Detailed information for compound 326282

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 869.947 | Formula: C45H59NO16
  • H donors: 4 H acceptors: 9 LogP: 3.05 Rotable bonds: 17
    Rule of 5 violations (Lipinski): 2
  • SMILES: COc1ccc(c(c1)C(=O)O[C@H]1[C@@H]2[C@@]3(CO[C@@H]3C[C@@H]([C@@]2(C)C(=O)[C@@H](C2=C([C@H](C[C@]1(O)C2(C)C)OC(=O)[C@@H]([C@@H](NC(=O)C=C(C)C)C=C(C)C)O)C)OC(=O)C)O)OC(=O)C)OC
  • InChi: 1S/C45H59NO16/c1-21(2)15-28(46-33(50)16-22(3)4)35(51)41(54)60-30-19-45(55)39(61-40(53)27-17-26(56-11)13-14-29(27)57-12)37-43(10,31(49)18-32-44(37,20-58-32)62-25(7)48)38(52)36(59-24(6)47)34(23(30)5)42(45,8)9/h13-17,28,30-32,35-37,39,49,51,55H,18-20H2,1-12H3,(H,46,50)/t28-,30-,31-,32+,35+,36+,37-,39-,43+,44-,45+/m0/s1
  • InChiKey: RIELWNCYTFUYKI-QTSUZWJMSA-N  


Substructure search Similarity search

Network

Hover on a compound node to display the structore

Synonyms

No synonyms found for this compound

Targets

Known targets for this compound

No curated genes were found associated with this compound

Predicted pathogen targets for this compound

By orthology
No druggable targets predicted by orthology data
By sequence similarity to non orthologous known druggable targets
No druggable targets predicted by sequence similarity
Obtained from network model

Ranking Plot

Putative Targets List

Species Potential target Raw Global Species
Leishmania major hypothetical protein, conserved 0.0029 0.0175 0.0063
Trichomonas vaginalis rod cGMP-specific 3,5-cyclic phosphodiesterase, putative 0.0105 0.1087 0.4714
Toxoplasma gondii 3'5'-cyclic nucleotide phosphodiesterase domain-containing protein 0.0029 0.0175 0.0063
Loa Loa (eye worm) transcription factor SMAD2 0.0117 0.1231 0.1901
Trichomonas vaginalis cone cGMP-specific 3,5-cyclic phosphodiesterase, putative 0.0105 0.1087 0.4714
Echinococcus multilocularis tar DNA binding protein 0.007 0.0659 0.0659
Trypanosoma cruzi dihydrofolate reductase-thymidylate synthase, putative 0.0162 0.1777 0.4302
Loa Loa (eye worm) calcium/calmodulin-stimulated cyclic nucleotide phosphodiesterase 0.0029 0.0175 0.0255
Loa Loa (eye worm) RNA recognition domain-containing protein domain-containing protein 0.007 0.0659 0.101
Schistosoma mansoni hypothetical protein 0.0363 0.4193 0.4193
Trypanosoma cruzi hypothetical protein, conserved 0.0074 0.0718 0.1502
Brugia malayi beta-lactamase family protein 0.0074 0.0718 0.1045
Mycobacterium tuberculosis Hypothetical protein 0.0162 0.1777 0.2192
Plasmodium vivax 3',5'-cyclic nucleotide phosphodiesterase, putative 0.0029 0.0175 0.0063
Echinococcus granulosus cpg binding protein 0.0063 0.0578 0.0578
Trypanosoma cruzi cAMP specific phosphodiesterase, putative 0.0029 0.0175 0.0063
Echinococcus multilocularis high affinity cAMP specific 3',5' cyclic 0.0029 0.0175 0.0175
Trypanosoma cruzi cAMP specific phosphodiesterase, putative 0.0105 0.1087 0.2478
Loa Loa (eye worm) CXXC zinc finger family protein 0.0059 0.0537 0.082
Echinococcus granulosus cAMP and cAMP inhibited cGMP 3'5' cyclic 0.0579 0.6785 0.6785
Toxoplasma gondii 3'5'-cyclic nucleotide phosphodiesterase domain-containing protein 0.0029 0.0175 0.0063
Brugia malayi F/Y-rich N-terminus family protein 0.0018 0.0041 0.0044
Leishmania major cAMP-specific phosphodiesterase, putative 0.0029 0.0175 0.0063
Schistosoma mansoni tar DNA-binding protein 0.007 0.0659 0.0659
Toxoplasma gondii histone lysine methyltransferase SET1 0.0113 0.1176 0.2713
Onchocerca volvulus 0.0342 0.3931 1
Mycobacterium ulcerans putative regulatory protein 0.0076 0.0735 0.0053
Loa Loa (eye worm) beta-LACTamase domain containing family member 0.0074 0.0718 0.1102
Loa Loa (eye worm) hypothetical protein 0.0145 0.1567 0.2423
Trichomonas vaginalis high-affinity cGMP-specific 3,5-cyclic phosphodiesterase, putative 0.0105 0.1087 0.4714
Brugia malayi MH2 domain containing protein 0.0117 0.1231 0.1802
Trichomonas vaginalis D-aminoacylase, putative 0.0074 0.0718 0.2807
Toxoplasma gondii 3'5'-cyclic nucleotide phosphodiesterase domain-containing protein 0.0029 0.0175 0.0063
Schistosoma mansoni high-affinity cgmp-specific 35-cyclic phosphodiesterase 0.0029 0.0175 0.0175
Trypanosoma cruzi GAF domain/TIP41-like family, putative 0.0085 0.0846 0.184
Trypanosoma cruzi cyclic nucleotide phosphodiesterase 0.0029 0.0175 0.0063
Plasmodium falciparum phosphodiesterase gamma, putative 0.0029 0.0175 0.0063
Echinococcus multilocularis muscleblind protein 1 0.0145 0.1567 0.1567
Plasmodium falciparum cGMP-specific phosphodiesterase 0.0029 0.0175 0.0063
Loa Loa (eye worm) beta-lactamase 0.0074 0.0718 0.1102
Trichomonas vaginalis penicillin-binding protein, putative 0.0074 0.0718 0.2807
Toxoplasma gondii ABC1 family protein 0.0074 0.0718 0.1502
Trichomonas vaginalis cGMP-specific 3,5-cyclic phosphodiesterase, putative 0.0105 0.1087 0.4714
Schistosoma mansoni high-affinity cgmp-specific 35-cyclic phosphodiesterase 0.0029 0.0175 0.0175
Schistosoma mansoni lamin 0.0029 0.0174 0.0174
Toxoplasma gondii 3'5'-cyclic nucleotide phosphodiesterase domain-containing protein 0.0029 0.0175 0.0063
Leishmania major dihydrofolate reductase-thymidylate synthase 0.0342 0.3931 1
Toxoplasma gondii 3'5'-cyclic nucleotide phosphodiesterase domain-containing protein 0.0029 0.0175 0.0063
Trichomonas vaginalis high-affinity cGMP-specific 3,5-cyclic phosphodiesterase, putative 0.0114 0.1198 0.5286
Mycobacterium ulcerans two component sensor histidine kinase DevS 0.0161 0.1759 0.324
Brugia malayi beta-lactamase 0.0074 0.0718 0.1045
Trypanosoma cruzi cAMP phosphodiesterase A, putative 0.0029 0.0175 0.0063
Trichomonas vaginalis cAMP-specific 3,5-cyclic phosphodiesterase, putative 0.0105 0.1087 0.4714
Trichomonas vaginalis D-aminoacylase, putative 0.0074 0.0718 0.2807
Echinococcus multilocularis thymidylate synthase 0.0342 0.3931 0.3931
Trypanosoma cruzi hypothetical protein, conserved 0.0029 0.0175 0.0063
Schistosoma mansoni tar DNA-binding protein 0.007 0.0659 0.0659
Loa Loa (eye worm) hypothetical protein 0.0027 0.0151 0.0218
Loa Loa (eye worm) hypothetical protein 0.0074 0.0718 0.1102
Loa Loa (eye worm) intermediate filament protein 0.0029 0.0174 0.0254
Trichomonas vaginalis cAMP-specific phosphodiesterase, putative 0.0105 0.1087 0.4714
Echinococcus multilocularis beta LACTamase domain containing family member 0.0074 0.0718 0.0718
Plasmodium vivax hypothetical protein, conserved 0.0076 0.0735 0.1546
Mycobacterium tuberculosis Probable thymidylate synthase ThyA (ts) (TSASE) 0.0342 0.3931 0.6654
Brugia malayi thymidylate synthase 0.0342 0.3931 0.5787
Echinococcus multilocularis calcium:calmodulin dependent 3',5' cyclic 0.0029 0.0175 0.0175
Trichomonas vaginalis cone cGMP-specific 3,5-cyclic phosphodiesterase, putative 0.0105 0.1087 0.4714
Echinococcus granulosus cAMP specific 3'5' cyclic phosphodiesterase 0.0029 0.0175 0.0175
Echinococcus granulosus high affinity cAMP specific 3'5' cyclic 0.0029 0.0175 0.0175
Toxoplasma gondii 3'5'-cyclic nucleotide phosphodiesterase domain-containing protein 0.0029 0.0175 0.0063
Schistosoma mansoni calcium/calmodulin-dependent 35-cyclic nucleotide phosphodiesterase 0.0029 0.0175 0.0175
Schistosoma mansoni hypothetical protein 0.0363 0.4193 0.4193
Trypanosoma cruzi hypothetical protein, conserved 0.0029 0.0175 0.0063
Brugia malayi Hypothetical 52.5 kDa protein ZK945.1 in chromosome II, putative 0.0074 0.0718 0.1045
Brugia malayi CXXC zinc finger family protein 0.0059 0.0537 0.0777
Loa Loa (eye worm) hypothetical protein 0.0074 0.0718 0.1102
Leishmania major hypothetical protein, conserved 0.0074 0.0718 0.1502
Loa Loa (eye worm) hypothetical protein 0.0074 0.0718 0.1102
Plasmodium vivax cyclic nucleotide phosphodiesterase, putative 0.0029 0.0175 0.0063
Echinococcus granulosus tar DNA binding protein 0.007 0.0659 0.0659
Trichomonas vaginalis cyclic nucleotide phosphodiesterase, putative 0.0105 0.1087 0.4714
Onchocerca volvulus 0.0059 0.0537 0.0967
Toxoplasma gondii 3'5'-cyclic nucleotide phosphodiesterase domain-containing protein 0.0029 0.0175 0.0063
Schistosoma mansoni camp-specific 35-cyclic phosphodiesterase 0.0029 0.0175 0.0175
Trichomonas vaginalis cyclic nucleotide phosphodiesterase, putative 0.019 0.2111 1
Mycobacterium tuberculosis Two component sensor histidine kinase DosT 0.0076 0.0735 0.0035
Echinococcus multilocularis cpg binding protein 0.0063 0.0578 0.0578
Brugia malayi 3'5'-cyclic nucleotide phosphodiesterase family protein 0.0029 0.0175 0.0242
Trypanosoma brucei 3', 5'-cyclic nucleotide phosphodiesterase, putative 0.0029 0.0175 0.0063
Schistosoma mansoni cpg binding protein 0.0063 0.0578 0.0578
Echinococcus multilocularis muscleblind protein 0.0145 0.1567 0.1567
Trichomonas vaginalis calcium/calmodulin-dependent 3,5-cyclic nucleotide phosphodiesterase, putative 0.0105 0.1087 0.4714
Plasmodium falciparum cGMP-specific phosphodiesterase 0.0029 0.0175 0.0063
Giardia lamblia CAMP-specific 3,5-cyclic phosphodiesterase 4B 0.0029 0.0175 0.5
Toxoplasma gondii 3'5'-cyclic nucleotide phosphodiesterase domain-containing protein 0.0029 0.0175 0.0063
Brugia malayi beta-lactamase family protein 0.0074 0.0718 0.1045
Loa Loa (eye worm) hypothetical protein 0.0029 0.0175 0.0255
Brugia malayi Probable 3',5'-cyclic phosphodiesterase C32E12.2, putative 0.0579 0.6785 1
Echinococcus multilocularis calcium:calmodulin dependent 3',5' cyclic 0.0029 0.0175 0.0175
Toxoplasma gondii GAF domain-containing protein 0.0076 0.0735 0.1546
Trichomonas vaginalis cGMP-specific 3,5-cyclic phosphodiesterase, putative 0.0105 0.1087 0.4714
Trypanosoma brucei hypothetical protein, conserved 0.0074 0.0718 0.1502
Trichomonas vaginalis rod cGMP-specific 3,5-cyclic phosphodiesterase, putative 0.0105 0.1087 0.4714
Trichomonas vaginalis cGMP-dependent 3,5-cyclic phosphodiesterase, putative 0.0105 0.1087 0.4714
Echinococcus granulosus geminin 0.0363 0.4193 0.4193
Plasmodium vivax bifunctional dihydrofolate reductase-thymidylate synthase, putative 0.0342 0.3931 1
Echinococcus multilocularis histone lysine N methyltransferase MLL3 0.0018 0.0044 0.0044
Echinococcus multilocularis cAMP and cAMP inhibited cGMP 3',5' cyclic 0.0579 0.6785 0.6785
Trichomonas vaginalis penicillin-binding protein, putative 0.0074 0.0718 0.2807
Plasmodium falciparum phosphodiesterase delta, putative 0.0029 0.0175 0.0063
Trypanosoma cruzi GAF domain/TIP41-like family, putative 0.0085 0.0846 0.184
Trypanosoma cruzi hypothetical protein, conserved 0.0074 0.0718 0.1502
Trypanosoma brucei cAMP phosphodiesterase A, putative 0.0029 0.0175 0.0063
Toxoplasma gondii hypothetical protein 0.0076 0.0735 0.1546
Trichomonas vaginalis conserved hypothetical protein 0.0076 0.0735 0.2895
Onchocerca volvulus 0.0074 0.0718 0.145
Echinococcus granulosus lamin dm0 0.0029 0.0174 0.0174
Echinococcus granulosus intermediate filament protein 0.0029 0.0174 0.0174
Schistosoma mansoni high-affinity cgmp-specific 35-cyclic phosphodiesterase 0.0029 0.0175 0.0175
Schistosoma mansoni tar DNA-binding protein 0.007 0.0659 0.0659
Loa Loa (eye worm) thymidylate synthase 0.0342 0.3931 0.6104
Trypanosoma brucei 3', 5'-cyclic nucleotide phosphodiesterase, putative 0.0029 0.0175 0.0063
Schistosoma mansoni hypothetical protein 0.0846 1 1
Plasmodium falciparum GAF domain-related protein, putative 0.0076 0.0735 0.1546
Trypanosoma brucei GAF domain/TIP41-like family, putative 0.0085 0.0846 0.184
Trypanosoma brucei dihydrofolate reductase-thymidylate synthase 0.0342 0.3931 1
Echinococcus multilocularis geminin 0.0363 0.4193 0.4193
Toxoplasma gondii 3'5'-cyclic nucleotide phosphodiesterase domain-containing protein 0.0029 0.0175 0.0063
Giardia lamblia Hypothetical protein 0.0029 0.0175 0.5
Echinococcus granulosus lamin 0.0029 0.0174 0.0174
Echinococcus granulosus calcium:calmodulin dependent 3'5' cyclic 0.0029 0.0175 0.0175
Brugia malayi RNA binding protein 0.007 0.0659 0.0957
Brugia malayi Muscleblind-like protein 0.0145 0.1567 0.2297
Brugia malayi Probable 3',5'-cyclic phosphodiesterase T04D3.3, putative 0.0029 0.0175 0.0242
Schistosoma mansoni camp-specific cyclic nucleotide phosphodiesterase 0.0029 0.0175 0.0175
Trichomonas vaginalis cyclic nucleotide phosphodiesterase, putative 0.0105 0.1087 0.4714
Trichomonas vaginalis conserved hypothetical protein 0.0076 0.0735 0.2895
Trypanosoma cruzi hypothetical protein, conserved 0.0029 0.0175 0.0063
Mycobacterium ulcerans thymidylate synthase 0.0342 0.3931 1
Trypanosoma cruzi cAMP specific phosphodiesterase, putative 0.0105 0.1087 0.2478
Echinococcus multilocularis lamin dm0 0.0029 0.0174 0.0174
Trichomonas vaginalis conserved hypothetical protein 0.019 0.2111 1
Trichomonas vaginalis cGMP-dependent 3,5-cyclic phosphodiesterase, putative 0.0105 0.1087 0.4714
Trypanosoma brucei hypothetical protein, conserved 0.0029 0.0175 0.0063
Brugia malayi RNA recognition motif domain containing protein 0.007 0.0659 0.0957
Trypanosoma cruzi cAMP-specific phosphodiesterase, putative 0.0029 0.0175 0.0063
Loa Loa (eye worm) hypothetical protein 0.0474 0.552 0.8579
Trichomonas vaginalis cAMP/cGMP cyclic nucleotide phosphodiesterase, putative 0.0105 0.1087 0.4714
Schistosoma mansoni bifunctional dihydrofolate reductase-thymidylate synthase 0.0342 0.3931 0.3931
Schistosoma mansoni camp-specific 35-cyclic phosphodiesterase 0.0029 0.0175 0.0175
Brugia malayi TAR-binding protein 0.007 0.0659 0.0957
Echinococcus granulosus histone lysine N methyltransferase MLL3 0.0018 0.0044 0.0044
Loa Loa (eye worm) hypothetical protein 0.0074 0.0718 0.1102
Loa Loa (eye worm) MH2 domain-containing protein 0.0117 0.1231 0.1901
Trypanosoma brucei cAMP-specific phosphodiesterase 0.0105 0.1087 0.2478
Echinococcus multilocularis cAMP specific 3',5' cyclic phosphodiesterase 0.0029 0.0175 0.0175
Trichomonas vaginalis conserved hypothetical protein 0.0076 0.0735 0.2895
Echinococcus multilocularis high affinity cgmp specific 3' 5' cyclic 0.0029 0.0175 0.0175
Loa Loa (eye worm) histone methyltransferase 0.0018 0.0044 0.0051
Mycobacterium ulcerans putative regulatory protein 0.0076 0.0735 0.0053
Brugia malayi 3'5'-cyclic nucleotide phosphodiesterase family protein 0.0298 0.3402 0.5006
Trichomonas vaginalis cGMP-specific 3,5-cyclic phosphodiesterase, putative 0.0105 0.1087 0.4714
Brugia malayi hypothetical protein 0.0018 0.0034 0.0035
Trichomonas vaginalis calcium/calmodulin-dependent 3,5-cyclic nucleotide phosphodiesterase, putative 0.0105 0.1087 0.4714
Schistosoma mansoni cpg binding protein 0.0063 0.0578 0.0578
Mycobacterium tuberculosis Conserved hypothetical protein 0.0085 0.0846 0.0265
Schistosoma mansoni family S12 unassigned peptidase (S12 family) 0.0074 0.0718 0.0718
Schistosoma mansoni intermediate filament proteins 0.0029 0.0174 0.0174
Echinococcus granulosus cAMP specific 3'5' cyclic phosphodiesterase 0.0029 0.0175 0.0175
Mycobacterium tuberculosis Two component sensor histidine kinase DevS 0.0161 0.1759 0.2156
Echinococcus granulosus beta LACTamase domain containing family member 0.0074 0.0718 0.0718
Loa Loa (eye worm) hypothetical protein 0.0145 0.1567 0.2423
Leishmania major hypothetical protein, conserved 0.0085 0.0846 0.184
Trichomonas vaginalis esterase, putative 0.0074 0.0718 0.2807
Schistosoma mansoni cpg binding protein 0.0059 0.0537 0.0537
Trypanosoma cruzi hypothetical protein, conserved 0.0029 0.0175 0.0063
Toxoplasma gondii 3'5'-cyclic nucleotide phosphodiesterase domain-containing protein 0.0029 0.0175 0.0063
Loa Loa (eye worm) TAR-binding protein 0.007 0.0659 0.101
Echinococcus granulosus high affinity cgmp specific 3' 5' cyclic 0.0029 0.0175 0.0175
Toxoplasma gondii 3'5'-cyclic nucleotide phosphodiesterase domain-containing protein 0.0029 0.0175 0.0063
Brugia malayi hypothetical protein 0.0027 0.0151 0.0207
Loa Loa (eye worm) hypothetical protein 0.055 0.6433 1
Trichomonas vaginalis calcium/calmodulin-dependent 3,5-cyclic nucleotide phosphodiesterase, putative 0.0105 0.1087 0.4714
Toxoplasma gondii hypothetical protein 0.0076 0.0735 0.1546
Toxoplasma gondii 3'5'-cyclic nucleotide phosphodiesterase domain-containing protein 0.0029 0.0175 0.0063
Mycobacterium tuberculosis Possible penicillin-binding protein 0.0476 0.5546 1
Trichomonas vaginalis calcium/calmodulin-dependent 3,5-cyclic nucleotide phosphodiesterase, putative 0.0105 0.1087 0.4714
Giardia lamblia hypothetical protein 0.0029 0.0175 0.5
Loa Loa (eye worm) hypothetical protein 0.0298 0.3402 0.5281
Trichomonas vaginalis calcium/calmodulin-dependent 3,5-cyclic nucleotide phosphodiesterase, putative 0.019 0.2111 1
Plasmodium falciparum bifunctional dihydrofolate reductase-thymidylate synthase 0.0342 0.3931 1
Schistosoma mansoni camp/cgmp cyclic nucleotide phosphodiesterase 0.0105 0.1087 0.1087
Echinococcus multilocularis cAMP specific 3',5' cyclic phosphodiesterase 0.0029 0.0175 0.0175
Plasmodium falciparum 3',5'-cyclic nucleotide phosphodiesterase, putative 0.0029 0.0175 0.0063
Trichomonas vaginalis high-affinity cGMP-specific 3,5-cyclic phosphodiesterase, putative 0.0105 0.1087 0.4714
Loa Loa (eye worm) hypothetical protein 0.0029 0.0175 0.0255
Brugia malayi Probable 3',5'-cyclic phosphodiesterase R153.1, putative 0.0029 0.0175 0.0242
Toxoplasma gondii 3'5'-cyclic nucleotide phosphodiesterase domain-containing protein 0.0029 0.0175 0.0063
Trichomonas vaginalis cGMP-inhibited 3,5-cyclic phosphodiesterase, putative 0.0105 0.1087 0.4714
Schistosoma mansoni mixed-lineage leukemia protein mll 0.0126 0.1338 0.1338
Trichomonas vaginalis conserved hypothetical protein 0.0076 0.0735 0.2895
Trichomonas vaginalis calcium/calmodulin-dependent 3,5-cyclic nucleotide phosphodiesterase, putative 0.0105 0.1087 0.4714
Trichomonas vaginalis rod cGMP-specific 3,5-cyclic phosphodiesterase, putative 0.019 0.2111 1
Trichomonas vaginalis high-affinity cGMP-specific 3,5-cyclic phosphodiesterase, putative 0.0105 0.1087 0.4714
Echinococcus multilocularis dual 3',5' cyclic AMP and GMP phosphodiesterase 0.0105 0.1087 0.1087
Plasmodium falciparum 3',5'-cyclic nucleotide phosphodiesterase, putative 0.0029 0.0175 0.0063
Schistosoma mansoni family S12 unassigned peptidase (S12 family) 0.0074 0.0718 0.0718
Trypanosoma cruzi cAMP specific phosphodiesterase, putative 0.0105 0.1087 0.2478
Echinococcus multilocularis musashi 0.0029 0.0174 0.0174
Toxoplasma gondii bifunctional dihydrofolate reductase-thymidylate synthase 0.0342 0.3931 1
Trypanosoma cruzi cAMP phosphodiesterase A, putative 0.0029 0.0175 0.0063
Echinococcus multilocularis lamin 0.0029 0.0174 0.0174
Onchocerca volvulus 0.0074 0.0718 0.145
Trypanosoma brucei cAMP-specific phosphodiesterase 0.0105 0.1087 0.2478
Loa Loa (eye worm) intermediate filament tail domain-containing protein 0.0029 0.0174 0.0254
Brugia malayi hypothetical protein 0.0162 0.1777 0.2607
Trichomonas vaginalis high-affinity cGMP-specific 3,5-cyclic phosphodiesterase, putative 0.0105 0.1087 0.4714
Loa Loa (eye worm) hypothetical protein 0.0074 0.0718 0.1102
Schistosoma mansoni lamin 0.0029 0.0174 0.0174
Trichomonas vaginalis D-aminoacylase, putative 0.0074 0.0718 0.2807
Trypanosoma cruzi dihydrofolate reductase-thymidylate synthase 0.0342 0.3931 1
Trichomonas vaginalis high-affinity cGMP-specific 3,5-cyclic phosphodiesterase, putative 0.0114 0.1198 0.5286
Toxoplasma gondii 3'5'-cyclic nucleotide phosphodiesterase domain-containing protein 0.0029 0.0175 0.0063
Toxoplasma gondii 3'5'-cyclic nucleotide phosphodiesterase domain-containing protein 0.0029 0.0175 0.0063
Brugia malayi 3'5'-cyclic nucleotide phosphodiesterase family protein 0.0029 0.0175 0.0242
Mycobacterium leprae PROBABLE THYMIDYLATE SYNTHASE THYA (TS) (TSASE) 0.0342 0.3931 1
Leishmania major cAMP phosphodiesterase A, putative;with=GeneDB:LinJ18_V3.1100 0.0029 0.0175 0.0063
Plasmodium vivax hypothetical protein, conserved 0.0074 0.0718 0.1502
Echinococcus granulosus calcium:calmodulin dependent 3'5' cyclic 0.0029 0.0175 0.0175
Loa Loa (eye worm) RNA binding protein 0.007 0.0659 0.101
Trypanosoma cruzi hypothetical protein, conserved 0.0029 0.0175 0.0063
Schistosoma mansoni camp-specific 35-cyclic phosphodiesterase 0.0029 0.0175 0.0175
Loa Loa (eye worm) PDE1B protein 0.0029 0.0175 0.0255
Trypanosoma cruzi hypothetical protein, conserved 0.0029 0.0175 0.0063
Trichomonas vaginalis cAMP-specific 3,5-cyclic phosphodiesterase, putative 0.0105 0.1087 0.4714
Trichomonas vaginalis conserved hypothetical protein 0.0162 0.1777 0.8273
Trichomonas vaginalis high-affinity cGMP-specific 3,5-cyclic phosphodiesterase, putative 0.0105 0.1087 0.4714
Plasmodium vivax 3',5'-cyclic nucleotide phosphodiesterase, putative 0.0029 0.0175 0.0063
Onchocerca volvulus 0.0074 0.0718 0.145
Echinococcus multilocularis dnaJ subfamily B 0.0846 1 1
Toxoplasma gondii 3'5'-cyclic nucleotide phosphodiesterase domain-containing protein 0.0029 0.0175 0.0063
Loa Loa (eye worm) hypothetical protein 0.0074 0.0718 0.1102
Brugia malayi Intermediate filament tail domain containing protein 0.0029 0.0174 0.0241
Trypanosoma brucei cAMP-specific phosphodiesterase, putative 0.0029 0.0175 0.0063
Loa Loa (eye worm) hypothetical protein 0.0029 0.0175 0.0255
Brugia malayi intermediate filament protein 0.0029 0.0174 0.0241
Echinococcus granulosus thymidylate synthase 0.0342 0.3931 0.3931
Toxoplasma gondii hypothetical protein 0.0076 0.0735 0.1546
Schistosoma mansoni tar DNA-binding protein 0.007 0.0659 0.0659
Trichomonas vaginalis cAMP-specific phosphodiesterase, putative 0.0105 0.1087 0.4714
Echinococcus granulosus dual 3'5' cyclic AMP and GMP phosphodiesterase 0.0105 0.1087 0.1087
Loa Loa (eye worm) hypothetical protein 0.0029 0.0174 0.0254
Toxoplasma gondii 3'5'-cyclic nucleotide phosphodiesterase domain-containing protein 0.0029 0.0175 0.0063
Schistosoma mansoni cgmp-dependent 35-cyclic phosphodiesterase 0.0298 0.3402 0.3402
Schistosoma mansoni tar DNA-binding protein 0.007 0.0659 0.0659
Echinococcus granulosus muscleblind protein 0.0145 0.1567 0.1567
Leishmania major hypothetical protein, conserved 0.0029 0.0175 0.0063
Toxoplasma gondii 3'5'-cyclic nucleotide phosphodiesterase domain-containing protein 0.0029 0.0175 0.0063
Mycobacterium leprae conserved hypothetical protein 0.0076 0.0735 0.0053
Schistosoma mansoni camp-specific 35-cyclic phosphodiesterase 0.0029 0.0175 0.0175
Trichomonas vaginalis cGMP-dependent 3,5-cyclic phosphodiesterase, putative 0.0105 0.1087 0.4714
Loa Loa (eye worm) hypothetical protein 0.0029 0.0167 0.0244
Plasmodium vivax phosphodiesterase gamma, putative 0.0029 0.0175 0.0063

Activities

Activity type Activity value Assay description Source Reference
IC50 (functional) = 0.02 uM inhibitory concentration of the compound against the growth of Non-small-cell lung carcinoma A549 cell line after 72 hr of exposure ChEMBL. 15501062
IC50 (functional) = 0.02 uM inhibitory concentration of the compound against the growth of breast cancer MCF-7 cell line after 72 hr of exposure ChEMBL. 15501062
IC50 (functional) = 0.02 uM inhibitory concentration of the compound against the growth of Non-small-cell lung carcinoma A549 cell line after 72 hr of exposure ChEMBL. 15501062
IC50 (functional) = 0.02 uM inhibitory concentration of the compound against the growth of breast cancer MCF-7 cell line after 72 hr of exposure ChEMBL. 15501062

Phenotypes

Whole-cell/tissue/organism interactions

Species name Source Reference Is orphan
Homo sapiens ChEMBL23 15501062

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.