Detailed information for compound 250589

Basic information

Technical information
  • TDR Targets ID: 250589
  • Name: 8-amino-7-(4-chlorophenyl)sulfonyl-1,3-bis(cy clopropylmethyl)purine-2,6-dione
  • MW: 449.911 | Formula: C19H20ClN5O4S
  • H donors: 1 H acceptors: 5 LogP: 3.12 Rotable bonds: 6
    Rule of 5 violations (Lipinski): 1
  • SMILES: Clc1ccc(cc1)S(=O)(=O)n1c(N)nc2c1c(=O)n(CC1CC1)c(=O)n2CC1CC1
  • InChi: 1S/C19H20ClN5O4S/c20-13-5-7-14(8-6-13)30(28,29)25-15-16(22-18(25)21)23(9-11-1-2-11)19(27)24(17(15)26)10-12-3-4-12/h5-8,11-12H,1-4,9-10H2,(H2,21,22)
  • InChiKey: DPZDIBKHAJZMKJ-UHFFFAOYSA-N  


Substructure search Similarity search

Network

Hover on a compound node to display the structore

Synonyms

  • 8-azanyl-7-(4-chlorophenyl)sulfonyl-1,3-bis(cyclopropylmethyl)purine-2,6-dione
  • 8-amino-7-(4-chlorophenyl)sulfonyl-1,3-bis(cyclopropylmethyl)xanthine

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Homo sapiens phosphodiesterase 4B, cAMP-specific References
Homo sapiens phosphodiesterase 4C, cAMP-specific References
Rattus norvegicus Phosphodiesterase 4 Starlite/ChEMBL References
Rattus norvegicus Adenosine A1 receptor Starlite/ChEMBL References
Homo sapiens phosphodiesterase 4A, cAMP-specific References
Homo sapiens phosphodiesterase 5A, cGMP-specific Starlite/ChEMBL References
Homo sapiens phosphodiesterase 4D, cAMP-specific Starlite/ChEMBL References

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Echinococcus granulosus cAMP specific 3'5' cyclic phosphodiesterase 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
Trichomonas vaginalis calcium/calmodulin-dependent 3,5-cyclic nucleotide 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 rod cGMP-specific 3,5-cyclic 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
Trichomonas vaginalis conserved hypothetical protein Get druggable targets OG5_127318 All targets in OG5_127318
Trichomonas vaginalis cAMP-specific 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
Loa Loa (eye worm) cyclic AMP specific phosphodiesterase PDE4D5A Get druggable targets OG5_128242 All targets in OG5_128242
Trichomonas vaginalis cGMP-specific 3,5-cyclic 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
Trichomonas vaginalis cGMP-dependent 3,5-cyclic 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
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_128242 All targets in OG5_128242
Trypanosoma cruzi cAMP specific phosphodiesterase, putative Get druggable targets OG5_127318 All targets in OG5_127318
Trichomonas vaginalis cAMP and cAMP-inhibited cGMP 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
Trichomonas vaginalis conserved hypothetical protein Get druggable targets OG5_127318 All targets in OG5_127318
Trichomonas vaginalis cAMP-specific 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
Brugia malayi Probable 3',5'-cyclic phosphodiesterase R153.1, putative Get druggable targets OG5_128242 All targets in OG5_128242
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, isoform F, putative Get druggable targets OG5_128242 All targets in OG5_128242
Trichomonas vaginalis cAMP-specific 3,5-cyclic phosphodiesterase, putative Get druggable targets OG5_127318 All targets in OG5_127318
Trypanosoma brucei gambiense cAMP-specific phosphodiesterase, putative Get druggable targets OG5_127318 All targets in OG5_127318
Trypanosoma brucei gambiense 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
Giardia lamblia CAMP-specific 3,5-cyclic phosphodiesterase 4B Get druggable targets OG5_128242 All targets in OG5_128242
Schistosoma japonicum expressed protein Get druggable targets OG5_127318 All targets in OG5_127318
Trypanosoma congolense 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
Schistosoma japonicum IPR002073,3'5'-cyclic nucleotide phosphodiesterase,domain-containing Get druggable targets OG5_128242 All targets in OG5_128242
Trichomonas vaginalis conserved hypothetical protein 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
Echinococcus multilocularis cAMP specific 3',5' 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
Trypanosoma brucei cAMP-specific phosphodiesterase Get druggable targets OG5_127318 All targets in OG5_127318
Cryptosporidium hominis hypothetical protein Get druggable targets OG5_128242 All targets in OG5_128242
Trichomonas vaginalis cAMP-specific 3,5-cyclic phosphodiesterase, putative Get druggable targets OG5_127318 All targets in OG5_127318
Trichomonas vaginalis cyclic nucleotide phosphodiesterase, putative Get druggable targets OG5_127318 All targets in OG5_127318
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
Schistosoma japonicum Dual 3',5'-cyclic-AMP and -GMP phosphodiesterase 11, 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 cAMP/cGMP 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
Echinococcus granulosus cAMP specific 3'5' cyclic phosphodiesterase Get druggable targets OG5_128242 All targets in OG5_128242
Trichomonas vaginalis cGMP-inhibited 3,5-cyclic phosphodiesterase, 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
Cryptosporidium parvum membrane associated HD superfamily cyclic nucleotide phosphodiesterase domain containing protein Get druggable targets OG5_128242 All targets in OG5_128242
Toxoplasma gondii 3'5'-cyclic nucleotide phosphodiesterase domain-containing protein Get druggable targets OG5_128242 All targets in OG5_128242
Trichomonas vaginalis cyclic nucleotide 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
Trypanosoma congolense cAMP-specific 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
Schistosoma mansoni camp-specific 35-cyclic phosphodiesterase Get druggable targets OG5_128242 All targets in OG5_128242
Neospora caninum cAMP-specific phosphodiesterase, putative 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
Trichomonas vaginalis cone 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
Trichomonas vaginalis rod cGMP-specific 3,5-cyclic phosphodiesterase, putative 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 conserved hypothetical protein 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
Leishmania mexicana cAMP specific 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
Trypanosoma cruzi cAMP specific phosphodiesterase, putative Get druggable targets OG5_127318 All targets in OG5_127318
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
Trichomonas vaginalis 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
Echinococcus granulosus cAMP specific 3'5' cyclic phosphodiesterase Get druggable targets OG5_128242 All targets in OG5_128242
Leishmania donovani cAMP specific 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
Trichomonas vaginalis cyclic nucleotide 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
Schistosoma japonicum Dual 3',5'-cyclic-AMP and -GMP phosphodiesterase 11, 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
Echinococcus granulosus neuropeptide receptor Adenosine A1 receptor   326 aa 299 aa 22.4 %
Brugia malayi hypothetical protein Adenosine A1 receptor   326 aa 305 aa 21.0 %
Echinococcus multilocularis thyrotropin releasing hormone receptor Adenosine A1 receptor   326 aa 321 aa 22.7 %
Onchocerca volvulus Ubiquinol-cytochrome-c reductase complex assembly factor 1 homolog Adenosine A1 receptor   326 aa 286 aa 22.7 %
Echinococcus granulosus thyrotropin releasing hormone receptor Adenosine A1 receptor   326 aa 321 aa 23.1 %
Onchocerca volvulus Adenosine A1 receptor   326 aa 306 aa 21.2 %
Schistosoma japonicum Alpha-1A adrenergic receptor, putative Adenosine A1 receptor   326 aa 295 aa 28.1 %
Schistosoma japonicum ko:K04134 cholinergic receptor, invertebrate, putative Adenosine A1 receptor   326 aa 317 aa 24.6 %
Onchocerca volvulus Adenosine A1 receptor   326 aa 304 aa 21.1 %
Toxoplasma gondii 3'5'-cyclic nucleotide phosphodiesterase domain-containing protein Phosphodiesterase 4   536 aa 456 aa 27.2 %
Echinococcus granulosus allatostatin A receptor Adenosine A1 receptor   326 aa 303 aa 24.1 %
Schistosoma mansoni neuropeptide receptor Adenosine A1 receptor   326 aa 274 aa 22.6 %
Loa Loa (eye worm) hypothetical protein Adenosine A1 receptor   326 aa 300 aa 24.3 %
Schistosoma japonicum 5-hydroxytryptamine receptor 4, putative Adenosine A1 receptor   326 aa 286 aa 26.9 %
Schistosoma japonicum ko:K04209 neuropeptide Y receptor, invertebrate, putative Adenosine A1 receptor   326 aa 315 aa 21.6 %
Onchocerca volvulus SH3 domain-binding glutamic acid-rich protein homolog Phosphodiesterase 4   536 aa 527 aa 52.6 %
Loa Loa (eye worm) neuropeptide F receptor Adenosine A1 receptor   326 aa 316 aa 19.9 %
Onchocerca volvulus Adenosine A1 receptor   326 aa 323 aa 20.7 %
Schistosoma mansoni dro/myosuppressin receptor Adenosine A1 receptor   326 aa 326 aa 22.1 %
Schistosoma mansoni neuropeptide receptor Adenosine A1 receptor   326 aa 311 aa 21.2 %
Echinococcus multilocularis allatostatin A receptor Adenosine A1 receptor   326 aa 303 aa 24.1 %
Schistosoma mansoni peptide (allatostatin)-like receptor Adenosine A1 receptor   326 aa 327 aa 24.8 %
Echinococcus multilocularis neuropeptide receptor Adenosine A1 receptor   326 aa 299 aa 22.4 %
Obtained from network model

Ranking Plot

Putative Targets List

Species Potential target Raw Global Species
Trichomonas vaginalis methionyl-tRNA synthetase, putative 0.0107 0.0104 0.1662
Echinococcus granulosus cAMP specific 3'5' cyclic phosphodiesterase 0.0567 0.7116 0.8508
Trypanosoma brucei cAMP-specific phosphodiesterase 0.0142 0.0627 1
Trichomonas vaginalis cAMP-specific phosphodiesterase, putative 0.0142 0.0627 1
Loa Loa (eye worm) hypothetical protein 0.0103 0.0044 0.0052
Trichomonas vaginalis conserved hypothetical protein 0.0107 0.0104 0.1662
Trichomonas vaginalis cAMP and cAMP-inhibited cGMP 3,5-cyclic phosphodiesterase, putative 0.0118 0.027 0.4296
Giardia lamblia Methionyl-tRNA synthetase 0.0107 0.0104 0.0085
Echinococcus multilocularis methionyl tRNA synthetase, cytoplasmic 0.0649 0.8364 1
Entamoeba histolytica methionyl-tRNA synthetase, putative 0.0756 1 1
Trichomonas vaginalis calcium/calmodulin-dependent 3,5-cyclic nucleotide phosphodiesterase, putative 0.0142 0.0627 1
Trypanosoma cruzi cAMP specific phosphodiesterase, putative 0.0142 0.0627 1
Echinococcus granulosus aminoacyl tRNA synthase complex interacting 0.0107 0.0104 0.0125
Trichomonas vaginalis calcium/calmodulin-dependent 3,5-cyclic nucleotide phosphodiesterase, putative 0.0142 0.0627 1
Trichomonas vaginalis high-affinity cGMP-specific 3,5-cyclic phosphodiesterase, putative 0.0142 0.0627 1
Toxoplasma gondii methionyl-tRNA synthetase 0.0211 0.168 0.2313
Trichomonas vaginalis cyclic nucleotide phosphodiesterase, putative 0.0142 0.0627 1
Trichomonas vaginalis cGMP-dependent 3,5-cyclic phosphodiesterase, putative 0.0142 0.0627 1
Echinococcus multilocularis aminoacyl tRNA synthase complex interacting 0.0107 0.0104 0.0125
Schistosoma mansoni camp/cgmp cyclic nucleotide phosphodiesterase 0.0142 0.0627 0.075
Trichomonas vaginalis conserved hypothetical protein 0.0107 0.0104 0.1662
Trichomonas vaginalis conserved hypothetical protein 0.0107 0.0104 0.1662
Trichomonas vaginalis rod cGMP-specific 3,5-cyclic phosphodiesterase, putative 0.0142 0.0627 1
Loa Loa (eye worm) cyclic AMP specific phosphodiesterase PDE4D5A 0.049 0.5942 0.7053
Trichomonas vaginalis cGMP-inhibited 3,5-cyclic phosphodiesterase, putative 0.0142 0.0627 1
Trichomonas vaginalis cGMP-specific 3,5-cyclic phosphodiesterase, putative 0.0142 0.0627 1
Schistosoma mansoni camp-specific 35-cyclic phosphodiesterase 0.0567 0.7116 0.8508
Trypanosoma cruzi tyrosyl or methionyl-tRNA synthetase, putative 0.0107 0.0104 0.1033
Mycobacterium ulcerans phenylalanyl-tRNA synthetase subunit beta 0.0107 0.0104 1
Trichomonas vaginalis high-affinity cGMP-specific 3,5-cyclic phosphodiesterase, putative 0.0142 0.0627 1
Mycobacterium tuberculosis Probable phenylalanyl-tRNA synthetase, beta chain PheT 0.0107 0.0104 1
Trichomonas vaginalis calcium/calmodulin-dependent 3,5-cyclic nucleotide phosphodiesterase, putative 0.0142 0.0627 1
Loa Loa (eye worm) hypothetical protein 0.0103 0.0044 0.0052
Trichomonas vaginalis conserved hypothetical protein 0.0107 0.0104 0.1662
Trichomonas vaginalis high-affinity cGMP-specific 3,5-cyclic phosphodiesterase, putative 0.0142 0.0627 1
Trypanosoma cruzi tyrosyl or methionyl-tRNA synthetase, putative 0.0107 0.0104 0.1033
Schistosoma mansoni leucyl-tRNA synthetase 0.0103 0.0044 0.0053
Giardia lamblia CAMP-specific 3,5-cyclic phosphodiesterase 4B 0.0567 0.7116 1
Plasmodium vivax methionine-tRNA ligase, putative 0.0107 0.0104 1
Trichomonas vaginalis cGMP-dependent 3,5-cyclic phosphodiesterase, putative 0.0142 0.0627 1
Trichomonas vaginalis cAMP-specific phosphodiesterase, putative 0.0118 0.027 0.4296
Leishmania major tyrosyl or methionyl-tRNA synthetase-like protein 0.0107 0.0104 0.1033
Plasmodium falciparum tRNA import protein tRIP 0.0107 0.0104 1
Trichomonas vaginalis cyclic nucleotide phosphodiesterase, putative 0.0142 0.0627 1
Mycobacterium leprae Probable methionyl-tRNA synthase MetS 0.0103 0.0044 0.5
Loa Loa (eye worm) methionyl-tRNA synthetase 0.0103 0.0044 0.0052
Echinococcus granulosus cAMP specific 3'5' cyclic phosphodiesterase 0.0567 0.7116 0.8508
Trichomonas vaginalis rod cGMP-specific 3,5-cyclic phosphodiesterase, putative 0.0142 0.0627 1
Trypanosoma cruzi cAMP specific phosphodiesterase, putative 0.0142 0.0627 1
Echinococcus multilocularis cAMP specific 3',5' cyclic phosphodiesterase 0.0567 0.7116 0.8508
Loa Loa (eye worm) hypothetical protein 0.0567 0.7116 0.8447
Trichomonas vaginalis calcium/calmodulin-dependent 3,5-cyclic nucleotide phosphodiesterase, putative 0.0142 0.0627 1
Toxoplasma gondii 3'5'-cyclic nucleotide phosphodiesterase domain-containing protein 0.0567 0.7116 1
Schistosoma mansoni methionine-tRNA synthetase 0.0649 0.8364 1
Echinococcus multilocularis tyrosyl tRNA synthetase 0.0107 0.0104 0.0125
Echinococcus granulosus dual 3'5' cyclic AMP and GMP phosphodiesterase 0.0142 0.0627 0.075
Loa Loa (eye worm) hypothetical protein 0.0649 0.8364 0.9928
Treponema pallidum methionyl-tRNA synthetase 0.0756 1 1
Leishmania major hypothetical protein 0.0107 0.0104 0.1033
Trichomonas vaginalis cAMP-specific 3,5-cyclic phosphodiesterase, putative 0.0142 0.0627 1
Trypanosoma cruzi hypothetical protein, conserved 0.0107 0.0104 0.1033
Chlamydia trachomatis phenylalanine--tRNA ligase subunit beta 0.0107 0.0104 0.0072
Trypanosoma cruzi cAMP specific phosphodiesterase, putative 0.0118 0.027 0.3865
Trypanosoma brucei tyrosyl-tRNA synthetase, putative 0.0107 0.0104 0.1033
Trichomonas vaginalis high-affinity cGMP-specific 3,5-cyclic phosphodiesterase, putative 0.0142 0.0627 1
Loa Loa (eye worm) multisynthetase complex auxiliary component p43 0.0653 0.8424 1
Trichomonas vaginalis conserved hypothetical protein 0.0142 0.0627 1
Trichomonas vaginalis cone cGMP-specific 3,5-cyclic phosphodiesterase, putative 0.0142 0.0627 1
Schistosoma mansoni methionyl-tRNA synthetase 0.0107 0.0104 0.0125
Trypanosoma cruzi hypothetical protein, conserved 0.0107 0.0104 0.1033
Trichomonas vaginalis calcium/calmodulin-dependent 3,5-cyclic nucleotide phosphodiesterase, putative 0.0142 0.0627 1
Echinococcus granulosus methionyl tRNA synthetase cytoplasmic 0.0649 0.8364 1
Trichomonas vaginalis cGMP-specific 3,5-cyclic phosphodiesterase, putative 0.0142 0.0627 1
Echinococcus granulosus methionine tRNA synthetase 0.0103 0.0044 0.0053
Echinococcus multilocularis leucyl tRNA synthetase 0.0103 0.0044 0.0053
Trichomonas vaginalis cAMP-specific phosphodiesterase, putative 0.0142 0.0627 1
Wolbachia endosymbiont of Brugia malayi phenylalanyl-tRNA synthetase subunit beta 0.0107 0.0104 1
Echinococcus multilocularis cAMP specific 3',5' cyclic phosphodiesterase 0.0567 0.7116 0.8508
Trichomonas vaginalis cyclic nucleotide phosphodiesterase, putative 0.0142 0.0627 1
Trichomonas vaginalis methionine-tRNA synthetase, putative 0.0103 0.0044 0.0701
Echinococcus granulosus tyrosyl tRNA synthetase 0.0107 0.0104 0.0125
Echinococcus granulosus cAMP specific 3'5' cyclic phosphodiesterase 0.049 0.5942 0.7104
Trichomonas vaginalis cGMP-specific 3,5-cyclic phosphodiesterase, putative 0.0142 0.0627 1
Echinococcus multilocularis methionine tRNA synthetase 0.0103 0.0044 0.0053
Trypanosoma brucei tyrosyl/methionyl-tRNA synthetase, putative 0.0107 0.0104 0.1033
Echinococcus multilocularis cAMP specific 3',5' cyclic phosphodiesterase 0.049 0.5942 0.7104
Trichomonas vaginalis cone cGMP-specific 3,5-cyclic phosphodiesterase, putative 0.0142 0.0627 1
Schistosoma mansoni tyrosyl-tRNA synthetase 0.0107 0.0104 0.0125
Trichomonas vaginalis cAMP/cGMP cyclic nucleotide phosphodiesterase, putative 0.0142 0.0627 1
Toxoplasma gondii tRNA binding domain-containing protein 0.0107 0.0104 0.0085
Leishmania major hypothetical protein, conserved 0.0107 0.0104 0.1033
Trypanosoma brucei cAMP-specific phosphodiesterase 0.0142 0.0627 1
Echinococcus multilocularis dual 3',5' cyclic AMP and GMP phosphodiesterase 0.0142 0.0627 0.075
Trichomonas vaginalis rod cGMP-specific 3,5-cyclic phosphodiesterase, putative 0.0142 0.0627 1
Brugia malayi methionyl-tRNA synthetase 0.0103 0.0044 0.0044
Chlamydia trachomatis methionine--tRNA ligase 0.0649 0.8364 1
Brugia malayi Probable 3',5'-cyclic phosphodiesterase R153.1, putative 0.049 0.5942 0.5942
Trichomonas vaginalis cAMP-specific 3,5-cyclic phosphodiesterase, putative 0.0142 0.0627 1
Brugia malayi protein ZK524.3 0.0103 0.0044 0.0044
Trypanosoma cruzi cAMP specific phosphodiesterase, putative 0.0142 0.0627 1
Schistosoma mansoni methionine-tRNA synthetase 0.0103 0.0044 0.0053

Activities

Activity type Activity value Assay description Source Reference
IC50 (binding) = 0.054 uM Inhibitory concentration on phosphodiesterase IV (PDE IV) for ability to displace [3H]-rolipram from its high affinity binding site. ChEMBL. 8120866
IC50 (binding) = 0.054 uM Inhibitory concentration on phosphodiesterase IV (PDE IV) for ability to displace [3H]-rolipram from its high affinity binding site. ChEMBL. 8120866
IC50 (binding) = 0.9 uM Concentration required to inhibit 50% activity of phosphodiesterase VA isoenzyme at 100 microM. ChEMBL. 8120866
IC50 (binding) = 0.9 uM Concentration required to inhibit 50% activity of phosphodiesterase VA isoenzyme at 100 microM. ChEMBL. 8120866
IC50 (binding) = 3.7 uM Concentration required to inhibit 50% activity of phosphodiesterase IV isoenzyme (at 100 uM). ChEMBL. 8120866
IC50 (binding) = 3.7 uM Concentration required to inhibit 50% activity of phosphodiesterase IV isoenzyme (at 100 uM). ChEMBL. 8120866
IC50 (binding) = 4.1 uM Inhibition of adenosine binding to A1 receptorof rat brain homogenates ChEMBL. 8120866
IC50 (binding) = 4.1 uM Inhibition of adenosine binding to A1 receptorof rat brain homogenates ChEMBL. 8120866
Inhibition (binding) = 1 % Concentration required to inhibit 50% activity of phosphodiesterase IB isoenzyme at 100 uM. ChEMBL. 8120866
Inhibition (binding) = 1 % Concentration required to inhibit 50% activity of phosphodiesterase IB isoenzyme at 100 uM. ChEMBL. 8120866
Inhibition (binding) = 12 % Concentration required to inhibit 50% activity of phosphodiesterase II isoenzyme at 100 microM. ChEMBL. 8120866
Inhibition (binding) = 12 % Concentration required to inhibit 50% activity of phosphodiesterase II isoenzyme at 100 microM. ChEMBL. 8120866
Inhibition (binding) = 21 % Concentration required to inhibit 50% activity of phosphodiesterase III isoenzyme at 100 microM. ChEMBL. 8120866
Inhibition (binding) = 21 % Concentration required to inhibit 50% activity of phosphodiesterase III isoenzyme at 100 microM. ChEMBL. 8120866
Inhibition (binding) = 71 % Inhibition of phosphodiesterase Ic isoenzyme ChEMBL. 8120866
Inhibition (binding) = 71 % Inhibition of phosphodiesterase Ic isoenzyme ChEMBL. 8120866

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

1 literature reference was collected for this gene.

If you have references for this compound, please enter them in a user comment (below) or Contact us.