A, putative 0.0357 0.1934 0.2096
Schistosoma mansoni high-affinity cgmp-specific 35-cyclic phosphodiesterase 0.0357 0.1934 0.2096
Echinococcus granulosus calcium:calmodulin dependent 3'5' cyclic 0.0917 0.56 0.607
Toxoplasma gondii 3'5'-cyclic nucleotide phosphodiesterase domain-containing protein 0.0357 0.1934 0.2495
Echinococcus multilocularis calcium:calmodulin dependent 3',5' cyclic 0.0357 0.1934 0.2096
Plasmodium falciparum GAF domain-related protein, putative 0.0432 0.2427 1
Trichomonas vaginalis conserved hypothetical protein 0.1114 0.689 0.6911
Trichomonas vaginalis calcium/calmodulin-dependent 3,5-cyclic nucleotide phosphodiesterase, putative 0.1471 0.9227 0.9254
Trypanosoma cruzi cAMP phosphodiesterase A, putative 0.0357 0.1934 0.2096
Trichomonas vaginalis conserved hypothetical protein 0.1584 0.997 1
Loa Loa (eye worm) hypothetical protein 0.0357 0.1934 0.1934
Toxoplasma gondii 3'5'-cyclic nucleotide phosphodiesterase domain-containing protein 0.1245 0.775 1
Brugia malayi MH2 domain containing protein 0.0089 0.0178 0.0178
Trypanosoma cruzi hypothetical protein, conserved 0.0357 0.1934 0.2096
Loa Loa (eye worm) hypothetical protein 0.1589 1 1
Trichomonas vaginalis cAMP and cAMP-inhibited cGMP 3,5-cyclic phosphodiesterase, putative 0.1038 0.6397 0.6416
Trichomonas vaginalis cone cGMP-specific 3,5-cyclic phosphodiesterase, putative 0.1471 0.9227 0.9254
Schistosoma mansoni hypothetical protein 0.0371 0.2029 0.2199
Loa Loa (eye worm) fli-1 protein 0.0163 0.0667 0.0667
Trichomonas vaginalis calcium/calmodulin-dependent 3',5'-cyclic nucleotide phosphodiesterase, putative 0.0357 0.1934 0.1939
Schistosoma mansoni camp-specific 35-cyclic phosphodiesterase 0.0357 0.1934 0.2096
Brugia malayi Probable 3',5'-cyclic phosphodiesterase C32E12.2, putative 0.0789 0.4763 0.4763
Trypanosoma brucei 3', 5'-cyclic nucleotide phosphodiesterase, putative 0.0357 0.1934 0.2096
Toxoplasma gondii 3'5'-cyclic nucleotide phosphodiesterase domain-containing protein 0.0357 0.1934 0.2495
Loa Loa (eye worm) calcium/calmodulin-stimulated cyclic nucleotide phosphodiesterase 0.0357 0.1934 0.1934
Trypanosoma cruzi GAF domain/TIP41-like family, putative 0.0114 0.034 0.0369
Loa Loa (eye worm) MH2 domain-containing protein 0.0089 0.0178 0.0178
Schistosoma mansoni hypothetical protein 0.0371 0.2029 0.2199
Trypanosoma cruzi cAMP-specific phosphodiesterase, putative 0.0357 0.1934 0.2096
Trypanosoma cruzi hypothetical protein, conserved 0.0357 0.1934 0.2096
Trichomonas vaginalis cGMP-inhibited 3,5-cyclic phosphodiesterase, putative 0.1471 0.9227 0.9254
Echinococcus multilocularis atpase aaa+ type core atpase aaa type core 0.119 0.7392 0.8011
Toxoplasma gondii 3'5'-cyclic nucleotide phosphodiesterase domain-containing protein 0.0357 0.1934 0.2495
Trichomonas vaginalis calcium/calmodulin-dependent 3,5-cyclic nucleotide phosphodiesterase, putative 0.1471 0.9227 0.9254
Trichomonas vaginalis high-affinity cGMP-specific 3,5-cyclic phosphodiesterase, putative 0.1471 0.9227 0.9254
Trichomonas vaginalis high-affinity cGMP-specific 3,5-cyclic phosphodiesterase, putative 0.0789 0.4763 0.4778
Trypanosoma cruzi GAF domain/TIP41-like family, putative 0.0114 0.034 0.0369
Trypanosoma cruzi hypothetical protein, conserved 0.0357 0.1934 0.2096
Trypanosoma cruzi cAMP specific phosphodiesterase, putative 0.1471 0.9227 1
Trypanosoma cruzi cyclic nucleotide phosphodiesterase 0.0357 0.1934 0.2096
Echinococcus multilocularis dual 3',5' cyclic AMP and GMP phosphodiesterase 0.1471 0.9227 1
Brugia malayi Probable 3',5'-cyclic phosphodiesterase T04D3.3, putative 0.0917 0.56 0.56
Trichomonas vaginalis calcium/calmodulin-dependent 3,5-cyclic nucleotide phosphodiesterase, putative 0.0357 0.1934 0.1939
Trichomonas vaginalis rod cGMP-specific 3,5-cyclic phosphodiesterase, putative 0.1471 0.9227 0.9254
Trichomonas vaginalis calcium/calmodulin-dependent 3,5-cyclic nucleotide phosphodiesterase, putative 0.1471 0.9227 0.9254
Trypanosoma brucei cAMP-specific phosphodiesterase, putative 0.0357 0.1934 0.2096
Schistosoma mansoni ets-related 0.0163 0.0667 0.0723
Trichomonas vaginalis cyclic nucleotide phosphodiesterase, putative 0.1471 0.9227 0.9254
Toxoplasma gondii 3'5'-cyclic nucleotide phosphodiesterase domain-containing protein 0.0357 0.1934 0.2495
Echinococcus granulosus cAMP specific 3'5' cyclic phosphodiesterase 0.1245 0.775 0.84
Brugia malayi Probable 3',5'-cyclic phosphodiesterase R153.1, putative 0.0888 0.5414 0.5414
Toxoplasma gondii 3'5'-cyclic nucleotide phosphodiesterase domain-containing protein 0.0357 0.1934 0.2495
Trypanosoma cruzi cAMP specific phosphodiesterase, putative 0.1038 0.6397 0.6933
Trichomonas vaginalis cGMP-dependent 3,5-cyclic phosphodiesterase, putative 0.0789 0.4763 0.4778
Leishmania major cAMP-specific phosphodiesterase, putative 0.0357 0.1934 0.2096
Schistosoma mansoni high-affinity cgmp-specific 35-cyclic phosphodiesterase 0.0357 0.1934 0.2096
Echinococcus multilocularis cAMP specific 3',5' cyclic phosphodiesterase 0.0888 0.5414 0.5868
Trichomonas vaginalis rod cGMP-specific 3,5-cyclic phosphodiesterase, putative 0.1584 0.997 1
Trichomonas vaginalis cGMP-dependent 3,5-cyclic phosphodiesterase, putative 0.1471 0.9227 0.9254
Toxoplasma gondii 3'5'-cyclic nucleotide phosphodiesterase domain-containing protein 0.0357 0.1934 0.2495
Toxoplasma gondii 3'5'-cyclic nucleotide phosphodiesterase domain-containing protein 0.0357 0.1934 0.2495
Schistosoma mansoni camp-specific 35-cyclic phosphodiesterase 0.1245 0.775 0.84
Plasmodium vivax hypothetical protein, conserved 0.0432 0.2427 1
Trichomonas vaginalis cGMP-specific 3,5-cyclic phosphodiesterase, putative 0.1471 0.9227 0.9254
Trypanosoma cruzi cAMP specific phosphodiesterase, putative 0.1471 0.9227 1
Trichomonas vaginalis conserved hypothetical protein 0.1114 0.689 0.6911
Trypanosoma cruzi hypothetical protein, conserved 0.0357 0.1934 0.2096
Trichomonas vaginalis cyclic nucleotide phosphodiesterase, putative 0.0357 0.1934 0.1939
Leishmania major cAMP phosphodiesterase A, putative;with=GeneDB:LinJ18_V3.1100 0.0357 0.1934 0.2096
Trichomonas vaginalis cyclic nucleotide phosphodiesterase, putative 0.1471 0.9227 0.9254
Echinococcus multilocularis geminin 0.0371 0.2029 0.2199
Mycobacterium ulcerans two component sensor histidine kinase DevS 0.0546 0.317 1
Trichomonas vaginalis cAMP-specific 3,5-cyclic phosphodiesterase, putative 0.1471 0.9227 0.9254
Echinococcus multilocularis cAMP and cAMP inhibited cGMP 3',5' cyclic 0.0789 0.4763 0.5163
Echinococcus multilocularis high affinity cgmp specific 3' 5' cyclic 0.0357 0.1934 0.2096
Loa Loa (eye worm) PDE1B protein 0.0917 0.56 0.56
Trichomonas vaginalis high-affinity cGMP-specific 3,5-cyclic phosphodiesterase, putative 0.047 0.2677 0.2685
Loa Loa (eye worm) cyclic AMP specific phosphodiesterase PDE4D5A 0.0888 0.5414 0.5414
Trichomonas vaginalis cAMP-specific 3,5-cyclic phosphodiesterase, putative 0.1471 0.9227 0.9254
Toxoplasma gondii hypothetical protein 0.1114 0.689 0.889
Toxoplasma gondii 3'5'-cyclic nucleotide phosphodiesterase domain-containing protein 0.0357 0.1934 0.2495
Echinococcus multilocularis cAMP specific 3',5' cyclic phosphodiesterase 0.1245 0.775 0.84
Echinococcus granulosus geminin 0.0371 0.2029 0.2199
Echinococcus granulosus cAMP and cAMP inhibited cGMP 3'5' cyclic 0.0789 0.4763 0.5163
Toxoplasma gondii hypothetical protein 0.0432 0.2427 0.3131
Trichomonas vaginalis high-affinity cGMP-specific 3,5-cyclic phosphodiesterase, putative 0.1471 0.9227 0.9254
Trichomonas vaginalis calcium/calmodulin-dependent 3,5-cyclic nucleotide phosphodiesterase, putative 0.0789 0.4763 0.4778
Trichomonas vaginalis cGMP-dependent 3,5-cyclic phosphodiesterase, putative 0.1471 0.9227 0.9254
Trichomonas vaginalis cAMP and cAMP-inhibited cGMP 3,5-cyclic phosphodiesterase, putative 0.0357 0.1934 0.1939
Toxoplasma gondii 3'5'-cyclic nucleotide phosphodiesterase domain-containing protein 0.0357 0.1934 0.2495
Trichomonas vaginalis high-affinity cGMP-specific 3,5-cyclic phosphodiesterase, putative 0.0357 0.1934 0.1939
Mycobacterium tuberculosis Two component sensor histidine kinase DevS 0.0546 0.317 1
Brugia malayi 3'5'-cyclic nucleotide phosphodiesterase family protein 0.0357 0.1934 0.1934
Trichomonas vaginalis cGMP-dependent 3,5-cyclic phosphodiesterase, putative 0.0357 0.1934 0.1939
Toxoplasma gondii 3'5'-cyclic nucleotide phosphodiesterase domain-containing protein 0.0357 0.1934 0.2495
Trypanosoma brucei GAF domain/TIP41-like family, putative 0.0114 0.034 0.0369
Schistosoma mansoni cgmp-dependent 35-cyclic phosphodiesterase 0.1046 0.6444 0.6984
Trypanosoma brucei cAMP-specific phosphodiesterase 0.1471 0.9227 1
Trichomonas vaginalis cAMP/cGMP cyclic nucleotide phosphodiesterase, putative 0.1471 0.9227 0.9254
Loa Loa (eye worm) transcription factor SMAD2 0.0089 0.0178 0.0178
Trypanosoma cruzi cAMP phosphodiesterase A, putative 0.0357 0.1934 0.2096
Loa Loa (eye worm) hypothetical protein 0.1232 0.7663 0.7663
Trichomonas vaginalis cGMP-inhibited 3,5-cyclic phosphodiesterase, putative 0.0357 0.1934 0.1939
Echinococcus multilocularis cAMP specific 3',5' cyclic phosphodiesterase 0.1245 0.775 0.84
Toxoplasma gondii 3'5'-cyclic nucleotide phosphodiesterase domain-containing protein 0.0357 0.1934 0.2495
Trypanosoma brucei 3', 5'-cyclic nucleotide phosphodiesterase, putative 0.0357 0.1934 0.2096
Toxoplasma gondii 3'5'-cyclic nucleotide phosphodiesterase domain-containing protein 0.0357 0.1934 0.2495
Trichomonas vaginalis conserved hypothetical protein 0.1114 0.689 0.6911
Trichomonas vaginalis cyclic nucleotide phosphodiesterase, putative 0.1584 0.997 1
Trichomonas vaginalis cAMP-specific phosphodiesterase, putative 0.1471 0.9227 0.9254
Schistosoma mansoni camp/cgmp cyclic nucleotide phosphodiesterase 0.1471 0.9227 1
Toxoplasma gondii 3'5'-cyclic nucleotide phosphodiesterase domain-containing protein 0.0357 0.1934 0.2495
Giardia lamblia hypothetical protein 0.0357 0.1934 0.2495
Trichomonas vaginalis rod cGMP-specific 3,5-cyclic phosphodiesterase, putative 0.1471 0.9227 0.9254
Schistosoma mansoni camp-specific cyclic nucleotide phosphodiesterase 0.0357 0.1934 0.2096
Trichomonas vaginalis conserved hypothetical protein 0.0357 0.1934 0.1939
Leishmania major hypothetical protein, conserved 0.0357 0.1934 0.2096
Loa Loa (eye worm) hypothetical protein 0.0432 0.2427 0.2427
Toxoplasma gondii GAF domain-containing protein 0.0432 0.2427 0.3131
Trichomonas vaginalis conserved hypothetical protein 0.0432 0.2427 0.2434
Echinococcus granulosus cAMP specific 3'5' cyclic phosphodiesterase 0.0888 0.5414 0.5868
Schistosoma mansoni calcium/calmodulin-dependent 35-cyclic nucleotide phosphodiesterase 0.0917 0.56 0.607
Echinococcus granulosus dual 3'5' cyclic AMP and GMP phosphodiesterase 0.1471 0.9227 1
Trichomonas vaginalis high-affinity cGMP-specific 3,5-cyclic phosphodiesterase, putative 0.1471 0.9227 0.9254
Toxoplasma gondii 3'5'-cyclic nucleotide phosphodiesterase domain-containing protein 0.0357 0.1934 0.2495
Trichomonas vaginalis cyclic nucleotide phosphodiesterase, putative 0.0357 0.1934 0.1939
Echinococcus granulosus cAMP specific 3'5' cyclic phosphodiesterase 0.1245 0.775 0.84
Echinococcus granulosus calcium:calmodulin dependent 3'5' cyclic 0.0357 0.1934 0.2096
Toxoplasma gondii hypothetical protein 0.0432 0.2427 0.3131
Schistosoma mansoni camp-specific 35-cyclic phosphodiesterase 0.0357 0.1934 0.2096
Trichomonas vaginalis conserved hypothetical protein 0.0357 0.1934 0.1939
Trypanosoma brucei cAMP-specific phosphodiesterase 0.1471 0.9227 1
Trichomonas vaginalis calcium/calmodulin-dependent 3,5-cyclic nucleotide phosphodiesterase, putative 0.1471 0.9227 0.9254
Trichomonas vaginalis calcium/calmodulin-dependent 3,5-cyclic nucleotide phosphodiesterase, putative 0.1584 0.997 1
Toxoplasma gondii 3'5'-cyclic nucleotide phosphodiesterase domain-containing protein 0.0357 0.1934 0.2495
Trichomonas vaginalis cGMP-specific 3,5-cyclic phosphodiesterase, putative 0.1471 0.9227 0.9254

Activities

Activity type Activity value Assay description Source Reference
IC50 (binding) = 1.001 nM BindingDB_Patents: IMAP-FP Assay. Activated ERK2 activity was determined in an IMAP-FP assay (Molecular Devices). Using this assay format, the potency (IC50) of each compound was determined from a 10 point (1:3 serial dilution, 3 uM starting compound concentration) titration curve using the following outlined procedure. To each well of a black Corning 384-well plate (Corning Catalog #3575), 7.5 mL of compound (3333 fold dilution in final assay volume of 25 uL) was dispensed, followed by the addition of 15 uL of kinase buffer (tween containing kinase buffer, Molecular Devices) containing 0.0364 ng/mL (0.833 nM) of phosphorylated active hERK2 enzyme. Following a 15 minute compound & enzyme incubation, each reaction was initiated by the addition of 10 uL kinase buffer containing 2.45 uM ERK2 IMAP substrate peptides (2.25 uM-unlabeled IPTTPITTTYFFFK-COOH and 200 nM-labeled IPTTPITTTYFFFK-5FAM (5-carboxyfluorescein)-COOH), and 75 uM ATP. 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

Bibliographic References

No literature references available for this target.

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