Detailed information for compound 1639287

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 327.401 | Formula: C17H17N3O2S
  • H donors: 0 H acceptors: 2 LogP: 2.71 Rotable bonds: 3
    Rule of 5 violations (Lipinski): 1
  • SMILES: COc1cc2c(cc1OC)CCn1c2c(nc1C)c1cncs1
  • InChi: 1S/C17H17N3O2S/c1-10-19-16(15-8-18-9-23-15)17-12-7-14(22-3)13(21-2)6-11(12)4-5-20(10)17/h6-9H,4-5H2,1-3H3
  • InChiKey: OQHKHTONZCAETM-UHFFFAOYSA-N  


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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 phosphodiesterase 6B, cGMP-specific, rod, beta Starlite/ChEMBL References
Homo sapiens phosphodiesterase 4D, cAMP-specific Starlite/ChEMBL References
Homo sapiens phosphodiesterase 1B, calmodulin-dependent Starlite/ChEMBL References
Homo sapiens phosphodiesterase 5A, cGMP-specific Starlite/ChEMBL References
Homo sapiens phosphodiesterase 6C, cGMP-specific, cone, alpha prime References
Homo sapiens phosphodiesterase 1A, calmodulin-dependent References
Homo sapiens phosphodiesterase 9A Starlite/ChEMBL References
Homo sapiens phosphodiesterase 6A, cGMP-specific, rod, alpha References
Homo sapiens phosphodiesterase 4C, cAMP-specific References
Homo sapiens phosphodiesterase 8A References
Homo sapiens phosphodiesterase 6D, cGMP-specific, rod, delta References
Homo sapiens phosphodiesterase 4B, cAMP-specific References
Homo sapiens phosphodiesterase 2A, cGMP-stimulated Starlite/ChEMBL References
Homo sapiens phosphodiesterase 8B Starlite/ChEMBL References
Homo sapiens phosphodiesterase 3A, cGMP-inhibited Starlite/ChEMBL References
Homo sapiens phosphodiesterase 11A Starlite/ChEMBL References
Homo sapiens phosphodiesterase 6G, cGMP-specific, rod, gamma Starlite/ChEMBL References
Homo sapiens phosphodiesterase 7A Starlite/ChEMBL References
Homo sapiens phosphodiesterase 6H, cGMP-specific, cone, gamma Starlite/ChEMBL References
Homo sapiens phosphodiesterase 10A Starlite/ChEMBL References
Homo sapiens phosphodiesterase 1C, calmodulin-dependent 70kDa References

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Cryptosporidium parvum cGMP phosphodiesterase A4 Get druggable targets OG5_128202 All targets in OG5_128202
Schistosoma japonicum hypothetical protein Get druggable targets OG5_128202 All targets in OG5_128202
Trypanosoma cruzi cAMP phosphodiesterase A, putative Get druggable targets OG5_128202 All targets in OG5_128202
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_132370 All targets in OG5_132370
Trichomonas vaginalis cGMP-specific 3,5-cyclic phosphodiesterase, putative Get druggable targets OG5_127318 All targets in OG5_127318
Trichomonas vaginalis calcium/calmodulin-dependent 3,5-cyclic nucleotide phosphodiesterase, putative Get druggable targets OG5_127318 All targets in OG5_127318
Schistosoma mansoni camp/cgmp cyclic nucleotide phosphodiesterase Get druggable targets OG5_127318 All targets in OG5_127318
Leishmania mexicana phosphodiesterase, putative Get druggable targets OG5_128202 All targets in OG5_128202
Schistosoma japonicum Dual 3',5'-cyclic-AMP and -GMP phosphodiesterase 11, putative Get druggable targets OG5_127318 All targets in OG5_127318
Brugia malayi 3'5'-cyclic nucleotide phosphodiesterase family protein Get druggable targets OG5_132613 All targets in OG5_132613
Schistosoma japonicum hypothetical protein Get druggable targets OG5_130653 All targets in OG5_130653
Trichomonas vaginalis cAMP and cAMP-inhibited cGMP 3,5-cyclic phosphodiesterase, putative Get druggable targets OG5_127318 All targets in OG5_127318
Echinococcus granulosus cAMP specific 3'5' cyclic phosphodiesterase Get druggable targets OG5_128242 All targets in OG5_128242
Schistosoma japonicum ko:K01120 3',5'-cyclic-nucleotide phosphodiesterase [EC3.1.4.17], putative Get druggable targets OG5_132370 All targets in OG5_132370
Brugia malayi Probable 3',5'-cyclic phosphodiesterase C32E12.2, putative Get druggable targets OG5_135363 All targets in OG5_135363
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_130653 All targets in OG5_130653
Trichomonas vaginalis conserved hypothetical protein Get druggable targets OG5_127318 All targets in OG5_127318
Schistosoma japonicum Dual 3',5'-cyclic-AMP and -GMP phosphodiesterase 11, putative Get druggable targets OG5_127318 All targets in OG5_127318
Toxoplasma gondii hypothetical protein Get druggable targets OG5_127318 All targets in OG5_127318
Leishmania donovani cAMP specific phosphodiesterase, putative Get druggable targets OG5_127318 All targets in OG5_127318
Schistosoma japonicum cAMP-specific 3',5'-cyclic phosphodiesterase 4D, putative Get druggable targets OG5_128242 All targets in OG5_128242
Schistosoma japonicum ko:K01120 3',5'-cyclic-nucleotide phosphodiesterase [EC3.1.4.17], putative Get druggable targets OG5_130653 All targets in OG5_130653
Schistosoma japonicum ko:K01120 3',5'-cyclic-nucleotide phosphodiesterase [EC3.1.4.17], putative Get druggable targets OG5_130344 All targets in OG5_130344
Plasmodium yoelii cGMP phosphodiesterase A4, putative Get druggable targets OG5_130344 All targets in OG5_130344
Trichomonas vaginalis conserved hypothetical protein Get druggable targets OG5_127318 All targets in OG5_127318
Cryptosporidium hominis hypothetical protein Get druggable targets OG5_128242 All targets in OG5_128242
Leishmania braziliensis cAMP specific phosphodiesterase, putative Get druggable targets OG5_127318 All targets in OG5_127318
Loa Loa (eye worm) calcium/calmodulin-stimulated cyclic nucleotide phosphodiesterase Get druggable targets OG5_130653 All targets in OG5_130653
Trichomonas vaginalis cyclic nucleotide phosphodiesterase, putative Get druggable targets OG5_127318 All targets in OG5_127318
Neospora caninum cAMP-specific phosphodiesterase, putative Get druggable targets OG5_128242 All targets in OG5_128242
Schistosoma japonicum cAMP-specific 3',5'-cyclic phosphodiesterase, isoform F, putative Get druggable targets OG5_128242 All targets in OG5_128242
Trichomonas vaginalis cAMP-specific phosphodiesterase, putative Get druggable targets OG5_127318 All targets in OG5_127318
Trichomonas vaginalis calcium/calmodulin-dependent 3,5-cyclic nucleotide phosphodiesterase, putative Get druggable targets OG5_127318 All targets in OG5_127318
Trichomonas vaginalis cGMP-inhibited 3,5-cyclic phosphodiesterase, putative Get druggable targets OG5_127318 All targets in OG5_127318
Trichomonas vaginalis cone cGMP-specific 3,5-cyclic phosphodiesterase, putative Get druggable targets OG5_127318 All targets in OG5_127318
Trichomonas vaginalis cGMP-specific 3,5-cyclic phosphodiesterase, putative Get druggable targets OG5_127318 All targets in OG5_127318
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_130653 All targets in OG5_130653
Toxoplasma gondii 3'5'-cyclic nucleotide phosphodiesterase domain-containing protein Get druggable targets OG5_130344 All targets in OG5_130344
Trypanosoma brucei cAMP-specific phosphodiesterase Get druggable targets OG5_127318 All targets in OG5_127318
Echinococcus granulosus calcium:calmodulin dependent 3'5' cyclic Get druggable targets OG5_128202 All targets in OG5_128202
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_132613 All targets in OG5_132613
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_135363 All targets in OG5_135363
Echinococcus granulosus calcium:calmodulin dependent 3'5' cyclic Get druggable targets OG5_128202 All targets in OG5_128202
Trichomonas vaginalis high-affinity cGMP-specific 3,5-cyclic phosphodiesterase, putative Get druggable targets OG5_127318 All targets in OG5_127318
Trichomonas vaginalis rod cGMP-specific 3,5-cyclic phosphodiesterase, putative Get druggable targets OG5_127318 All targets in OG5_127318
Cryptosporidium parvum membrane associated HD superfamily cyclic nucleotide phosphodiesterase domain containing protein Get druggable targets OG5_128242 All targets in OG5_128242
Neospora caninum hypothetical protein Get druggable targets OG5_128202 All targets in OG5_128202
Trypanosoma brucei gambiense cAMP-specific phosphodiesterase, putative Get druggable targets OG5_127318 All targets in OG5_127318
Brugia malayi hypothetical protein Get druggable targets OG5_132370 All targets in OG5_132370
Giardia lamblia CAMP-specific 3,5-cyclic phosphodiesterase 4B Get druggable targets OG5_128242 All targets in OG5_128242
Leishmania braziliensis cAMP phosphodiesterase A, putative;with=GeneDB:LinJ18_V3.1100 Get druggable targets OG5_128202 All targets in OG5_128202
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_132613 All targets in OG5_132613
Schistosoma japonicum hypothetical protein Get druggable targets OG5_130653 All targets in OG5_130653
Trichomonas vaginalis high-affinity cGMP-specific 3,5-cyclic phosphodiesterase, putative Get druggable targets OG5_127318 All targets in OG5_127318
Brugia malayi 3'5'-cyclic nucleotide phosphodiesterase family protein Get druggable targets OG5_135549 All targets in OG5_135549
Schistosoma japonicum cGMP-dependent 3',5'-cyclic phosphodiesterase, putative Get druggable targets OG5_135549 All targets in OG5_135549
Echinococcus multilocularis cAMP specific 3',5' cyclic phosphodiesterase Get druggable targets OG5_128242 All targets in OG5_128242
Schistosoma mansoni camp-specific cyclic nucleotide phosphodiesterase Get druggable targets OG5_130653 All targets in OG5_130653
Neospora caninum 3,5-cyclic phosphodiesterase, putative Get druggable targets OG5_128202 All targets in OG5_128202
Echinococcus multilocularis high affinity cgmp specific 3' 5' cyclic Get druggable targets OG5_130344 All targets in OG5_130344
Schistosoma mansoni calcium/calmodulin-dependent 35-cyclic nucleotide phosphodiesterase Get druggable targets OG5_128202 All targets in OG5_128202
Schistosoma mansoni cgmp-dependent 35-cyclic phosphodiesterase Get druggable targets OG5_135549 All targets in OG5_135549
Trichomonas vaginalis conserved hypothetical protein Get druggable targets OG5_127318 All targets in OG5_127318
Leishmania mexicana cAMP specific phosphodiesterase, putative Get druggable targets OG5_127318 All targets in OG5_127318
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_130653 All targets in OG5_130653
Trypanosoma congolense cAMP-specific phosphodiesterase, putative Get druggable targets OG5_127318 All targets in OG5_127318
Cryptosporidium hominis cGMP phosphodiesterase A4 Get druggable targets OG5_128202 All targets in OG5_128202
Echinococcus multilocularis high affinity cAMP specific 3',5' cyclic Get druggable targets OG5_133100 All targets in OG5_133100
Neospora caninum hypothetical protein Get druggable targets OG5_128202 All targets in OG5_128202
Toxoplasma gondii 3'5'-cyclic nucleotide phosphodiesterase domain-containing protein Get druggable targets OG5_128242 All targets in OG5_128242
Plasmodium berghei 3',5'-cyclic nucleotide phosphodiesterase, putative Get druggable targets OG5_130344 All targets in OG5_130344
Trichomonas vaginalis calcium/calmodulin-dependent 3,5-cyclic nucleotide phosphodiesterase, putative Get druggable targets OG5_127318 All targets in OG5_127318
Trichomonas vaginalis conserved hypothetical protein Get druggable targets OG5_127318 All targets in OG5_127318
Schistosoma mansoni high-affinity cgmp-specific 35-cyclic phosphodiesterase Get druggable targets OG5_130344 All targets in OG5_130344
Schistosoma japonicum expressed protein Get druggable targets OG5_127318 All targets in OG5_127318
Trypanosoma cruzi cAMP specific phosphodiesterase, putative Get druggable targets OG5_127318 All targets in OG5_127318
Trichomonas vaginalis cGMP-dependent 3,5-cyclic phosphodiesterase, putative Get druggable targets OG5_127318 All targets in OG5_127318
Trichomonas vaginalis cAMP/cGMP cyclic nucleotide phosphodiesterase, putative Get druggable targets OG5_127318 All targets in OG5_127318
Trypanosoma congolense 3', 5'-cyclic nucleotide phosphodiesterase, putative Get druggable targets OG5_128202 All targets in OG5_128202
Loa Loa (eye worm) cyclic AMP specific phosphodiesterase PDE4D5A Get druggable targets OG5_128242 All targets in OG5_128242
Trichomonas vaginalis calcium/calmodulin-dependent 3,5-cyclic nucleotide phosphodiesterase, putative Get druggable targets OG5_127318 All targets in OG5_127318
Leishmania braziliensis cAMP specific phosphodiesterase, putative Get druggable targets OG5_127318 All targets in OG5_127318
Trichomonas vaginalis cGMP-dependent 3,5-cyclic phosphodiesterase, putative Get druggable targets OG5_127318 All targets in OG5_127318
Echinococcus multilocularis calcium:calmodulin dependent 3',5' cyclic Get druggable targets OG5_128202 All targets in OG5_128202
Trichomonas vaginalis cAMP-specific phosphodiesterase, putative Get druggable targets OG5_127318 All targets in OG5_127318
Brugia malayi Probable 3',5'-cyclic phosphodiesterase T04D3.3, putative Get druggable targets OG5_128202 All targets in OG5_128202
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_135363 All targets in OG5_135363
Brugia malayi 3'5'-cyclic nucleotide phosphodiesterase family protein Get druggable targets OG5_130653 All targets in OG5_130653
Babesia bovis 3'5'-cyclic nucleotide phosphodiesterase, putative Get druggable targets OG5_130344 All targets in OG5_130344
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_128242 All targets in OG5_128242
Trichomonas vaginalis cAMP-specific phosphodiesterase, putative Get druggable targets OG5_127318 All targets in OG5_127318
Trichomonas vaginalis rod cGMP-specific 3,5-cyclic phosphodiesterase, putative Get druggable targets OG5_127318 All targets in OG5_127318
Candida albicans similar to S. cerevisiae PDE2 (YOR360C) cAMP phosphodiesterase Get druggable targets OG5_127318 All targets in OG5_127318
Trichomonas vaginalis rod cGMP-specific 3,5-cyclic phosphodiesterase, putative Get druggable targets OG5_127318 All targets in OG5_127318
Trichomonas vaginalis high-affinity cGMP-specific 3,5-cyclic phosphodiesterase, putative Get druggable targets OG5_127318 All targets in OG5_127318
Schistosoma japonicum cAMP-specific 3',5'-cyclic phosphodiesterase 4D, putative Get druggable targets OG5_128242 All targets in OG5_128242
Echinococcus multilocularis calcium:calmodulin dependent 3',5' cyclic Get druggable targets OG5_128202 All targets in OG5_128202
Trichomonas vaginalis cone cGMP-specific 3,5-cyclic phosphodiesterase, putative Get druggable targets OG5_127318 All targets in OG5_127318
Leishmania infantum cAMP specific phosphodiesterase, putative Get druggable targets OG5_127318 All targets in OG5_127318
Schistosoma japonicum cGMP-dependent 3',5'-cyclic phosphodiesterase, putative Get druggable targets OG5_135549 All targets in OG5_135549
Leishmania major cAMP phosphodiesterase A, putative;with=GeneDB:LinJ18_V3.1100 Get druggable targets OG5_128202 All targets in OG5_128202
Brugia malayi Probable 3',5'-cyclic phosphodiesterase R153.1, putative Get druggable targets OG5_128242 All targets in OG5_128242
Trichomonas vaginalis high-affinity cGMP-specific 3,5-cyclic phosphodiesterase, putative Get druggable targets OG5_127318 All targets in OG5_127318
Trichomonas vaginalis calcium/calmodulin-dependent 3,5-cyclic nucleotide phosphodiesterase, putative Get druggable targets OG5_127318 All targets in OG5_127318
Echinococcus granulosus high affinity cgmp specific 3' 5' cyclic Get druggable targets OG5_130344 All targets in OG5_130344
Plasmodium knowlesi 3',5'-cyclic nucleotide phosphodiesterase, putative Get druggable targets OG5_130344 All targets in OG5_130344
Trichomonas vaginalis cyclic nucleotide phosphodiesterase, putative Get druggable targets OG5_127318 All targets in OG5_127318
Echinococcus multilocularis dual 3',5' cyclic AMP and GMP phosphodiesterase Get druggable targets OG5_127318 All targets in OG5_127318
Trypanosoma brucei cAMP-specific phosphodiesterase Get druggable targets OG5_127318 All targets in OG5_127318
Loa Loa (eye worm) PDE1B protein Get druggable targets OG5_128202 All targets in OG5_128202
Trichomonas vaginalis cyclic nucleotide phosphodiesterase, putative Get druggable targets OG5_127318 All targets in OG5_127318
Toxoplasma gondii 3'5'-cyclic nucleotide phosphodiesterase domain-containing protein Get druggable targets OG5_128202 All targets in OG5_128202
Echinococcus granulosus cAMP and cAMP inhibited cGMP 3'5' cyclic Get druggable targets OG5_135363 All targets in OG5_135363
Trypanosoma cruzi cAMP specific phosphodiesterase, putative Get druggable targets OG5_127318 All targets in OG5_127318
Schistosoma mansoni retinal rod rhodopsin-sensitive cgmp 3'5'-cyclic phosphodiesterase Get druggable targets OG5_132370 All targets in OG5_132370
Plasmodium falciparum 3',5'-cyclic nucleotide phosphodiesterase, putative Get druggable targets OG5_130344 All targets in OG5_130344
Trypanosoma brucei cAMP phosphodiesterase A, putative Get druggable targets OG5_128202 All targets in OG5_128202
Neospora caninum hypothetical protein Get druggable targets OG5_130344 All targets in OG5_130344
Echinococcus granulosus cAMP specific 3'5' cyclic phosphodiesterase Get druggable targets OG5_128242 All targets in OG5_128242
Trypanosoma cruzi cAMP phosphodiesterase A, putative Get druggable targets OG5_128202 All targets in OG5_128202
Leishmania infantum cAMP specific phosphodiesterase, putative Get druggable targets OG5_127318 All targets in OG5_127318
Plasmodium yoelii asparagine-rich protein Get druggable targets OG5_130344 All targets in OG5_130344
Trypanosoma brucei gambiense cAMP-specific phosphodiesterase, putative Get druggable targets OG5_127318 All targets in OG5_127318
Echinococcus multilocularis cAMP specific 3',5' cyclic phosphodiesterase Get druggable targets OG5_128242 All targets in OG5_128242
Schistosoma japonicum High affinity cGMP-specific 3',5'-cyclic phosphodiesterase 9A, putative Get druggable targets OG5_130344 All targets in OG5_130344
Schistosoma japonicum ko:K01120 3',5'-cyclic-nucleotide phosphodiesterase [EC3.1.4.17], putative Get druggable targets OG5_135549 All targets in OG5_135549
Echinococcus multilocularis cAMP and cAMP inhibited cGMP 3',5' cyclic Get druggable targets OG5_135363 All targets in OG5_135363
Trichomonas vaginalis cAMP-specific 3,5-cyclic phosphodiesterase, putative Get druggable targets OG5_127318 All targets in OG5_127318
Echinococcus granulosus cAMP specific 3'5' cyclic phosphodiesterase Get druggable targets OG5_128242 All targets in OG5_128242
Schistosoma japonicum Dual 3',5'-cyclic-AMP and -GMP phosphodiesterase 11, putative Get druggable targets OG5_127318 All targets in OG5_127318
Schistosoma japonicum IPR002073,3'5'-cyclic nucleotide phosphodiesterase,domain-containing Get druggable targets OG5_128242 All targets in OG5_128242
Trichomonas vaginalis retinal rod rhodopsin-sensitive cGMP 3',5'-cyclic phosphodiesterase, putative Get druggable targets OG5_132370 All targets in OG5_132370
Leishmania donovani phosphodiesterase, putative Get druggable targets OG5_128202 All targets in OG5_128202
Trichomonas vaginalis cAMP-specific 3,5-cyclic phosphodiesterase, putative Get druggable targets OG5_127318 All targets in OG5_127318
Echinococcus granulosus high affinity cAMP specific 3'5' cyclic Get druggable targets OG5_133100 All targets in OG5_133100
Trypanosoma cruzi cAMP specific phosphodiesterase, putative Get druggable targets OG5_127318 All targets in OG5_127318
Trichomonas vaginalis cGMP-specific 3,5-cyclic phosphodiesterase, putative Get druggable targets OG5_127318 All targets in OG5_127318
Plasmodium vivax 3',5'-cyclic nucleotide phosphodiesterase, putative Get druggable targets OG5_128202 All targets in OG5_128202
Trypanosoma congolense cAMP-specific phosphodiesterase Get druggable targets OG5_127318 All targets in OG5_127318
Leishmania infantum cAMP phosphodiesterase A Get druggable targets OG5_128202 All targets in OG5_128202
Schistosoma japonicum cAMP-specific 3',5'-cyclic phosphodiesterase 4C, putative Get druggable targets OG5_128242 All targets in OG5_128242
Echinococcus multilocularis cAMP specific 3',5' cyclic phosphodiesterase Get druggable targets OG5_128242 All targets in OG5_128242
Trypanosoma brucei gambiense 3, 5-cyclic nucleotide phosphodiesterase, putative Get druggable targets OG5_128202 All targets in OG5_128202
Toxoplasma gondii 3'5'-cyclic nucleotide phosphodiesterase domain-containing protein Get druggable targets OG5_128202 All targets in OG5_128202
Leishmania mexicana cAMP specific phosphodiesterase, putative Get druggable targets OG5_127318 All targets in OG5_127318
Schistosoma japonicum ko:K06927 endoribonuclease, putative Get druggable targets OG5_130344 All targets in OG5_130344
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_130653 All targets in OG5_130653
Echinococcus granulosus dual 3'5' cyclic AMP and GMP phosphodiesterase Get druggable targets OG5_127318 All targets in OG5_127318
Candida albicans similar to S. cerevisiae PDE2 (YOR360C) cAMP phosphodiesterase Get druggable targets OG5_127318 All targets in OG5_127318
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_135549 All targets in OG5_135549
Schistosoma mansoni camp-specific 35-cyclic phosphodiesterase Get druggable targets OG5_128242 All targets in OG5_128242
Trypanosoma cruzi cAMP specific phosphodiesterase, putative Get druggable targets OG5_127318 All targets in OG5_127318
By sequence similarity to non orthologous known druggable targets
Species Potential target Known druggable target Length Alignment span Identity
Schistosoma mansoni camp/cgmp cyclic nucleotide phosphodiesterase phosphodiesterase 2A, cGMP-stimulated 934 aa 748 aa 27.1 %
Trypanosoma brucei cAMP-specific phosphodiesterase phosphodiesterase 6B, cGMP-specific, rod, beta 854 aa 805 aa 25.7 %
Trypanosoma brucei cAMP-specific phosphodiesterase phosphodiesterase 6C, cGMP-specific, cone, alpha prime 858 aa 763 aa 27.4 %
Brugia malayi 3'5'-cyclic nucleotide phosphodiesterase family protein phosphodiesterase 11A 489 aa 471 aa 34.4 %
Trypanosoma brucei cAMP-specific phosphodiesterase phosphodiesterase 6A, cGMP-specific, rod, alpha 860 aa 777 aa 25.9 %
Trypanosoma brucei Ras-related protein RAB2B, putative phosphodiesterase 6D, cGMP-specific, rod, delta 93 aa 81 aa 28.4 %
Trichomonas vaginalis calcium/calmodulin-dependent 3,5-cyclic nucleotide phosphodiesterase, putative phosphodiesterase 1B, calmodulin-dependent 536 aa 465 aa 28.2 %
Trypanosoma brucei cAMP-specific phosphodiesterase phosphodiesterase 10A 789 aa 666 aa 30.2 %
Toxoplasma gondii FATC domain-containing protein phosphodiesterase 6G, cGMP-specific, rod, gamma 87 aa 71 aa 35.2 %
Obtained from network model

Ranking Plot

Putative Targets List

Species Potential target Raw Global Species
Trichomonas vaginalis high-affinity cGMP-specific 3,5-cyclic phosphodiesterase, putative 0.0972 0.1163 0.9272
Schistosoma mansoni camp/cgmp cyclic nucleotide phosphodiesterase 0.0972 0.1163 0.9433
Plasmodium vivax hypothetical protein, conserved 0.055 0.0328 1
Echinococcus multilocularis cAMP specific 3',5' cyclic phosphodiesterase 0.0633 0.0492 0.0329
Trichomonas vaginalis rod cGMP-specific 3,5-cyclic phosphodiesterase, putative 0.1018 0.1255 1
Trichomonas vaginalis calcium/calmodulin-dependent 3,5-cyclic nucleotide phosphodiesterase, putative 0.0972 0.1163 0.9272
Toxoplasma gondii 3'5'-cyclic nucleotide phosphodiesterase domain-containing protein 0.0548 0.0322 0.4738
Echinococcus granulosus cAMP specific 3'5' cyclic phosphodiesterase 0.0633 0.0492 0.0329
Trichomonas vaginalis calcium/calmodulin-dependent 3,5-cyclic nucleotide phosphodiesterase, putative 0.0972 0.1163 0.9272
Trypanosoma cruzi cAMP specific phosphodiesterase, putative 0.0972 0.1163 1
Echinococcus multilocularis calcium:calmodulin dependent 3',5' cyclic 0.1002 0.1223 0.1073
Trypanosoma brucei cAMP-specific phosphodiesterase 0.0972 0.1163 1
Loa Loa (eye worm) hypothetical protein 0.0839 0.09 0.0739
Trichomonas vaginalis high-affinity cGMP-specific 3,5-cyclic phosphodiesterase, putative 0.089 0.1 0.7971
Echinococcus multilocularis high affinity cAMP specific 3',5' cyclic 0.0794 0.081 0.0652
Trichomonas vaginalis cGMP-dependent 3,5-cyclic phosphodiesterase, putative 0.0972 0.1163 0.9272
Loa Loa (eye worm) hypothetical protein 0.0994 0.1207 0.1076
Toxoplasma gondii 3'5'-cyclic nucleotide phosphodiesterase domain-containing protein 0.0548 0.0322 0.4738
Echinococcus granulosus high affinity cAMP specific 3'5' cyclic 0.0794 0.081 0.0652
Brugia malayi Probable 3',5'-cyclic phosphodiesterase T04D3.3, putative 0.1002 0.1223 0.0901
Mycobacterium leprae Probable imidazole glycerol-phosphate dehydratase HisB 0.0908 0.1036 1
Trichomonas vaginalis calcium/calmodulin-dependent 3,5-cyclic nucleotide phosphodiesterase, putative 0.0972 0.1163 0.9272
Echinococcus granulosus calcium:calmodulin dependent 3'5' cyclic 0.0548 0.0322 0.0156
Trichomonas vaginalis rod cGMP-specific 3,5-cyclic phosphodiesterase, putative 0.0972 0.1163 0.9272
Trichomonas vaginalis calcium/calmodulin-dependent 3,5-cyclic nucleotide phosphodiesterase, putative 0.1018 0.1255 1
Echinococcus multilocularis calcium:calmodulin dependent 3',5' cyclic 0.0548 0.0322 0.0156
Trichomonas vaginalis cyclic nucleotide phosphodiesterase, putative 0.0972 0.1163 0.9272
Trichomonas vaginalis cGMP-dependent 3,5-cyclic phosphodiesterase, putative 0.0972 0.1163 0.9272
Trichomonas vaginalis cAMP-specific 3,5-cyclic phosphodiesterase, putative 0.0972 0.1163 0.9272
Trichomonas vaginalis calcium/calmodulin-dependent 3,5-cyclic nucleotide phosphodiesterase, putative 0.0972 0.1163 0.9272
Mycobacterium ulcerans imidazoleglycerol-phosphate dehydratase 0.184 0.2885 1
Toxoplasma gondii hypothetical protein 0.055 0.0328 0.4916
Echinococcus granulosus cAMP and cAMP inhibited cGMP 3'5' cyclic 0.5428 1 1
Loa Loa (eye worm) calcium/calmodulin-stimulated cyclic nucleotide phosphodiesterase 0.0564 0.0354 0.0139
Loa Loa (eye worm) hypothetical protein 0.4538 0.8236 0.88
Trichomonas vaginalis cAMP-specific 3,5-cyclic phosphodiesterase, putative 0.0972 0.1163 0.9272
Mycobacterium tuberculosis Two component sensor histidine kinase DevS 0.0597 0.0419 0.0357
Trichomonas vaginalis conserved hypothetical protein 0.055 0.0328 0.261
Trypanosoma cruzi cAMP specific phosphodiesterase, putative 0.0972 0.1163 1
Giardia lamblia CAMP-specific 3,5-cyclic phosphodiesterase 4B 0.0633 0.0492 0.5
Echinococcus multilocularis cAMP and cAMP inhibited cGMP 3',5' cyclic 0.5428 1 1
Schistosoma mansoni camp-specific cyclic nucleotide phosphodiesterase 0.0564 0.0354 0.1755
Loa Loa (eye worm) hypothetical protein 0.0564 0.0354 0.0139
Loa Loa (eye worm) PDE1B protein 0.1002 0.1223 0.1094
Trichomonas vaginalis cGMP-dependent 3,5-cyclic phosphodiesterase, putative 0.089 0.1 0.7971
Trypanosoma cruzi cAMP specific phosphodiesterase, putative 0.0972 0.1163 1
Trichomonas vaginalis cyclic nucleotide phosphodiesterase, putative 0.1018 0.1255 1
Trichomonas vaginalis cAMP/cGMP cyclic nucleotide phosphodiesterase, putative 0.0972 0.1163 0.9272
Schistosoma mansoni camp-specific 35-cyclic phosphodiesterase 0.0633 0.0492 0.3066
Trichomonas vaginalis cone cGMP-specific 3,5-cyclic phosphodiesterase, putative 0.0972 0.1163 0.9272
Trypanosoma cruzi cAMP phosphodiesterase A, putative 0.0548 0.0322 0.229
Trichomonas vaginalis rod cGMP-specific 3,5-cyclic phosphodiesterase, putative 0.0972 0.1163 0.9272
Trichomonas vaginalis conserved hypothetical protein 0.0633 0.0491 0.3911
Echinococcus multilocularis dual 3',5' cyclic AMP and GMP phosphodiesterase 0.0972 0.1163 0.1012
Schistosoma mansoni calcium/calmodulin-dependent 35-cyclic nucleotide phosphodiesterase 0.1002 0.1223 1
Toxoplasma gondii hypothetical protein 0.055 0.0328 0.4916
Trichomonas vaginalis high-affinity cGMP-specific 3,5-cyclic phosphodiesterase, putative 0.0972 0.1163 0.9272
Echinococcus granulosus dual 3'5' cyclic AMP and GMP phosphodiesterase 0.0972 0.1163 0.1012
Brugia malayi 3'5'-cyclic nucleotide phosphodiesterase family protein 0.0839 0.09 0.0566
Loa Loa (eye worm) hypothetical protein 0.0633 0.0492 0.0291
Toxoplasma gondii 3'5'-cyclic nucleotide phosphodiesterase domain-containing protein 0.0633 0.0492 1
Trichomonas vaginalis cAMP-specific phosphodiesterase, putative 0.0972 0.1163 0.9272
Trichomonas vaginalis high-affinity cGMP-specific 3,5-cyclic phosphodiesterase, putative 0.0972 0.1163 0.9272
Trichomonas vaginalis cAMP and cAMP-inhibited cGMP 3,5-cyclic phosphodiesterase, putative 0.0422 0.0072 0.0573
Trichomonas vaginalis cGMP-inhibited 3,5-cyclic phosphodiesterase, putative 0.0972 0.1163 0.9272
Trichomonas vaginalis calcium/calmodulin-dependent 3,5-cyclic nucleotide phosphodiesterase, putative 0.089 0.1 0.7971
Trypanosoma cruzi cAMP phosphodiesterase A, putative 0.0548 0.0322 0.229
Trichomonas vaginalis conserved hypothetical protein 0.1018 0.1255 1
Brugia malayi 3'5'-cyclic nucleotide phosphodiesterase family protein 0.0994 0.1207 0.0884
Echinococcus multilocularis cAMP specific 3',5' cyclic phosphodiesterase 0.0633 0.0492 0.0329
Echinococcus granulosus cAMP specific 3'5' cyclic phosphodiesterase 0.0633 0.0492 0.0329
Echinococcus granulosus calcium:calmodulin dependent 3'5' cyclic 0.1002 0.1223 0.1073
Trichomonas vaginalis high-affinity cGMP-specific 3,5-cyclic phosphodiesterase, putative 0.0972 0.1163 0.9272
Trichomonas vaginalis conserved hypothetical protein 0.0633 0.0491 0.3911
Loa Loa (eye worm) hypothetical protein 0.5089 0.9327 1
Trichomonas vaginalis cyclic nucleotide phosphodiesterase, putative 0.0972 0.1163 0.9272
Trichomonas vaginalis conserved hypothetical protein 0.0633 0.0491 0.3911
Trichomonas vaginalis cone cGMP-specific 3,5-cyclic phosphodiesterase, putative 0.0972 0.1163 0.9272
Toxoplasma gondii hypothetical protein 0.0633 0.0491 0.9964
Trichomonas vaginalis cGMP-specific 3,5-cyclic phosphodiesterase, putative 0.0972 0.1163 0.9272
Trypanosoma brucei cAMP-specific phosphodiesterase 0.0972 0.1163 1
Mycobacterium ulcerans two component sensor histidine kinase DevS 0.0597 0.0419 0.0357
Trichomonas vaginalis cAMP-specific phosphodiesterase, putative 0.0972 0.1163 0.9272
Trichomonas vaginalis cGMP-specific 3,5-cyclic phosphodiesterase, putative 0.0972 0.1163 0.9272
Trichomonas vaginalis cAMP-specific phosphodiesterase, putative 0.0422 0.0072 0.0573
Mycobacterium tuberculosis Probable imidazole glycerol-phosphate dehydratase HisB 0.184 0.2885 1
Schistosoma mansoni cgmp-dependent 35-cyclic phosphodiesterase 0.0994 0.1207 0.9845
Plasmodium falciparum GAF domain-related protein, putative 0.055 0.0328 1
Trichomonas vaginalis cGMP-specific 3,5-cyclic phosphodiesterase, putative 0.0972 0.1163 0.9272
Toxoplasma gondii GAF domain-containing protein 0.055 0.0328 0.4916

Activities

Activity type Activity value Assay description Source Reference
CLH (ADMET) = 7.5 uL/min Clearance in human hepatocytes assessed per 10'6 cells ChEMBL. 22377514
Inhibition (binding) = 10 % Inhibition of human ERG at 10 uM ChEMBL. 22377514
Ki (binding) = 20 nM Inhibition of human recombinant PDE10A assessed as inhibition of [3H]cAMP hydrolysis by scintillation proximity assay ChEMBL. 22377514
Ki (binding) = 968 nM Inhibition of human recombinant PDE3A assessed as inhibition of [3H]cAMP hydrolysis by scintillation proximity assay ChEMBL. 22377514
Ki (binding) = 6119 nM Inhibition of human recombinant PDE7A1 assessed as inhibition of [3H]cAMP hydrolysis by scintillation proximity assay ChEMBL. 22377514
Ki (binding) > 7100 nM Inhibition of human recombinant PDE1 assessed as inhibition of [3H]cAMP hydrolysis by scintillation proximity assay ChEMBL. 22377514
Ki (binding) > 7100 nM Inhibition of human recombinant PDE2 assessed as inhibition of [3H]cAMP hydrolysis by scintillation proximity assay ChEMBL. 22377514
Ki (binding) > 7100 nM Inhibition of human recombinant PDE4 assessed as inhibition of [3H]cAMP hydrolysis by scintillation proximity assay ChEMBL. 22377514
Ki (binding) > 7100 nM Inhibition of human recombinant PDE5 assessed as inhibition of [3H]cAMP hydrolysis by scintillation proximity assay ChEMBL. 22377514
Ki (binding) > 7100 nM Inhibition of human recombinant PDE6 assessed as inhibition of [3H]cAMP hydrolysis by scintillation proximity assay ChEMBL. 22377514
Ki (binding) > 7100 nM Inhibition of human recombinant PDE8 assessed as inhibition of [3H]cAMP hydrolysis by scintillation proximity assay ChEMBL. 22377514
Ki (binding) > 7100 nM Inhibition of human recombinant PDE9 assessed as inhibition of [3H]cAMP hydrolysis by scintillation proximity assay ChEMBL. 22377514
Ki (binding) > 7100 nM Inhibition of human recombinant PDE11 assessed as inhibition of [3H]cAMP hydrolysis by scintillation proximity assay ChEMBL. 22377514

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.
 
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External resources for this compound

Bibliographic References

1 literature reference was collected for this gene.

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