Detailed information for compound 1874846

Basic information

Technical information
  • TDR Targets ID: 1874846
  • Name: N-[(9E,21E,33E)-15,27-diacetamido-7,19,31-tri hydroxy-10,22,34-trimethyl-2,8,14,20,26,32-he xaoxo-1,13,25-trioxa-7,19,31-triazacyclohexat riaconta-9,21,33-trien-3-yl]acetamide
  • MW: 852.925 | Formula: C39H60N6O15
  • H donors: 6 H acceptors: 12 LogP: -0.9 Rotable bonds: 6
    Rule of 5 violations (Lipinski): 4
  • SMILES: CC(=O)NC1CCCN(O)C(=O)/C=C(\C)/CCOC(=O)C(CCCN(O)C(=O)/C=C(/CCOC(=O)C(CCCN(C(=O)/C=C(/CCOC1=O)\C)O)NC(=O)C)\C)NC(=O)C
  • InChi: 1S/C39H60N6O15/c1-25-13-19-58-37(52)31(40-28(4)46)11-8-17-44(56)35(50)23-27(3)15-21-60-39(54)33(42-30(6)48)12-9-18-45(57)36(51)24-26(2)14-20-59-38(53)32(41-29(5)47)10-7-16-43(55)34(49)22-25/h22-24,31-33,55-57H,7-21H2,1-6H3,(H,40,46)(H,41,47)(H,42,48)/b25-22+,26-24+,27-23+
  • InChiKey: VGXYDZCCQDSGLZ-YMYYPMOMSA-N  


Substructure search Similarity search

Network

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Synonyms

  • N-[(9E,21E,33E)-15,27-diacetamido-7,19,31-trihydroxy-2,8,14,20,26,32-hexaketo-10,22,34-trimethyl-1,13,25-trioxa-7,19,31-triazacyclohexatriaconta-9,21,33-trien-3-yl]acetamide
  • N-[(9E,21E,33E)-15,27-diacetamido-7,19,31-trihydroxy-10,22,34-trimethyl-2,8,14,20,26,32-hexaoxo-1,13,25-trioxa-7,19,31-triazacyclohexatriaconta-9,21,33-trien-3-yl]ethanamide
  • ACon0_000380
  • ACon1_002160

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Homo sapiens lysine (K)-specific demethylase 4E Starlite/ChEMBL No references
Homo sapiens geminin, DNA replication inhibitor Starlite/ChEMBL No references
Candida albicans hypothetical protein Starlite/ChEMBL No references
Giardia intestinalis Putative fructose-1,6-bisphosphate aldolase Starlite/ChEMBL No references

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Schistosoma japonicum ko:K09487 heat shock protein 90kDa beta, putative Get druggable targets OG5_126623 All targets in OG5_126623
Leishmania major heat shock protein 83-1 Get druggable targets OG5_126623 All targets in OG5_126623
Leishmania mexicana lipophosphoglycan biosynthetic protein, putative,heat shock protein 90, putative,glucose regulated protein 94, putative Get druggable targets OG5_126623 All targets in OG5_126623
Schistosoma japonicum ko:K04079 molecular chaperone HtpG, putative Get druggable targets OG5_126623 All targets in OG5_126623
Trichomonas vaginalis fructose-bisphosphate aldolase, putative Get druggable targets OG5_129214 All targets in OG5_129214
Trypanosoma brucei heat shock protein 90, putative Get druggable targets OG5_126623 All targets in OG5_126623
Trypanosoma congolense heat shock protein 90, putative Get druggable targets OG5_126623 All targets in OG5_126623
Theileria parva heat shock protein 90 Get druggable targets OG5_126623 All targets in OG5_126623
Trypanosoma congolense Heat shock protein 83, putative Get druggable targets OG5_126623 All targets in OG5_126623
Leishmania donovani heat shock protein 90, putative Get druggable targets OG5_126623 All targets in OG5_126623
Trichomonas vaginalis fructose-bisphosphate aldolase, putative Get druggable targets OG5_129214 All targets in OG5_129214
Echinococcus granulosus heat shock protein Get druggable targets OG5_126623 All targets in OG5_126623
Trypanosoma cruzi heat shock protein 85, putative Get druggable targets OG5_126623 All targets in OG5_126623
Trichomonas vaginalis fructose-bisphosphate aldolase, putative Get druggable targets OG5_129214 All targets in OG5_129214
Trypanosoma brucei heat shock protein 90, putative Get druggable targets OG5_126623 All targets in OG5_126623
Schistosoma mansoni heat shock protein Get druggable targets OG5_126623 All targets in OG5_126623
Mycobacterium tuberculosis Probable chaperone protein HtpG (heat shock protein) (HSP90 family protein) (high temperature protein G) Get druggable targets OG5_126623 All targets in OG5_126623
Leishmania infantum lipophosphoglycan biosynthetic protein, putative,heat shock protein 90, putative,glucose regulated protein 94, putative Get druggable targets OG5_126623 All targets in OG5_126623
Trypanosoma cruzi heat shock protein 85, putative Get druggable targets OG5_126623 All targets in OG5_126623
Leishmania infantum heat shock protein 83-1 Get druggable targets OG5_126623 All targets in OG5_126623
Plasmodium vivax endoplasmin, putative Get druggable targets OG5_126623 All targets in OG5_126623
Schistosoma japonicum Heat shock protein 83, putative Get druggable targets OG5_126623 All targets in OG5_126623
Trypanosoma brucei gambiense heat shock protein 83,heat shock protein Get druggable targets OG5_126623 All targets in OG5_126623
Trichomonas vaginalis heat shock protein, putative Get druggable targets OG5_126623 All targets in OG5_126623
Wolbachia endosymbiont of Brugia malayi heat shock protein 90 Get druggable targets OG5_126623 All targets in OG5_126623
Trichomonas vaginalis fructose-bisphosphate aldolase, putative Get druggable targets OG5_129214 All targets in OG5_129214
Echinococcus multilocularis heat shock protein 90 Get druggable targets OG5_126623 All targets in OG5_126623
Leishmania braziliensis heat shock protein 83-1 Get druggable targets OG5_126623 All targets in OG5_126623
Plasmodium knowlesi endoplasmin, putative Get druggable targets OG5_126623 All targets in OG5_126623
Echinococcus granulosus heat shock protein heat shock protein 90 alpha Get druggable targets OG5_126623 All targets in OG5_126623
Trypanosoma cruzi heat shock protein 90, putative Get druggable targets OG5_126623 All targets in OG5_126623
Loa Loa (eye worm) heat shock protein 90 Get druggable targets OG5_126623 All targets in OG5_126623
Leishmania major heat shock protein 83-1 Get druggable targets OG5_126623 All targets in OG5_126623
Trichomonas vaginalis heat shock protein, putative Get druggable targets OG5_126623 All targets in OG5_126623
Mycobacterium ulcerans heat shock protein 90 Get druggable targets OG5_126623 All targets in OG5_126623
Plasmodium berghei heat shock protein 90, putative Get druggable targets OG5_126623 All targets in OG5_126623
Toxoplasma gondii heat shock protein HSP90 Get druggable targets OG5_126623 All targets in OG5_126623
Candida albicans hypothetical protein Get druggable targets OG5_126623 All targets in OG5_126623
Trypanosoma brucei gambiense Heat shock protein 83, putative Get druggable targets OG5_126623 All targets in OG5_126623
Trypanosoma cruzi heat shock protein 90, putative Get druggable targets OG5_126623 All targets in OG5_126623
Trypanosoma brucei heat shock protein, putative Get druggable targets OG5_126623 All targets in OG5_126623
Babesia bovis hsp90 protein Get druggable targets OG5_126623 All targets in OG5_126623
Leishmania major heat shock protein 83-1 Get druggable targets OG5_126623 All targets in OG5_126623
Loa Loa (eye worm) endoplasmin Get druggable targets OG5_126623 All targets in OG5_126623
Entamoeba histolytica heat shock protein 90, putative Get druggable targets OG5_126623 All targets in OG5_126623
Leishmania major heat shock protein 83-1 Get druggable targets OG5_126623 All targets in OG5_126623
Leishmania braziliensis heat shock protein 83-1 Get druggable targets OG5_126623 All targets in OG5_126623
Giardia lamblia Heat shock protein HSP 90-alpha Get druggable targets OG5_126623 All targets in OG5_126623
Schistosoma japonicum Heat shock protein HSP 90-alpha, putative Get druggable targets OG5_126623 All targets in OG5_126623
Leishmania major heat shock protein 83-1 Get druggable targets OG5_126623 All targets in OG5_126623
Plasmodium knowlesi heat shock protein 90, putative Get druggable targets OG5_126623 All targets in OG5_126623
Leishmania major heat shock protein 83-1 Get druggable targets OG5_126623 All targets in OG5_126623
Toxoplasma gondii heat shock protein 90, putative Get druggable targets OG5_126623 All targets in OG5_126623
Plasmodium falciparum heat shock protein 90 Get druggable targets OG5_126623 All targets in OG5_126623
Trypanosoma brucei gambiense Heat shock protein 83, putative Get druggable targets OG5_126623 All targets in OG5_126623
Leishmania major heat shock protein 83-1 Get druggable targets OG5_126623 All targets in OG5_126623
Entamoeba histolytica heat shock protein 90, putative Get druggable targets OG5_126623 All targets in OG5_126623
Trypanosoma cruzi heat shock protein 85, putative Get druggable targets OG5_126623 All targets in OG5_126623
Leishmania major heat shock protein 83-1 Get druggable targets OG5_126623 All targets in OG5_126623
Giardia lamblia Grp94/Hsp90 Get druggable targets OG5_126623 All targets in OG5_126623
Echinococcus granulosus heat shock protein 90 Get druggable targets OG5_126623 All targets in OG5_126623
Plasmodium vivax heat shock protein 86, putative Get druggable targets OG5_126623 All targets in OG5_126623
Trypanosoma brucei heat shock protein, putative Get druggable targets OG5_126623 All targets in OG5_126623
Leishmania braziliensis heat shock protein 83-1 Get druggable targets OG5_126623 All targets in OG5_126623
Echinococcus granulosus heat shock protein 90 Get druggable targets OG5_126623 All targets in OG5_126623
Trichomonas vaginalis heat shock protein, putative Get druggable targets OG5_126623 All targets in OG5_126623
Entamoeba histolytica fructose-1,6-bisphosphate aldolase, putative Get druggable targets OG5_129214 All targets in OG5_129214
Schistosoma mansoni endoplasmin Get druggable targets OG5_126623 All targets in OG5_126623
Trypanosoma brucei heat shock protein, putative Get druggable targets OG5_126623 All targets in OG5_126623
Leishmania major heat shock protein 83-1 Get druggable targets OG5_126623 All targets in OG5_126623
Trichomonas vaginalis fructose-bisphosphate aldolase, putative Get druggable targets OG5_129214 All targets in OG5_129214
Schistosoma japonicum IPR003367,Thrombospondin type 3 repeat;IPR002048,Calcium-binding EF-hand,domain-containing Get druggable targets OG5_126623 All targets in OG5_126623
Entamoeba histolytica fructose-1,6-bisphosphate aldolase, putative Get druggable targets OG5_129214 All targets in OG5_129214
Leishmania major heat shock protein 83-1 Get druggable targets OG5_126623 All targets in OG5_126623
Schistosoma mansoni endoplasmin Get druggable targets OG5_126623 All targets in OG5_126623
Trypanosoma brucei heat shock protein, putative Get druggable targets OG5_126623 All targets in OG5_126623
Leishmania infantum heat shock protein 83-1 Get druggable targets OG5_126623 All targets in OG5_126623
Schistosoma mansoni heat shock protein Get druggable targets OG5_126623 All targets in OG5_126623
Leishmania mexicana heat shock protein 83-1 Get druggable targets OG5_126623 All targets in OG5_126623
Trypanosoma cruzi heat shock protein 85, putative Get druggable targets OG5_126623 All targets in OG5_126623
Plasmodium yoelii heat shock protein 90 Get druggable targets OG5_126623 All targets in OG5_126623
Leishmania major heat shock protein 83-1 Get druggable targets OG5_126623 All targets in OG5_126623
Trypanosoma cruzi heat shock protein 90, putative Get druggable targets OG5_126623 All targets in OG5_126623
Giardia lamblia Heat shock protein HSP 90-alpha Get druggable targets OG5_126623 All targets in OG5_126623
Trypanosoma brucei heat shock protein, putative Get druggable targets OG5_126623 All targets in OG5_126623
Cryptosporidium hominis heat shock protein 83 Get druggable targets OG5_126623 All targets in OG5_126623
Echinococcus multilocularis heat shock protein 90 Get druggable targets OG5_126623 All targets in OG5_126623
Leishmania major heat shock protein 83-1 Get druggable targets OG5_126623 All targets in OG5_126623
Trichomonas vaginalis fructose-bisphosphate aldolase, putative Get druggable targets OG5_129214 All targets in OG5_129214
Leishmania major heat shock protein 83-1 Get druggable targets OG5_126623 All targets in OG5_126623
Trichomonas vaginalis fructose-bisphosphate aldolase, putative Get druggable targets OG5_129214 All targets in OG5_129214
Trypanosoma brucei gambiense lipophosphoglycan biosynthetic protein, putative,heat shock protein 90, putative,glucose regulated protein 94, putative Get druggable targets OG5_126623 All targets in OG5_126623
Leishmania major heat shock protein 83-1 Get druggable targets OG5_126623 All targets in OG5_126623
Echinococcus granulosus endoplasmin Get druggable targets OG5_126623 All targets in OG5_126623
Echinococcus multilocularis endoplasmin Get druggable targets OG5_126623 All targets in OG5_126623
Trypanosoma brucei heat shock protein, putative Get druggable targets OG5_126623 All targets in OG5_126623
Trypanosoma cruzi Heat shock protein 83, putative Get druggable targets OG5_126623 All targets in OG5_126623
Leishmania braziliensis lipophosphoglycan biosynthetic protein, putative,heat shock protein 90, putative,glucose regulated protein 94, putative Get druggable targets OG5_126623 All targets in OG5_126623
Echinococcus multilocularis heat shock protein Get druggable targets OG5_126623 All targets in OG5_126623
Trypanosoma brucei Heat shock protein 83, putative Get druggable targets OG5_126623 All targets in OG5_126623
Neospora caninum HSP90, related Get druggable targets OG5_126623 All targets in OG5_126623
Candida albicans heat shock protein Get druggable targets OG5_126623 All targets in OG5_126623
Cryptosporidium parvum Hsp90 Get druggable targets OG5_126623 All targets in OG5_126623
Leishmania mexicana heat shock protein 83-1 Get druggable targets OG5_126623 All targets in OG5_126623
Brugia malayi Endoplasmin precursor Get druggable targets OG5_126623 All targets in OG5_126623
Plasmodium yoelii putative heat shock protein 81-2 Get druggable targets OG5_126623 All targets in OG5_126623
Trypanosoma congolense heat shock protein 90, putative Get druggable targets OG5_126623 All targets in OG5_126623
Leishmania donovani heat shock protein 83-1 Get druggable targets OG5_126623 All targets in OG5_126623
Treponema pallidum heat shock protein 90 Get druggable targets OG5_126623 All targets in OG5_126623
Plasmodium yoelii heat shock 90 kDa protein homolog Get druggable targets OG5_126623 All targets in OG5_126623
Mycobacterium leprae PROBABLE CHAPERONE PROTEIN HTPG (HEAT SHOCK PROTEIN) (HSP90 FAMILY PROTEIN) (HIGH TEMPERATURE PROTEIN G) Get druggable targets OG5_126623 All targets in OG5_126623
Leishmania major heat shock protein 83-1 Get druggable targets OG5_126623 All targets in OG5_126623
Schistosoma japonicum Heat shock protein HSP 90-beta, putative Get druggable targets OG5_126623 All targets in OG5_126623
Trypanosoma brucei heat shock protein, putative Get druggable targets OG5_126623 All targets in OG5_126623
Brugia malayi heat shock protein 90 Get druggable targets OG5_126623 All targets in OG5_126623
Leishmania infantum heat shock protein 83-1 Get druggable targets OG5_126623 All targets in OG5_126623
Trichomonas vaginalis heat shock protein, putative Get druggable targets OG5_126623 All targets in OG5_126623
Giardia lamblia Fructose-bisphosphate aldolase Get druggable targets OG5_129214 All targets in OG5_129214
Treponema pallidum fructose-bisphosphate aldolase Get druggable targets OG5_129214 All targets in OG5_129214
Leishmania major heat shock protein 83-1 Get druggable targets OG5_126623 All targets in OG5_126623
Leishmania major heat shock protein 83-1 Get druggable targets OG5_126623 All targets in OG5_126623
Candida albicans heat shock protein Get druggable targets OG5_126623 All targets in OG5_126623
Trichomonas vaginalis fructose-bisphosphate aldolase, putative Get druggable targets OG5_129214 All targets in OG5_129214
Trypanosoma brucei heat shock protein, putative Get druggable targets OG5_126623 All targets in OG5_126623
Neospora caninum HSP90-like protein, related Get druggable targets OG5_126623 All targets in OG5_126623
Leishmania major lipophosphoglycan biosynthetic protein, putative,heat shock protein 90, putative,glucose regulated protein 94, putative Get druggable targets OG5_126623 All targets in OG5_126623
By sequence similarity to non orthologous known druggable targets
Species Potential target Known druggable target Length Alignment span Identity
Candida albicans fructose-bisphosphate aldolase Putative fructose-1,6-bisphosphate aldolase   323 aa 358 aa 22.6 %
Mycobacterium leprae Probable fructose bisphosphate aldolase Fba Putative fructose-1,6-bisphosphate aldolase   323 aa 361 aa 25.8 %
Brugia malayi Hypothetical 65.5 kDa Trp-Asp repeats containing protein F02E8.5 inchromosome X geminin, DNA replication inhibitor 209 aa 176 aa 27.8 %
Candida albicans fructose-bisphosphate aldolase Putative fructose-1,6-bisphosphate aldolase   323 aa 358 aa 22.6 %
Mycobacterium ulcerans fructose-bisphosphate aldolase Putative fructose-1,6-bisphosphate aldolase   323 aa 361 aa 26.9 %
Mycobacterium tuberculosis Probable fructose-bisphosphate aldolase Fba Putative fructose-1,6-bisphosphate aldolase   323 aa 361 aa 25.5 %
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 0.0128 0.0555 1
Trichomonas vaginalis high-affinity cGMP-specific 3,5-cyclic phosphodiesterase, putative 0.0128 0.0555 0.2919
Leishmania major heat shock protein 83-1 0.0039 0.0027 0.0481
Trichomonas vaginalis high-affinity cGMP-specific 3,5-cyclic phosphodiesterase, putative 0.0128 0.0555 0.2919
Plasmodium falciparum cGMP-specific phosphodiesterase 0.0128 0.0555 1
Trypanosoma cruzi hypothetical protein, conserved 0.0128 0.0555 1
Trichomonas vaginalis cGMP-dependent 3,5-cyclic phosphodiesterase, putative 0.0128 0.0555 0.2919
Toxoplasma gondii 3'5'-cyclic nucleotide phosphodiesterase domain-containing protein 0.0128 0.0555 1
Toxoplasma gondii 3'5'-cyclic nucleotide phosphodiesterase domain-containing protein 0.0128 0.0555 1
Trypanosoma brucei heat shock protein, putative 0.0039 0.0027 0.0481
Schistosoma mansoni camp-specific 35-cyclic phosphodiesterase 0.0128 0.0555 0.0555
Echinococcus multilocularis heat shock protein 90 0.0039 0.0027 0.0071
Toxoplasma gondii 3'5'-cyclic nucleotide phosphodiesterase domain-containing protein 0.0128 0.0555 1
Schistosoma mansoni heat shock protein 0.0039 0.0027 0.0027
Entamoeba histolytica fructose-1,6-bisphosphate aldolase, putative 0.0353 0.19 1
Trypanosoma cruzi cAMP specific phosphodiesterase, putative 0.0128 0.0555 1
Leishmania major heat shock protein 83-1 0.0039 0.0027 0.0481
Trypanosoma brucei heat shock protein, putative 0.0039 0.0027 0.0481
Loa Loa (eye worm) hypothetical protein 0.0128 0.0555 0.0555
Schistosoma mansoni microtubule-associated protein tau 0.0667 0.3773 0.3773
Schistosoma mansoni camp-specific 35-cyclic phosphodiesterase 0.0128 0.0555 0.0555
Trichomonas vaginalis cAMP and cAMP-inhibited cGMP 3,5-cyclic phosphodiesterase, putative 0.0128 0.0555 0.2919
Trichomonas vaginalis cAMP-specific 3,5-cyclic phosphodiesterase, putative 0.0128 0.0555 0.2919
Leishmania major heat shock protein 83-1 0.0039 0.0027 0.0481
Leishmania major heat shock protein 83-1 0.0039 0.0027 0.0481
Toxoplasma gondii 3'5'-cyclic nucleotide phosphodiesterase domain-containing protein 0.0128 0.0555 1
Echinococcus granulosus calcium:calmodulin dependent 3'5' cyclic 0.0128 0.0555 0.147
Trichomonas vaginalis calcium/calmodulin-dependent 3,5-cyclic nucleotide phosphodiesterase, putative 0.0128 0.0555 0.2919
Trypanosoma brucei heat shock protein 90, putative 0.0039 0.0027 0.0481
Plasmodium vivax heat shock protein 86, putative 0.0039 0.0027 0.0481
Toxoplasma gondii 3'5'-cyclic nucleotide phosphodiesterase domain-containing protein 0.0128 0.0555 1
Trypanosoma cruzi cAMP specific phosphodiesterase, putative 0.0128 0.0555 1
Echinococcus granulosus lysine specific demethylase 5A 0.0071 0.0216 0.0574
Trichomonas vaginalis cAMP-specific phosphodiesterase, putative 0.0128 0.0555 0.2919
Toxoplasma gondii 3'5'-cyclic nucleotide phosphodiesterase domain-containing protein 0.0128 0.0555 1
Trichomonas vaginalis cAMP-specific phosphodiesterase, putative 0.0128 0.0555 0.2919
Leishmania major heat shock protein 83-1 0.0039 0.0027 0.0481
Loa Loa (eye worm) hypothetical protein 0.0128 0.0555 0.0555
Mycobacterium leprae Probable fructose bisphosphate aldolase Fba 0.0172 0.0822 1
Echinococcus granulosus Transcription factor JmjC domain containing protein 0.0071 0.0216 0.0574
Trypanosoma cruzi heat shock protein 85, putative 0.0039 0.0027 0.0481
Trichomonas vaginalis cone cGMP-specific 3,5-cyclic phosphodiesterase, putative 0.0128 0.0555 0.2919
Trypanosoma cruzi cAMP phosphodiesterase A, putative 0.0128 0.0555 1
Plasmodium falciparum phosphodiesterase gamma, putative 0.0128 0.0555 1
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.0353 0.19 1
Brugia malayi Probable 3',5'-cyclic phosphodiesterase R153.1, putative 0.0128 0.0555 0.0555
Brugia malayi jmjC domain containing protein 0.0071 0.0216 0.0216
Echinococcus granulosus high affinity cgmp specific 3' 5' cyclic 0.0128 0.0555 0.147
Trichomonas vaginalis rod cGMP-specific 3,5-cyclic phosphodiesterase, putative 0.0128 0.0555 0.2919
Brugia malayi heat shock protein 90 0.0039 0.0027 0.0027
Trichomonas vaginalis rod cGMP-specific 3,5-cyclic phosphodiesterase, putative 0.0128 0.0555 0.2919
Leishmania major heat shock protein 83-1 0.0039 0.0027 0.0481
Toxoplasma gondii 3'5'-cyclic nucleotide phosphodiesterase domain-containing protein 0.0128 0.0555 1
Trypanosoma cruzi cyclic nucleotide phosphodiesterase 0.0128 0.0555 1
Trichomonas vaginalis calcium/calmodulin-dependent 3,5-cyclic nucleotide phosphodiesterase, putative 0.0128 0.0555 0.2919
Plasmodium vivax 3',5'-cyclic nucleotide phosphodiesterase, putative 0.0128 0.0555 1
Echinococcus multilocularis high affinity cgmp specific 3' 5' cyclic 0.0128 0.0555 0.147
Trypanosoma brucei heat shock protein 90, putative 0.0039 0.0027 0.0481
Trypanosoma cruzi cAMP phosphodiesterase A, putative 0.0128 0.0555 1
Plasmodium vivax phosphodiesterase gamma, putative 0.0128 0.0555 1
Trypanosoma brucei heat shock protein, putative 0.0039 0.0027 0.0481
Trypanosoma cruzi heat shock protein 85, putative 0.0039 0.0027 0.0481
Loa Loa (eye worm) endoplasmin 0.0039 0.0027 0.0027
Leishmania major heat shock protein 83-1 0.0039 0.0027 0.0481
Brugia malayi Endoplasmin precursor 0.0039 0.0027 0.0027
Plasmodium vivax cyclic nucleotide phosphodiesterase, putative 0.0128 0.0555 1
Trichomonas vaginalis cAMP/cGMP cyclic nucleotide phosphodiesterase, putative 0.0128 0.0555 0.2919
Trichomonas vaginalis cAMP-specific 3,5-cyclic phosphodiesterase, putative 0.0128 0.0555 0.2919
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.0353 0.19 1
Trypanosoma cruzi cAMP-specific phosphodiesterase, putative 0.0128 0.0555 1
Schistosoma mansoni hypothetical protein 0.0205 0.1014 0.1014
Trypanosoma cruzi hypothetical protein, conserved 0.0128 0.0555 1
Trypanosoma brucei hypothetical protein, conserved 0.0128 0.0555 1
Trichomonas vaginalis calcium/calmodulin-dependent 3,5-cyclic nucleotide phosphodiesterase, putative 0.0128 0.0555 0.2919
Trypanosoma cruzi hypothetical protein, conserved 0.0128 0.0555 1
Trypanosoma brucei heat shock protein, putative 0.0039 0.0027 0.0481
Trichomonas vaginalis cGMP-specific 3,5-cyclic phosphodiesterase, putative 0.0128 0.0555 0.2919
Loa Loa (eye worm) jmjC domain-containing protein 0.0071 0.0216 0.0216
Leishmania major heat shock protein 83-1 0.0039 0.0027 0.0481
Trichomonas vaginalis conserved hypothetical protein 0.0128 0.0555 0.2919
Trichomonas vaginalis cGMP-dependent 3,5-cyclic phosphodiesterase, putative 0.0128 0.0555 0.2919
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.0353 0.19 1
Trichomonas vaginalis conserved hypothetical protein 0.0128 0.0555 0.2919
Trypanosoma cruzi cAMP specific phosphodiesterase, putative 0.0128 0.0555 1
Trichomonas vaginalis cone cGMP-specific 3,5-cyclic phosphodiesterase, putative 0.0128 0.0555 0.2919
Schistosoma mansoni jumonji/arid domain-containing protein 0.0071 0.0216 0.0216
Schistosoma mansoni high-affinity cgmp-specific 35-cyclic phosphodiesterase 0.0128 0.0555 0.0555
Trypanosoma cruzi hypothetical protein, conserved 0.0128 0.0555 1
Trypanosoma cruzi Heat shock protein 83, putative 0.0039 0.0027 0.0481
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.0353 0.19 1
Plasmodium falciparum 3',5'-cyclic nucleotide phosphodiesterase, putative 0.0128 0.0555 1
Loa Loa (eye worm) heat shock protein 90 0.0039 0.0027 0.0027
Echinococcus multilocularis calcium:calmodulin dependent 3',5' cyclic 0.0128 0.0555 0.147
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.0353 0.19 1
Trypanosoma cruzi hypothetical protein, conserved 0.0128 0.0555 1
Brugia malayi Probable 3',5'-cyclic phosphodiesterase T04D3.3, putative 0.0128 0.0555 0.0555
Trypanosoma brucei cAMP-specific phosphodiesterase 0.0128 0.0555 1
Leishmania major hypothetical protein, conserved 0.0128 0.0555 1
Leishmania major heat shock protein 83-1 0.0039 0.0027 0.0481
Leishmania major heat shock protein 83-1 0.0039 0.0027 0.0481
Trichomonas vaginalis calcium/calmodulin-dependent 3,5-cyclic nucleotide phosphodiesterase, putative 0.0128 0.0555 0.2919
Trichomonas vaginalis calcium/calmodulin-dependent 3',5'-cyclic nucleotide phosphodiesterase, putative 0.0128 0.0555 0.2919
Echinococcus granulosus heat shock protein 0.0039 0.0027 0.0071
Toxoplasma gondii 3'5'-cyclic nucleotide phosphodiesterase domain-containing protein 0.0128 0.0555 1
Toxoplasma gondii 3'5'-cyclic nucleotide phosphodiesterase domain-containing protein 0.0128 0.0555 1
Mycobacterium tuberculosis Probable fructose-bisphosphate aldolase Fba 0.0172 0.0822 0.7343
Giardia lamblia Hypothetical protein 0.0128 0.0555 0.2819
Toxoplasma gondii 3'5'-cyclic nucleotide phosphodiesterase domain-containing protein 0.0128 0.0555 1
Plasmodium falciparum phosphodiesterase delta, putative 0.0128 0.0555 1
Echinococcus granulosus cAMP and cAMP inhibited cGMP 3'5' cyclic 0.0128 0.0555 0.147
Trypanosoma cruzi hypothetical protein, conserved 0.0128 0.0555 1
Plasmodium vivax 3',5'-cyclic nucleotide phosphodiesterase, putative 0.0128 0.0555 1
Schistosoma mansoni cgmp-dependent 35-cyclic phosphodiesterase 0.0128 0.0555 0.0555
Giardia lamblia CAMP-specific 3,5-cyclic phosphodiesterase 4B 0.0128 0.0555 0.2819
Echinococcus multilocularis cAMP specific 3',5' cyclic phosphodiesterase 0.0128 0.0555 0.147
Trichomonas vaginalis cyclic nucleotide phosphodiesterase, putative 0.0128 0.0555 0.2919
Toxoplasma gondii 3'5'-cyclic nucleotide phosphodiesterase domain-containing protein 0.0128 0.0555 1
Treponema pallidum fructose-bisphosphate aldolase 0.0353 0.19 0.5
Entamoeba histolytica fructose-1,6-bisphosphate aldolase, putative 0.0353 0.19 1
Toxoplasma gondii 3'5'-cyclic nucleotide phosphodiesterase domain-containing protein 0.0128 0.0555 1
Brugia malayi 3'5'-cyclic nucleotide phosphodiesterase family protein 0.0128 0.0555 0.0555
Leishmania major heat shock protein 83-1 0.0039 0.0027 0.0481
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.0353 0.19 1
Mycobacterium ulcerans fructose-bisphosphate aldolase 0.0172 0.0822 1
Trichomonas vaginalis cGMP-specific 3,5-cyclic phosphodiesterase, putative 0.0128 0.0555 0.2919
Leishmania major heat shock protein 83-1 0.0039 0.0027 0.0481
Leishmania major heat shock protein 83-1 0.0039 0.0027 0.0481
Trichomonas vaginalis cAMP-specific phosphodiesterase, putative 0.0128 0.0555 0.2919
Trypanosoma brucei heat shock protein, putative 0.0039 0.0027 0.0481
Trichomonas vaginalis cGMP-inhibited 3,5-cyclic phosphodiesterase, putative 0.0128 0.0555 0.2919
Schistosoma mansoni calcium/calmodulin-dependent 35-cyclic nucleotide phosphodiesterase 0.0128 0.0555 0.0555
Echinococcus granulosus geminin 0.0205 0.1014 0.2688
Trypanosoma cruzi heat shock protein 85, putative 0.0039 0.0027 0.0481
Brugia malayi jmjC domain containing protein 0.0071 0.0216 0.0216
Trypanosoma brucei 3', 5'-cyclic nucleotide phosphodiesterase, putative 0.0128 0.0555 1
Trypanosoma brucei cAMP phosphodiesterase A, putative 0.0128 0.0555 1
Leishmania major heat shock protein 83-1 0.0039 0.0027 0.0481
Toxoplasma gondii heat shock protein HSP90 0.0039 0.0027 0.0481
Trypanosoma brucei heat shock protein, putative 0.0039 0.0027 0.0481
Leishmania major heat shock protein 83-1 0.0039 0.0027 0.0481
Trypanosoma brucei heat shock protein, putative 0.0039 0.0027 0.0481
Echinococcus multilocularis high affinity cAMP specific 3',5' cyclic 0.0128 0.0555 0.147
Toxoplasma gondii 3'5'-cyclic nucleotide phosphodiesterase domain-containing protein 0.0128 0.0555 1
Echinococcus granulosus microtubule associated protein 2 0.0667 0.3773 1
Loa Loa (eye worm) calcium/calmodulin-stimulated cyclic nucleotide phosphodiesterase 0.1709 1 1
Trichomonas vaginalis high-affinity cGMP-specific 3,5-cyclic phosphodiesterase, putative 0.0128 0.0555 0.2919
Loa Loa (eye worm) hypothetical protein 0.1582 0.9238 0.9238
Schistosoma mansoni jumonji/arid domain-containing protein 0.0071 0.0216 0.0216
Trypanosoma brucei heat shock protein, putative 0.0039 0.0027 0.0481
Toxoplasma gondii 3'5'-cyclic nucleotide phosphodiesterase domain-containing protein 0.0128 0.0555 1
Plasmodium vivax endoplasmin, putative 0.0039 0.0027 0.0481
Giardia lamblia Fructose-bisphosphate aldolase 0.0353 0.19 1
Trypanosoma brucei cAMP-specific phosphodiesterase, putative 0.0128 0.0555 1
Echinococcus multilocularis cAMP specific 3',5' cyclic phosphodiesterase 0.0128 0.0555 0.147
Leishmania major cAMP phosphodiesterase A, putative;with=GeneDB:LinJ18_V3.1100 0.0128 0.0555 1
Echinococcus multilocularis microtubule associated protein 2 0.0667 0.3773 1
Trypanosoma cruzi heat shock protein 90, putative 0.0039 0.0027 0.0481
Loa Loa (eye worm) PDE1B protein 0.0128 0.0555 0.0555
Trichomonas vaginalis cyclic nucleotide phosphodiesterase, putative 0.0128 0.0555 0.2919
Echinococcus granulosus cAMP specific 3'5' cyclic phosphodiesterase 0.0128 0.0555 0.147
Loa Loa (eye worm) hypothetical protein 0.1582 0.9238 0.9238
Schistosoma mansoni camp/cgmp cyclic nucleotide phosphodiesterase 0.0128 0.0555 0.0555
Trichomonas vaginalis cyclic nucleotide phosphodiesterase, putative 0.0128 0.0555 0.2919
Schistosoma mansoni camp-specific cyclic nucleotide phosphodiesterase 0.1709 1 1
Echinococcus granulosus calcium:calmodulin dependent 3'5' cyclic 0.0128 0.0555 0.147
Echinococcus multilocularis geminin 0.0205 0.1014 0.2688
Trichomonas vaginalis conserved hypothetical protein 0.0128 0.0555 0.2919
Schistosoma mansoni high-affinity cgmp-specific 35-cyclic phosphodiesterase 0.0128 0.0555 0.0555
Brugia malayi Probable 3',5'-cyclic phosphodiesterase C32E12.2, putative 0.0128 0.0555 0.0555
Trichomonas vaginalis high-affinity cGMP-specific 3,5-cyclic phosphodiesterase, putative 0.0128 0.0555 0.2919
Echinococcus granulosus high affinity cAMP specific 3'5' cyclic 0.0128 0.0555 0.147
Echinococcus multilocularis lysine specific demethylase 5A 0.0071 0.0216 0.0574
Trichomonas vaginalis calcium/calmodulin-dependent 3,5-cyclic nucleotide phosphodiesterase, putative 0.0128 0.0555 0.2919
Echinococcus granulosus dual 3'5' cyclic AMP and GMP phosphodiesterase 0.0128 0.0555 0.147
Schistosoma mansoni jumonji domain containing protein 0.0071 0.0216 0.0216
Plasmodium falciparum 3',5'-cyclic nucleotide phosphodiesterase, putative 0.0128 0.0555 1
Trichomonas vaginalis calcium/calmodulin-dependent 3,5-cyclic nucleotide phosphodiesterase, putative 0.0128 0.0555 0.2919
Leishmania major hypothetical protein, conserved 0.0128 0.0555 1
Schistosoma mansoni endoplasmin 0.0039 0.0027 0.0027
Onchocerca volvulus 0.0035 0 0.5
Trypanosoma cruzi cAMP specific phosphodiesterase, putative 0.0128 0.0555 1
Loa Loa (eye worm) hypothetical protein 0.0128 0.0555 0.0555
Leishmania major heat shock protein 83-1 0.0039 0.0027 0.0481
Trypanosoma brucei Heat shock protein 83, putative 0.0039 0.0027 0.0481
Trichomonas vaginalis cGMP-dependent 3,5-cyclic phosphodiesterase, putative 0.0128 0.0555 0.2919
Onchocerca volvulus 0.0035 0 0.5
Leishmania major heat shock protein 83-1 0.0039 0.0027 0.0481
Echinococcus multilocularis calcium:calmodulin dependent 3',5' cyclic 0.0128 0.0555 0.147
Trichomonas vaginalis high-affinity cGMP-specific 3,5-cyclic phosphodiesterase, putative 0.0128 0.0555 0.2919
Schistosoma mansoni endoplasmin 0.0039 0.0027 0.0027
Giardia lamblia hypothetical protein 0.0128 0.0555 0.2819
Trypanosoma brucei cAMP-specific phosphodiesterase 0.0128 0.0555 1
Schistosoma mansoni camp-specific 35-cyclic phosphodiesterase 0.0128 0.0555 0.0555
Echinococcus granulosus cAMP specific 3'5' cyclic phosphodiesterase 0.0128 0.0555 0.147
Leishmania major cAMP-specific phosphodiesterase, putative 0.0128 0.0555 1
Trypanosoma brucei 3', 5'-cyclic nucleotide phosphodiesterase, putative 0.0128 0.0555 1
Brugia malayi 3'5'-cyclic nucleotide phosphodiesterase family protein 0.0128 0.0555 0.0555
Toxoplasma gondii 3'5'-cyclic nucleotide phosphodiesterase domain-containing protein 0.0128 0.0555 1
Echinococcus multilocularis heat shock protein 0.0039 0.0027 0.0071
Echinococcus multilocularis cAMP and cAMP inhibited cGMP 3',5' cyclic 0.0128 0.0555 0.147
Echinococcus multilocularis dual 3',5' cyclic AMP and GMP phosphodiesterase 0.0128 0.0555 0.147
Loa Loa (eye worm) hypothetical protein 0.1582 0.9238 0.9238
Trichomonas vaginalis cGMP-inhibited 3,5-cyclic phosphodiesterase, putative 0.0128 0.0555 0.2919
Trichomonas vaginalis high-affinity cGMP-specific 3,5-cyclic phosphodiesterase, putative 0.0128 0.0555 0.2919
Echinococcus granulosus heat shock protein 90 0.0039 0.0027 0.0071
Trichomonas vaginalis cGMP-dependent 3,5-cyclic phosphodiesterase, putative 0.0128 0.0555 0.2919
Plasmodium falciparum cGMP-specific phosphodiesterase 0.0128 0.0555 1
Trichomonas vaginalis cGMP-specific 3,5-cyclic phosphodiesterase, putative 0.0128 0.0555 0.2919
Schistosoma mansoni hypothetical protein 0.0205 0.1014 0.1014
Trichomonas vaginalis high-affinity cGMP-specific 3,5-cyclic phosphodiesterase, putative 0.0128 0.0555 0.2919
Schistosoma mansoni camp-specific 35-cyclic phosphodiesterase 0.0128 0.0555 0.0555
Trichomonas vaginalis cyclic nucleotide phosphodiesterase, putative 0.0128 0.0555 0.2919
Echinococcus multilocularis Transcription factor, JmjC domain containing protein 0.0071 0.0216 0.0574
Toxoplasma gondii 3'5'-cyclic nucleotide phosphodiesterase domain-containing protein 0.0128 0.0555 1
Toxoplasma gondii heat shock protein 90, putative 0.0039 0.0027 0.0481
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.0353 0.19 1
Onchocerca volvulus 0.0035 0 0.5
Trichomonas vaginalis rod cGMP-specific 3,5-cyclic phosphodiesterase, putative 0.0128 0.0555 0.2919
Schistosoma mansoni heat shock protein 0.0039 0.0027 0.0027
Trichomonas vaginalis cAMP and cAMP-inhibited cGMP 3,5-cyclic phosphodiesterase, putative 0.0128 0.0555 0.2919
Trichomonas vaginalis cyclic nucleotide phosphodiesterase, putative 0.0128 0.0555 0.2919
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.0353 0.19 1
Mycobacterium tuberculosis Possible penicillin-binding protein 0.0222 0.1119 1
Toxoplasma gondii 3'5'-cyclic nucleotide phosphodiesterase domain-containing protein 0.0128 0.0555 1
Trichomonas vaginalis high-affinity cGMP-specific 3,5-cyclic phosphodiesterase, putative 0.0128 0.0555 0.2919
Trichomonas vaginalis heat shock protein, putative 0.0039 0.0027 0.014
Trichomonas vaginalis calcium/calmodulin-dependent 3,5-cyclic nucleotide phosphodiesterase, putative 0.0128 0.0555 0.2919
Schistosoma mansoni high-affinity cgmp-specific 35-cyclic phosphodiesterase 0.0128 0.0555 0.0555
Loa Loa (eye worm) hypothetical protein 0.1709 1 1

Activities

Activity type Activity value Assay description Source Reference
EC50 (functional) = 0.783 uM PUBCHEM_BIOASSAY: Fluorescence Cell-Based Secondary Assay to Identify Inhibitors of Resistant C. albicans Growth in the Presence of Fluconazole. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID1979, AID2007] ChEMBL. No reference
EC50 (functional) = 2.051 uM PUBCHEM_BIOASSAY: Fluorescence Cell-Based Secondary Assay to Measure Toxicity of Compounds Not in the Presence of Fluconazole. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID1979, AID2007, AID434946] ChEMBL. No reference
EC50 (functional) > 160 uM PUBCHEM_BIOASSAY: Luminescence Cell-Based Secondary Assay to Identify Inhibitors of Hsp90. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID1979, AID2007, AID434938] ChEMBL. No reference
EC50 (functional) > 180 uM PUBCHEM_BIOASSAY: Luminescence Cell-Based Secondary Assay to Identify Inhibitors of Calcineurin. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID1979, AID2007] ChEMBL. No reference
IC50 (functional) > 118.601 uM PUBCHEM_BIOASSAY: Counterscreen for AddAB inhibitors: absorbance-based bacterial cell-based high throughput dose response assay to identify inhibitors of RecBCD. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID435030, AID449728, AID449731, AID488942, AID488955, AID488956] ChEMBL. No reference
Potency (functional) 0.1636 uM PubChem BioAssay. A quantitative high throughput screen for small molecules that induce DNA re-replication in SW480 colon adenocarcinoma cells. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) = 7.9433 um PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of Human Jumonji Domain Containing 2E (JMJD2E). (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 14.7157 uM PUBCHEM_BIOASSAY: Primary qHTS for delayed death inhibitors of the malarial parasite plastid, 96 hour incubation. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID488745, AID488752, AID488774, AID504848, AID504850] ChEMBL. No reference
Potency (functional) = 17.7407 um PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of Fructose-1,6-bisphosphate Aldolase from Giardia Lamblia. (Class of assay: confirmatory) [Related pubchem assays: 2472, 2464 ] ChEMBL. No reference
Potency (functional) 28.1838 uM PubChem BioAssay. qHTS Assay to Find Inhibitors of Pin1. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) = 50.1187 um PUBCHEM_BIOASSAY: qHTS Assay for the Inhibitors of Schistosoma Mansoni Peroxiredoxins. (Class of assay: confirmatory) [Related pubchem assays: 1011 (Confirmation Concentration-Response Assay for Inhibitors of the Schistosoma mansoni Redox Cascade ), 448 (Schistosoma Mansoni Peroxiredoxins (Prx2) and thioredoxin glutathione reductase (TGR) coupled assay)] ChEMBL. No reference
Potency (functional) = 56.2341 um PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of Bacillus subtilis Sfp phosphopantetheinyl transferase (PPTase). (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 63.0957 uM PUBCHEM_BIOASSAY: HTS for Inhibitors of HP1-beta Chromodomain Interactions with Methylated Histone Tails. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID488962] ChEMBL. No reference

Phenotypes

Whole-cell/tissue/organism interactions

Species name Source Reference Is orphan
Plasmodium falciparum ChEMBL23

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

No literature references available for this target.

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