Detailed information for compound 1453539

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 822.894 | Formula: C43H54N2O14
  • H donors: 5 H acceptors: 9 LogP: 2.96 Rotable bonds: 4
    Rule of 5 violations (Lipinski): 2
  • SMILES: CO[C@@H]1/C=C\O[C@@]2(C)Oc3c(C2=O)c2/C(=N/[C@H]4CC[C@@H](O[C@@H]4C)O)/C=C(C(=O)c2c(c3C)O)NC(=O)/C(=C\C(=O)[C@H]2[C@@H]([C@H]([C@@H]([C@H]([C@@H]([C@@H]([C@@H]1C)OC(=O)C)C)O)C)O)C2)/C
  • InChi: 1S/C43H54N2O14/c1-17-14-29(47)24-15-25(24)36(50)19(3)35(49)20(4)39(58-23(7)46)18(2)30(55-9)12-13-56-43(8)41(53)34-32-27(44-26-10-11-31(48)57-22(26)6)16-28(45-42(17)54)38(52)33(32)37(51)21(5)40(34)59-43/h12-14,16,18-20,22,24-26,30-31,35-36,39,48-51H,10-11,15H2,1-9H3,(H,45,54)/b13-12-,17-14-,44-27+/t18-,19-,20+,22-,24-,25+,26+,30-,31-,35-,36+,39-,43+/m1/s1
  • InChiKey: RYCBEGMWBUYSAD-SDPKPUQKSA-N  


Substructure search Similarity search

Network

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Synonyms

No synonyms found for this compound

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Homo sapiens cytochrome P450, family 2, subfamily C, polypeptide 19 Starlite/ChEMBL No references
Homo sapiens cytochrome P450, family 2, subfamily D, polypeptide 6 Starlite/ChEMBL No references
Homo sapiens hydroxysteroid (17-beta) dehydrogenase 10 Starlite/ChEMBL No references
Homo sapiens hypoxia inducible factor 1, alpha subunit (basic helix-loop-helix transcription factor) Starlite/ChEMBL No references
Homo sapiens cytochrome P450, family 3, subfamily A, polypeptide 4 Starlite/ChEMBL No references
Homo sapiens arachidonate 15-lipoxygenase Starlite/ChEMBL No references
Homo sapiens cytochrome P450, family 2, subfamily C, polypeptide 9 Starlite/ChEMBL No references

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Candida albicans cytochrome P450 556 Get druggable targets OG5_126554 All targets in OG5_126554
Loa Loa (eye worm) CYP4Cod1 Get druggable targets OG5_126554 All targets in OG5_126554
Trypanosoma cruzi cytochrome P450, putative Get druggable targets OG5_126554 All targets in OG5_126554
Leishmania donovani cytochrome p450-like protein Get druggable targets OG5_126554 All targets in OG5_126554
Leishmania infantum 3-oxoacyl-(acyl-carrier protein) reductase, putative Get druggable targets OG5_129031 All targets in OG5_129031
Trypanosoma brucei cytochrome P450, putative Get druggable targets OG5_126554 All targets in OG5_126554
Loa Loa (eye worm) hypoxia-induced factor 1 Get druggable targets OG5_131074 All targets in OG5_131074
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_131074 All targets in OG5_131074
Cryptosporidium hominis scully CG7113-PA Get druggable targets OG5_129031 All targets in OG5_129031
Mycobacterium tuberculosis Probable short-chain type dehydrogenase/reductase Get druggable targets OG5_129031 All targets in OG5_129031
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_126554 All targets in OG5_126554
Leishmania braziliensis cytochrome p450-like protein Get druggable targets OG5_126554 All targets in OG5_126554
Leishmania mexicana 3-oxoacyl-(acyl-carrier protein) reductase, putative Get druggable targets OG5_129031 All targets in OG5_129031
Candida albicans similar to C.maltosa N-alkane inducible cytochrome P-450, ALK8 CYP52A11 Get druggable targets OG5_126554 All targets in OG5_126554
Echinococcus granulosus 3 hydroxyacyl coenzyme A dehydrogenase type 2 Get druggable targets OG5_129031 All targets in OG5_129031
Loa Loa (eye worm) cytochrome P450 family protein Get druggable targets OG5_126554 All targets in OG5_126554
Cryptosporidium parvum scully CG7113-PA, putative Get druggable targets OG5_129031 All targets in OG5_129031
Candida albicans similar to C.maltosa N-alkane inducible cytochrome P-450, ALK8 CYP52A11 Get druggable targets OG5_126554 All targets in OG5_126554
Echinococcus multilocularis 3 hydroxyacyl coenzyme A dehydrogenase type 2 Get druggable targets OG5_129031 All targets in OG5_129031
Leishmania braziliensis 3-oxoacyl-(acyl-carrier protein) reductase, putative Get druggable targets OG5_129031 All targets in OG5_129031
Loa Loa (eye worm) cytochrome P450 family protein Get druggable targets OG5_126554 All targets in OG5_126554
Trypanosoma brucei gambiense cytochrome P450, putative Get druggable targets OG5_126554 All targets in OG5_126554
Candida albicans closely related to C.maltosa N-alkane-inducible cytochrome P-450, alkane hydroxylating monooxygenase CYP52A3-b aka P450Alk1A (BA Get druggable targets OG5_126554 All targets in OG5_126554
Brugia malayi hypothetical protein Get druggable targets OG5_131074 All targets in OG5_131074
Brugia malayi Cytochrome P450 family protein Get druggable targets OG5_126554 All targets in OG5_126554
Brugia malayi Cytochrome P450 family protein Get druggable targets OG5_126554 All targets in OG5_126554
Loa Loa (eye worm) 3-hydroxyacyl-CoA dehydrogenase type II Get druggable targets OG5_129031 All targets in OG5_129031
Schistosoma japonicum ko:K00022 3-hydroxyacyl-CoA dehydrogenase [EC1.1.1.35], putative Get druggable targets OG5_129031 All targets in OG5_129031
Brugia malayi Cytochrome P450 family protein Get druggable targets OG5_126582 All targets in OG5_126582
Schistosoma mansoni 3-hydroxyacyl-CoA dehydrogenase Get druggable targets OG5_129031 All targets in OG5_129031
Brugia malayi 3-hydroxyacyl-CoA dehydrogenase type II Get druggable targets OG5_129031 All targets in OG5_129031
Leishmania mexicana cytochrome p450-like protein Get druggable targets OG5_126554 All targets in OG5_126554
Mycobacterium ulcerans short-chain type dehydrogenase/reductase Get druggable targets OG5_129031 All targets in OG5_129031
Trypanosoma congolense cytochrome P450, putative Get druggable targets OG5_126554 All targets in OG5_126554
Leishmania major cytochrome p450-like protein Get druggable targets OG5_126554 All targets in OG5_126554
Leishmania infantum cytochrome p450-like protein Get druggable targets OG5_126554 All targets in OG5_126554
Trypanosoma cruzi cytochrome P450, putative Get druggable targets OG5_126554 All targets in OG5_126554
Loa Loa (eye worm) cytochrome P450 family protein Get druggable targets OG5_126582 All targets in OG5_126582
Brugia malayi hypoxia-induced factor 1 Get druggable targets OG5_131074 All targets in OG5_131074
Mycobacterium ulcerans cytochrome P450 185A4 Cyp185A4 Get druggable targets OG5_126554 All targets in OG5_126554
Candida albicans cytochrome P450 56 Get druggable targets OG5_126554 All targets in OG5_126554
Leishmania major 3-oxoacyl-(acyl-carrier protein) reductase, putative Get druggable targets OG5_129031 All targets in OG5_129031
Mycobacterium ulcerans short-chain type dehydrogenase/reductase Get druggable targets OG5_129031 All targets in OG5_129031
Leishmania donovani 3-oxoacyl-(acyl-carrier protein) reductase, putative Get druggable targets OG5_129031 All targets in OG5_129031
By sequence similarity to non orthologous known druggable targets
Species Potential target Known druggable target Length Alignment span Identity
Mycobacterium tuberculosis Probable cytochrome P450 136 Cyp136 cytochrome P450, family 2, subfamily C, polypeptide 9 490 aa 441 aa 21.8 %
Plasmodium falciparum 3-oxoacyl-[acyl-carrier-protein] reductase hydroxysteroid (17-beta) dehydrogenase 10 252 aa 251 aa 24.7 %
Brugia malayi cytochrome P450 cytochrome P450, family 2, subfamily D, polypeptide 6 497 aa 425 aa 32.0 %
Leishmania major cytochrome p450-like protein cytochrome P450, family 2, subfamily C, polypeptide 19 490 aa 411 aa 23.1 %
Echinococcus granulosus arachidonate 5 lipoxygenase arachidonate 15-lipoxygenase 662 aa 590 aa 23.9 %
Brugia malayi cytochrome P450 cytochrome P450, family 3, subfamily A, polypeptide 4 502 aa 492 aa 24.2 %
Obtained from network model

Ranking Plot

Putative Targets List

Species Potential target Raw Global Species
Plasmodium vivax cyclic nucleotide phosphodiesterase, putative 0.0439 0.0463 0.3309
Trichomonas vaginalis cGMP-inhibited 3,5-cyclic phosphodiesterase, putative 0.1528 0.1975 0.3508
Trichomonas vaginalis high-affinity cGMP-specific 3,5-cyclic phosphodiesterase, putative 0.3013 0.4037 0.7254
Echinococcus granulosus cAMP and cAMP inhibited cGMP 3'5' cyclic 0.1731 0.2256 1
Trichomonas vaginalis rod cGMP-specific 3,5-cyclic phosphodiesterase, putative 0.1528 0.1975 0.3508
Toxoplasma gondii 3'5'-cyclic nucleotide phosphodiesterase domain-containing protein 0.0439 0.0463 0.3175
Trichomonas vaginalis cAMP and cAMP-inhibited cGMP 3,5-cyclic phosphodiesterase, putative 0.0439 0.0463 0.0762
Trypanosoma brucei cAMP-specific phosphodiesterase 0.1528 0.1975 0.51
Trichomonas vaginalis cAMP and cAMP-inhibited cGMP 3,5-cyclic phosphodiesterase, putative 0.0478 0.0517 0.086
Schistosoma mansoni camp-specific 35-cyclic phosphodiesterase 0.0439 0.0463 0.0421
Trichomonas vaginalis cGMP-dependent 3,5-cyclic phosphodiesterase, putative 0.0439 0.0463 0.0762
Trichomonas vaginalis cAMP-specific phosphodiesterase, putative 0.1528 0.1975 0.3508
Trichomonas vaginalis high-affinity cGMP-specific 3,5-cyclic phosphodiesterase, putative 0.1528 0.1975 0.3508
Toxoplasma gondii 3'5'-cyclic nucleotide phosphodiesterase domain-containing protein 0.0439 0.0463 0.3175
Echinococcus granulosus calcium:calmodulin dependent 3'5' cyclic 0.0439 0.0463 0.1896
Toxoplasma gondii 3'5'-cyclic nucleotide phosphodiesterase domain-containing protein 0.0439 0.0463 0.3175
Schistosoma mansoni memapsin-2 (A01 family) 0.3417 0.4596 0.4573
Plasmodium falciparum cGMP-specific phosphodiesterase 0.0439 0.0463 0.3309
Trypanosoma brucei GAF domain/TIP41-like family, putative 0.2574 0.3427 1
Loa Loa (eye worm) hypothetical protein 0.7309 1 1
Mycobacterium tuberculosis Two component sensor histidine kinase DevS 0.3624 0.4884 1
Mycobacterium leprae conserved hypothetical protein 0.105 0.1311 0.5
Trichomonas vaginalis calcium/calmodulin-dependent 3,5-cyclic nucleotide phosphodiesterase, putative 0.4102 0.5548 1
Loa Loa (eye worm) hypothetical protein 0.0137 0.0044 0.0044
Trichomonas vaginalis conserved hypothetical protein 0.0439 0.0463 0.0762
Trichomonas vaginalis conserved hypothetical protein 0.1089 0.1365 0.24
Toxoplasma gondii 3'5'-cyclic nucleotide phosphodiesterase domain-containing protein 0.0439 0.0463 0.3175
Trichomonas vaginalis cyclic nucleotide phosphodiesterase, putative 0.1528 0.1975 0.3508
Toxoplasma gondii 3'5'-cyclic nucleotide phosphodiesterase domain-containing protein 0.0439 0.0463 0.3175
Trichomonas vaginalis cone cGMP-specific 3,5-cyclic phosphodiesterase, putative 0.1528 0.1975 0.3508
Trichomonas vaginalis high-affinity cGMP-specific 3,5-cyclic phosphodiesterase, putative 0.1528 0.1975 0.3508
Trichomonas vaginalis conserved hypothetical protein 0.4102 0.5548 1
Echinococcus multilocularis dual 3',5' cyclic AMP and GMP phosphodiesterase 0.1528 0.1975 0.8728
Trichomonas vaginalis high-affinity cGMP-specific 3,5-cyclic phosphodiesterase, putative 0.1528 0.1975 0.3508
Trichomonas vaginalis cGMP-dependent 3,5-cyclic phosphodiesterase, putative 0.1528 0.1975 0.3508
Trichomonas vaginalis cyclic nucleotide phosphodiesterase, putative 0.4102 0.5548 1
Toxoplasma gondii 3'5'-cyclic nucleotide phosphodiesterase domain-containing protein 0.0439 0.0463 0.3175
Toxoplasma gondii hypothetical protein 0.105 0.1311 0.9593
Echinococcus multilocularis calcium:calmodulin dependent 3',5' cyclic 0.0439 0.0463 0.1896
Trichomonas vaginalis cAMP/cGMP cyclic nucleotide phosphodiesterase, putative 0.1528 0.1975 0.3508
Plasmodium falciparum phosphodiesterase delta, putative 0.0439 0.0463 0.3309
Loa Loa (eye worm) hypothetical protein 0.0545 0.061 0.061
Echinococcus granulosus calcium:calmodulin dependent 3'5' cyclic 0.0439 0.0463 0.1896
Trichomonas vaginalis calcium/calmodulin-dependent 3,5-cyclic nucleotide phosphodiesterase, putative 0.1528 0.1975 0.3508
Schistosoma mansoni camp-specific 35-cyclic phosphodiesterase 0.0439 0.0463 0.0421
Toxoplasma gondii 3'5'-cyclic nucleotide phosphodiesterase domain-containing protein 0.0439 0.0463 0.3175
Brugia malayi Probable 3',5'-cyclic phosphodiesterase T04D3.3, putative 0.0439 0.0463 0.0421
Giardia lamblia hypothetical protein 0.0439 0.0463 0.5
Schistosoma mansoni camp/cgmp cyclic nucleotide phosphodiesterase 0.1528 0.1975 0.1939
Echinococcus multilocularis high affinity cAMP specific 3',5' cyclic 0.0867 0.1058 0.4583
Loa Loa (eye worm) calcium/calmodulin-stimulated cyclic nucleotide phosphodiesterase 0.0545 0.061 0.061
Trichomonas vaginalis calcium/calmodulin-dependent 3',5'-cyclic nucleotide phosphodiesterase, putative 0.0439 0.0463 0.0762
Trichomonas vaginalis cyclic nucleotide phosphodiesterase, putative 0.0439 0.0463 0.0762
Giardia lamblia CAMP-specific 3,5-cyclic phosphodiesterase 4B 0.0439 0.0463 0.5
Trichomonas vaginalis conserved hypothetical protein 0.105 0.1311 0.2302
Toxoplasma gondii hypothetical protein 0.105 0.1311 0.9593
Plasmodium vivax hypothetical protein, conserved 0.105 0.1311 1
Trichomonas vaginalis conserved hypothetical protein 0.1089 0.1365 0.24
Trichomonas vaginalis high-affinity cGMP-specific 3,5-cyclic phosphodiesterase, putative 0.0439 0.0463 0.0762
Toxoplasma gondii 3'5'-cyclic nucleotide phosphodiesterase domain-containing protein 0.0439 0.0463 0.3175
Trichomonas vaginalis rod cGMP-specific 3,5-cyclic phosphodiesterase, putative 0.4102 0.5548 1
Schistosoma mansoni high-affinity cgmp-specific 35-cyclic phosphodiesterase 0.0439 0.0463 0.0421
Toxoplasma gondii hypothetical protein 0.1089 0.1365 1
Schistosoma mansoni cgmp-dependent 35-cyclic phosphodiesterase 0.7309 1 1
Toxoplasma gondii GAF domain-containing protein 0.105 0.1311 0.9593
Trichomonas vaginalis calcium/calmodulin-dependent 3,5-cyclic nucleotide phosphodiesterase, putative 0.1528 0.1975 0.3508
Trichomonas vaginalis cGMP-specific 3,5-cyclic phosphodiesterase, putative 0.1528 0.1975 0.3508
Trypanosoma cruzi cAMP specific phosphodiesterase, putative 0.1528 0.1975 0.51
Loa Loa (eye worm) hypothetical protein 0.0242 0.0189 0.0189
Trichomonas vaginalis cGMP-specific 3,5-cyclic phosphodiesterase, putative 0.1528 0.1975 0.3508
Plasmodium falciparum GAF domain-related protein, putative 0.105 0.1311 1
Trichomonas vaginalis cAMP-specific phosphodiesterase, putative 0.1528 0.1975 0.3508
Echinococcus granulosus high affinity cAMP specific 3'5' cyclic 0.0867 0.1058 0.4583
Trichomonas vaginalis cone cGMP-specific 3,5-cyclic phosphodiesterase, putative 0.1528 0.1975 0.3508
Echinococcus multilocularis cAMP and cAMP inhibited cGMP 3',5' cyclic 0.1731 0.2256 1
Loa Loa (eye worm) aspartic protease BmAsp-1 0.0137 0.0044 0.0044
Trichomonas vaginalis cAMP-specific 3,5-cyclic phosphodiesterase, putative 0.1528 0.1975 0.3508
Brugia malayi 3'5'-cyclic nucleotide phosphodiesterase family protein 0.0439 0.0463 0.0421
Trichomonas vaginalis cAMP-specific phosphodiesterase, putative 0.0478 0.0517 0.086
Loa Loa (eye worm) hypothetical protein 0.0137 0.0044 0.0044
Toxoplasma gondii 3'5'-cyclic nucleotide phosphodiesterase domain-containing protein 0.0439 0.0463 0.3175
Echinococcus multilocularis high affinity cgmp specific 3' 5' cyclic 0.0563 0.0635 0.267
Trichomonas vaginalis high-affinity cGMP-specific 3,5-cyclic phosphodiesterase, putative 0.1528 0.1975 0.3508
Toxoplasma gondii 3'5'-cyclic nucleotide phosphodiesterase domain-containing protein 0.0439 0.0463 0.3175
Plasmodium falciparum phosphodiesterase gamma, putative 0.0439 0.0463 0.3309
Loa Loa (eye worm) aspartyl protease 6 0.0137 0.0044 0.0044
Trichomonas vaginalis rod cGMP-specific 3,5-cyclic phosphodiesterase, putative 0.1528 0.1975 0.3508
Loa Loa (eye worm) hypothetical protein 0.0439 0.0463 0.0463
Schistosoma mansoni camp-specific 35-cyclic phosphodiesterase 0.0439 0.0463 0.0421
Trypanosoma brucei cAMP-specific phosphodiesterase 0.1528 0.1975 0.51
Echinococcus granulosus high affinity cgmp specific 3' 5' cyclic 0.0563 0.0635 0.267
Trichomonas vaginalis calcium/calmodulin-dependent 3,5-cyclic nucleotide phosphodiesterase, putative 0.1489 0.1921 0.341
Echinococcus multilocularis cAMP specific 3',5' cyclic phosphodiesterase 0.0439 0.0463 0.1896
Brugia malayi Probable 3',5'-cyclic phosphodiesterase C32E12.2, putative 0.1731 0.2256 0.2222
Mycobacterium ulcerans two component sensor histidine kinase DevS 0.3624 0.4884 1
Echinococcus multilocularis calcium:calmodulin dependent 3',5' cyclic 0.0439 0.0463 0.1896
Loa Loa (eye worm) hypoxia-induced factor 1 0.0182 0.0106 0.0106
Trichomonas vaginalis calcium/calmodulin-dependent 3,5-cyclic nucleotide phosphodiesterase, putative 0.1528 0.1975 0.3508
Trypanosoma cruzi GAF domain/TIP41-like family, putative 0.2574 0.3427 1
Toxoplasma gondii 3'5'-cyclic nucleotide phosphodiesterase domain-containing protein 0.0439 0.0463 0.3175
Trypanosoma cruzi cAMP specific phosphodiesterase, putative 0.1528 0.1975 0.51
Giardia lamblia Hypothetical protein 0.0439 0.0463 0.5
Brugia malayi Probable 3',5'-cyclic phosphodiesterase R153.1, putative 0.0439 0.0463 0.0421
Trichomonas vaginalis cyclic nucleotide phosphodiesterase, putative 0.1528 0.1975 0.3508
Trichomonas vaginalis high-affinity cGMP-specific 3,5-cyclic phosphodiesterase, putative 0.1489 0.1921 0.341
Brugia malayi hypoxia-induced factor 1 0.0182 0.0106 0.0062
Plasmodium falciparum 3',5'-cyclic nucleotide phosphodiesterase, putative 0.0563 0.0635 0.4662
Schistosoma mansoni high-affinity cgmp-specific 35-cyclic phosphodiesterase 0.0563 0.0635 0.0593
Plasmodium vivax 3',5'-cyclic nucleotide phosphodiesterase, putative 0.0439 0.0463 0.3309
Schistosoma mansoni calcium/calmodulin-dependent 35-cyclic nucleotide phosphodiesterase 0.0439 0.0463 0.0421
Schistosoma mansoni high-affinity cgmp-specific 35-cyclic phosphodiesterase 0.0439 0.0463 0.0421
Loa Loa (eye worm) hypothetical protein 0.0439 0.0463 0.0463
Brugia malayi 3'5'-cyclic nucleotide phosphodiesterase family protein 0.0545 0.061 0.0569
Toxoplasma gondii 3'5'-cyclic nucleotide phosphodiesterase domain-containing protein 0.0439 0.0463 0.3175
Trichomonas vaginalis cGMP-specific 3,5-cyclic phosphodiesterase, putative 0.1528 0.1975 0.3508
Toxoplasma gondii 3'5'-cyclic nucleotide phosphodiesterase domain-containing protein 0.0563 0.0635 0.4472
Loa Loa (eye worm) hypothetical protein 0.0137 0.0044 0.0044
Loa Loa (eye worm) hypothetical protein 0.1292 0.1646 0.1646
Loa Loa (eye worm) hypothetical protein 0.0197 0.0127 0.0127
Trichomonas vaginalis cyclic nucleotide phosphodiesterase, putative 0.0439 0.0463 0.0762
Trypanosoma cruzi cAMP specific phosphodiesterase, putative 0.0478 0.0517 0.0182
Trichomonas vaginalis conserved hypothetical protein 0.0439 0.0463 0.0762
Leishmania major hypothetical protein, conserved 0.2574 0.3427 1
Toxoplasma gondii 3'5'-cyclic nucleotide phosphodiesterase domain-containing protein 0.0439 0.0463 0.3175
Trichomonas vaginalis conserved hypothetical protein 0.1089 0.1365 0.24
Plasmodium falciparum 3',5'-cyclic nucleotide phosphodiesterase, putative 0.0439 0.0463 0.3309
Echinococcus granulosus dual 3'5' cyclic AMP and GMP phosphodiesterase 0.1528 0.1975 0.8728
Trichomonas vaginalis cAMP-specific 3,5-cyclic phosphodiesterase, putative 0.1528 0.1975 0.3508
Toxoplasma gondii 3'5'-cyclic nucleotide phosphodiesterase domain-containing protein 0.0439 0.0463 0.3175
Mycobacterium tuberculosis Conserved hypothetical protein 0.2574 0.3427 0.5921
Echinococcus multilocularis cAMP specific 3',5' cyclic phosphodiesterase 0.0439 0.0463 0.1896
Trichomonas vaginalis calcium/calmodulin-dependent 3,5-cyclic nucleotide phosphodiesterase, putative 0.0439 0.0463 0.0762
Plasmodium vivax phosphodiesterase gamma, putative 0.0439 0.0463 0.3309
Trypanosoma cruzi GAF domain/TIP41-like family, putative 0.2574 0.3427 1
Trypanosoma cruzi cAMP specific phosphodiesterase, putative 0.1528 0.1975 0.51
Toxoplasma gondii 3'5'-cyclic nucleotide phosphodiesterase domain-containing protein 0.0439 0.0463 0.3175
Echinococcus granulosus cAMP specific 3'5' cyclic phosphodiesterase 0.0439 0.0463 0.1896
Toxoplasma gondii 3'5'-cyclic nucleotide phosphodiesterase domain-containing protein 0.0439 0.0463 0.3175
Loa Loa (eye worm) aspartic protease BmAsp-2 0.0137 0.0044 0.0044
Brugia malayi hypothetical protein 0.0197 0.0127 0.0083
Trichomonas vaginalis cGMP-inhibited 3,5-cyclic phosphodiesterase, putative 0.0439 0.0463 0.0762
Trichomonas vaginalis cGMP-dependent 3,5-cyclic phosphodiesterase, putative 0.1528 0.1975 0.3508
Plasmodium falciparum cGMP-specific phosphodiesterase 0.0439 0.0463 0.3309
Toxoplasma gondii 3'5'-cyclic nucleotide phosphodiesterase domain-containing protein 0.0439 0.0463 0.3175
Trichomonas vaginalis cGMP-dependent 3,5-cyclic phosphodiesterase, putative 0.1489 0.1921 0.341
Schistosoma mansoni camp-specific cyclic nucleotide phosphodiesterase 0.0545 0.061 0.0569
Onchocerca volvulus 0.0137 0.0044 0.5
Trichomonas vaginalis calcium/calmodulin-dependent 3,5-cyclic nucleotide phosphodiesterase, putative 0.1528 0.1975 0.3508
Schistosoma mansoni camp-specific 35-cyclic phosphodiesterase 0.0439 0.0463 0.0421
Loa Loa (eye worm) PDE1B protein 0.0439 0.0463 0.0463
Trichomonas vaginalis high-affinity cGMP-specific 3,5-cyclic phosphodiesterase, putative 0.3013 0.4037 0.7254
Plasmodium vivax 3',5'-cyclic nucleotide phosphodiesterase, putative 0.0439 0.0463 0.3309
Echinococcus granulosus cAMP specific 3'5' cyclic phosphodiesterase 0.0439 0.0463 0.1896
Onchocerca volvulus 0.0137 0.0044 0.5

Activities

Activity type Activity value Assay description Source Reference
AC50 (functional) PUBCHEM_BIOASSAY: Cytochrome panel assay with activity outcomes. (Class of assay: other) Panel member name: p450-cyp1a2 Compounds with AC50 equal or less than 10 uM are considered active ChEMBL. No reference
AC50 (functional) = 1.258925412 uM PUBCHEM_BIOASSAY: Cytochrome panel assay with activity outcomes. (Class of assay: other) Panel member name: p450-cyp3a4 Compounds with AC50 equal or less than 10 uM are considered active ChEMBL. No reference
AC50 (functional) = 2.511886432 uM PUBCHEM_BIOASSAY: Cytochrome panel assay with activity outcomes. (Class of assay: other) Panel member name: p450-cyp2c19 Compounds with AC50 equal or less than 10 uM are considered active ChEMBL. No reference
AC50 (functional) = 3.16227766 uM PUBCHEM_BIOASSAY: Cytochrome panel assay with activity outcomes. (Class of assay: other) Panel member name: p450-cyp2d6 Compounds with AC50 equal or less than 10 uM are considered active ChEMBL. No reference
AC50 (functional) = 3.981071706 uM PUBCHEM_BIOASSAY: Cytochrome panel assay with activity outcomes. (Class of assay: other) Panel member name: p450-cyp2c9 Compounds with AC50 equal or less than 10 uM are considered active ChEMBL. No reference
Potency (ADMET) = 1.2589 um PUBCHEM_BIOASSAY: qHTS Assay for Activators of Cytochrome P450 3A4. (Class of assay: confirmatory) [Related pubchem assays: 410 ] ChEMBL. No reference
Potency (ADMET) = 1.2589 um PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors and Substrates of Cytochrome P450 3A4. (Class of assay: confirmatory) [Related pubchem assays: 410 ] ChEMBL. No reference
Potency (functional) = 1.9953 um PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of 15-hLO (15-human lipoxygenase). (Class of assay: confirmatory) ChEMBL. No reference
Potency (ADMET) = 2.5119 um PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors and Substrates of Cytochrome P450 2C19. (Class of assay: confirmatory) [Related pubchem assays: 410 ] ChEMBL. No reference
Potency (functional) = 2.5119 um PUBCHEM_BIOASSAY: qHTS Assay for Identification of Small Molecule Agonists for Hypoxia Response Element Signaling Pathway. (Class of assay: confirmatory) [Related pubchem assays: 915 ] ChEMBL. No reference
Potency (functional) = 2.5119 um PUBCHEM_BIOASSAY: qHTS Assay for Identification of Small Molecule Antagonists for Hypoxia Response Element Signaling Pathway. (Class of assay: confirmatory) [Related pubchem assays: 914 ] ChEMBL. No reference
Potency (ADMET) = 3.1623 um PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors and Substrates of Cytochrome P450 2D6. (Class of assay: confirmatory) [Related pubchem assays: 410 ] ChEMBL. No reference
Potency (ADMET) = 3.9811 um PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors and Substrates of Cytochrome P450 2C9. (Class of assay: confirmatory) [Related pubchem assays: 885, 884, 410 ] ChEMBL. No reference
Potency (functional) = 7.9433 um PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of HSD17B4, hydroxysteroid (17-beta) dehydrogenase 4. (Class of assay: confirmatory) ChEMBL. No reference

Phenotypes

Whole-cell/tissue/organism interactions

We have no records of whole-cell/tissue assays done with this compound What does this mean?

Many chemical entities in TDR Targets come from high-throughput screenings with whole cells or tissue samples, and not all assayed compounds have been tested against a single a single target protein, probably because they get ruled out during screening process. Even if these compounds may have not been of interest in the original screening, they may come as interesting leads for other screening assays. Furthermore, we may be able to propose drug-target associations using chemical similarities and network patterns.

Annotated phenotypes:

We have no manually annotated phenotypes for this drug. What does this mean? / Care to help?
In TDR Targets, information about phenotypes that are caused by drugs, or by genetic manipulation of cells (e.g. gene knockouts or knockdowns) is manually curated from the literature. These descriptions help to describe the potential of the target for drug development. If no information is available for this gene or if the information is incomplete, this may mean that i) the papers containing this information either appeared after the curation effort for this organism was carried out or they were inadvertently missed by curators; or that ii) the curation effort for this organism has not yet started.
 
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External resources for this compound

Bibliographic References

No literature references available for this target.

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