Detailed information for compound 1513677

Basic information

Technical information
  • TDR Targets ID: 1513677
  • Name: methyl 1-[(4-methoxyphenyl)-(3,4,5-trimethoxy phenyl)methyl]-5-oxopyrrolidine-2-carboxylate
  • MW: 429.463 | Formula: C23H27NO7
  • H donors: 0 H acceptors: 2 LogP: 2.82 Rotable bonds: 9
    Rule of 5 violations (Lipinski): 1
  • SMILES: COc1ccc(cc1)C(N1C(=O)CCC1C(=O)OC)c1cc(OC)c(c(c1)OC)OC
  • InChi: 1S/C23H27NO7/c1-27-16-8-6-14(7-9-16)21(24-17(23(26)31-5)10-11-20(24)25)15-12-18(28-2)22(30-4)19(13-15)29-3/h6-9,12-13,17,21H,10-11H2,1-5H3
  • InChiKey: QAKWKFBDSZKEDA-UHFFFAOYSA-N  


Substructure search Similarity search

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Synonyms

  • methyl 1-[(4-methoxyphenyl)-(3,4,5-trimethoxyphenyl)methyl]-5-oxo-pyrrolidine-2-carboxylate
  • 1-[(4-methoxyphenyl)-(3,4,5-trimethoxyphenyl)methyl]-5-oxo-2-pyrrolidinecarboxylic acid methyl ester
  • 5-keto-1-[(4-methoxyphenyl)-(3,4,5-trimethoxyphenyl)methyl]pyrrolidine-2-carboxylic acid methyl ester
  • NCI60_026082
  • 2-Pyrrolidinecarboxlic acid, 1-[.alpha.-(4-methoxyphenyl)-.alpha.- (3,4,5-trimethoxyphenyl)methyl]-5-oxo-, methyl ester
  • NSC673622
  • AIDS036702
  • Proline, 1-[(4-methoxyphenyl)(3,4,5-trimethoxyphenyl)methyl]-5-oxo-, methyl ester
  • AIDS-036702

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Homo sapiens nuclear factor, erythroid 2-like 2 Starlite/ChEMBL No references
Homo sapiens isocitrate dehydrogenase 1 (NADP+), soluble Starlite/ChEMBL No references
Homo sapiens ataxin 2 Starlite/ChEMBL No references
Homo sapiens glucagon-like peptide 1 receptor Starlite/ChEMBL No references
Homo sapiens geminin, DNA replication inhibitor Starlite/ChEMBL No references
Homo sapiens apolipoprotein B mRNA editing enzyme, catalytic polypeptide-like 3D Starlite/ChEMBL No references
Homo sapiens SMAD family member 2 Starlite/ChEMBL No references
Homo sapiens apolipoprotein B mRNA editing enzyme, catalytic polypeptide-like 3G Starlite/ChEMBL No references

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Trypanosoma brucei isocitrate dehydrogenase [NADP], mitochondrial precursor, putative Get druggable targets OG5_127057 All targets in OG5_127057
Candida albicans cytosolic NADP-specific isocitrate dehydrogenase. Get druggable targets OG5_127057 All targets in OG5_127057
Toxoplasma gondii isocitrate dehydrogenase Get druggable targets OG5_127057 All targets in OG5_127057
Trypanosoma cruzi isocitrate dehydrogenase [NADP], mitochondrial precursor, putative Get druggable targets OG5_127057 All targets in OG5_127057
Echinococcus multilocularis NADP dependent isocitrate dehydrogenase Get druggable targets OG5_127057 All targets in OG5_127057
Trypanosoma brucei gambiense isocitrate dehydrogenase [NADP], mitochondrial precursor, putative Get druggable targets OG5_127057 All targets in OG5_127057
Candida albicans Mitochondrial NADP-specific isocitrate dehydrogenase Get druggable targets OG5_127057 All targets in OG5_127057
Echinococcus multilocularis isocitrate dehydrogenase Get druggable targets OG5_127057 All targets in OG5_127057
Candida albicans C terminus of cytosolic NADP-specific isocitrate dehydrogenase. Get druggable targets OG5_127057 All targets in OG5_127057
Echinococcus granulosus NADP dependent isocitrate dehydrogenase Get druggable targets OG5_127057 All targets in OG5_127057
Brugia malayi isocitrate dehydrogenase Get druggable targets OG5_127057 All targets in OG5_127057
Plasmodium knowlesi isocitrate dehydrogenase [NADP], mitochondrial, putative Get druggable targets OG5_127057 All targets in OG5_127057
Trypanosoma cruzi isocitrate dehydrogenase, putative Get druggable targets OG5_127057 All targets in OG5_127057
Brugia malayi Isocitrate dehydrogenase Get druggable targets OG5_127057 All targets in OG5_127057
Echinococcus multilocularis NADP dependent isocitrate dehydrogenase Get druggable targets OG5_127057 All targets in OG5_127057
Trypanosoma brucei gambiense isocitrate dehydrogenase, putative Get druggable targets OG5_127057 All targets in OG5_127057
Loa Loa (eye worm) transcription factor SMAD2 Get druggable targets OG5_131716 All targets in OG5_131716
Leishmania mexicana isocitrate dehydrogenase [NADP], mitochondrial precursor, putative Get druggable targets OG5_127057 All targets in OG5_127057
Schistosoma japonicum ko:K00031 isocitrate dehydrogenase [EC1.1.1.42], putative Get druggable targets OG5_127057 All targets in OG5_127057
Brugia malayi MH2 domain containing protein Get druggable targets OG5_131716 All targets in OG5_131716
Plasmodium falciparum isocitrate dehydrogenase [NADP], mitochondrial Get druggable targets OG5_127057 All targets in OG5_127057
Schistosoma mansoni NADP-specific isocitrate dehydrogenase Get druggable targets OG5_127057 All targets in OG5_127057
Plasmodium yoelii isocitrate dehydrogenase, NADP-dependent, putative Get druggable targets OG5_127057 All targets in OG5_127057
Candida albicans N terminus of cytosolic NADP-specific isocitrate dehydrogenase. Get druggable targets OG5_127057 All targets in OG5_127057
Toxoplasma gondii isocitrate dehydrogenase Get druggable targets OG5_127057 All targets in OG5_127057
Babesia bovis isocitrate dehydrogenase, NADP-dependent family protein Get druggable targets OG5_127057 All targets in OG5_127057
Neospora caninum hypothetical protein Get druggable targets OG5_127057 All targets in OG5_127057
Loa Loa (eye worm) isocitrate dehydrogenase Get druggable targets OG5_127057 All targets in OG5_127057
Plasmodium yoelii isocitrate dehydrogenase, NADP-dependent Get druggable targets OG5_127057 All targets in OG5_127057
Plasmodium vivax isocitrate dehydrogenase [NADP], mitochondrial, putative Get druggable targets OG5_127057 All targets in OG5_127057
Trypanosoma congolense isocitrate dehydrogenase, putative Get druggable targets OG5_127057 All targets in OG5_127057
Leishmania infantum isocitrate dehydrogenase [NADP], mitochondrial precursor, putative Get druggable targets OG5_127057 All targets in OG5_127057
Leishmania donovani isocitrate dehydrogenase [NADP], mitochondrial precursor, putative Get druggable targets OG5_127057 All targets in OG5_127057
Mycobacterium tuberculosis Probable isocitrate dehydrogenase [NADP] Icd1 (oxalosuccinate decarboxylase) (IDH) (NADP+-specific ICDH) (IDP) Get druggable targets OG5_127057 All targets in OG5_127057
Trypanosoma brucei isocitrate dehydrogenase, putative Get druggable targets OG5_127057 All targets in OG5_127057
Trypanosoma congolense isocitrate dehydrogenase, putative Get druggable targets OG5_127057 All targets in OG5_127057
Echinococcus multilocularis isocitrate dehydrogenase 2 (NADP+) Get druggable targets OG5_127057 All targets in OG5_127057
Candida albicans Mitochondrial NADP-specific isocitrate dehydrogenase Get druggable targets OG5_127057 All targets in OG5_127057
Neospora caninum Isocitrate dehydrogenase-like protein, related Get druggable targets OG5_127057 All targets in OG5_127057
Loa Loa (eye worm) MH2 domain-containing protein Get druggable targets OG5_131716 All targets in OG5_131716
Leishmania braziliensis isocitrate dehydrogenase [NADP], mitochondrial precursor, putative Get druggable targets OG5_127057 All targets in OG5_127057
Theileria parva isocitrate dehydrogenase (NADP+), putative Get druggable targets OG5_127057 All targets in OG5_127057
Echinococcus multilocularis NADP dependent isocitrate dehydrogenase Get druggable targets OG5_127057 All targets in OG5_127057
Plasmodium berghei isocitrate dehydrogenase [NADP], mitochondrial, putative Get druggable targets OG5_127057 All targets in OG5_127057
Leishmania major isocitrate dehydrogenase [NADP], mitochondrial precursor, putative Get druggable targets OG5_127057 All targets in OG5_127057
By sequence similarity to non orthologous known druggable targets
Species Potential target Known druggable target Length Alignment span Identity
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 %
Brugia malayi MH2 domain containing protein SMAD family member 2 467 aa 405 aa 31.6 %
Loa Loa (eye worm) pigment dispersing factor receptor c glucagon-like peptide 1 receptor 463 aa 388 aa 25.8 %
Obtained from network model

Ranking Plot

Putative Targets List

Species Potential target Raw Global Species
Schistosoma mansoni coup transcription factor 0.0043 0.0009 0.0002
Brugia malayi Cytochrome P450 family protein 0.0048 0.0016 0.0008
Brugia malayi 3'5'-cyclic nucleotide phosphodiesterase family protein 0.1203 0.1276 0.127
Schistosoma mansoni RAR-like nuclear receptor 0.0043 0.0009 0.0002
Trypanosoma cruzi hypothetical protein, conserved 0.0372 0.0369 0.8301
Schistosoma mansoni nuclear receptor 2DBD-gamma 0.0043 0.0009 0.0002
Schistosoma mansoni cgmp-dependent 35-cyclic phosphodiesterase 0.0493 0.0501 0.0494
Schistosoma mansoni Tr4/Tr2 (homologue) 0.0043 0.0009 0.0002
Trypanosoma cruzi cAMP specific phosphodiesterase, putative 0.044 0.0444 1
Schistosoma mansoni camp-specific 35-cyclic phosphodiesterase 0.0372 0.0369 0.0362
Entamoeba histolytica hypothetical protein 0.0043 0.001 0.5
Trypanosoma brucei cAMP phosphodiesterase A, putative 0.0372 0.0369 0.8301
Trichomonas vaginalis high-affinity cGMP-specific 3,5-cyclic phosphodiesterase, putative 0.041 0.0411 0.8464
Loa Loa (eye worm) hypothetical protein 0.0831 0.087 0.087
Brugia malayi Nuclear hormone receptor family member nhr-3 0.0043 0.0009 0.0002
Plasmodium vivax cyclic nucleotide phosphodiesterase, putative 0.0372 0.0369 1
Brugia malayi Nuclear hormone receptor-like 1 0.0043 0.0009 0.0002
Trichomonas vaginalis cAMP-specific phosphodiesterase, putative 0.044 0.0444 0.9139
Schistosoma mansoni camp-specific cyclic nucleotide phosphodiesterase 0.0372 0.0369 0.0362
Brugia malayi Ligand-binding domain of nuclear hormone receptor family protein 0.0043 0.0009 0.0002
Trichomonas vaginalis rod cGMP-specific 3,5-cyclic phosphodiesterase, putative 0.044 0.0444 0.9139
Loa Loa (eye worm) nuclear hormone receptor family member nhr-14 0.0043 0.0009 0.0009
Toxoplasma gondii 3'5'-cyclic nucleotide phosphodiesterase domain-containing protein 0.0372 0.0369 0.1222
Trypanosoma cruzi cAMP-specific phosphodiesterase, putative 0.0372 0.0369 0.8301
Leishmania major hypothetical protein, conserved 0.0372 0.0369 0.8301
Loa Loa (eye worm) cyclic AMP specific phosphodiesterase PDE4D5A 0.2427 0.2614 0.2614
Echinococcus granulosus high affinity cAMP specific 3'5' cyclic 0.0372 0.0369 0.036
Echinococcus granulosus high affinity cgmp specific 3' 5' cyclic 0.0372 0.0369 0.036
Schistosoma mansoni hypothetical protein 0.0205 0.0186 0.0179
Loa Loa (eye worm) hypothetical protein 0.3904 0.4227 0.4227
Trichomonas vaginalis cGMP-specific 3,5-cyclic phosphodiesterase, putative 0.044 0.0444 0.9139
Trichomonas vaginalis cGMP-specific 3,5-cyclic phosphodiesterase, putative 0.044 0.0444 0.9139
Brugia malayi nuclear hormone receptor 0.0043 0.0009 0.0002
Toxoplasma gondii 3'5'-cyclic nucleotide phosphodiesterase domain-containing protein 0.0372 0.0369 0.1222
Leishmania major cytochrome p450-like protein 0.0048 0.0016 0.0254
Loa Loa (eye worm) hypothetical protein 0.0365 0.0361 0.0361
Trichomonas vaginalis cyclic nucleotide phosphodiesterase, putative 0.044 0.0444 0.9139
Trichomonas vaginalis cyclic nucleotide phosphodiesterase, putative 0.0479 0.0486 1
Trichomonas vaginalis high-affinity cGMP-specific 3,5-cyclic phosphodiesterase, putative 0.044 0.0444 0.9139
Schistosoma mansoni thyroid hormone receptor 0.0043 0.0009 0.0002
Schistosoma mansoni high-affinity cgmp-specific 35-cyclic phosphodiesterase 0.0372 0.0369 0.0362
Schistosoma mansoni nuclear hormone receptor nor-1/nor-2 0.0043 0.0009 0.0002
Loa Loa (eye worm) MH2 domain-containing protein 0.0144 0.012 0.012
Toxoplasma gondii 3'5'-cyclic nucleotide phosphodiesterase domain-containing protein 0.0372 0.0369 0.1222
Trichomonas vaginalis cAMP/cGMP cyclic nucleotide phosphodiesterase, putative 0.044 0.0444 0.9139
Leishmania major hypothetical protein, conserved 0.0372 0.0369 0.8301
Loa Loa (eye worm) hypothetical protein 0.006 0.0028 0.0028
Brugia malayi Nuclear hormone receptor family member nhr-14 0.0043 0.0009 0.0002
Brugia malayi Probable 3',5'-cyclic phosphodiesterase T04D3.3, putative 0.0372 0.0369 0.0362
Trichomonas vaginalis high-affinity cGMP-specific 3,5-cyclic phosphodiesterase, putative 0.044 0.0444 0.9139
Echinococcus multilocularis dual 3',5' cyclic AMP and GMP phosphodiesterase 0.044 0.0444 0.0435
Schistosoma mansoni transcription factor LCR-F1 0.0043 0.001 0.0003
Trichomonas vaginalis calcium/calmodulin-dependent 3,5-cyclic nucleotide phosphodiesterase, putative 0.044 0.0444 0.9139
Trichomonas vaginalis cAMP and cAMP-inhibited cGMP 3,5-cyclic phosphodiesterase, putative 0.0406 0.0406 0.8372
Loa Loa (eye worm) transcription factor SMAD2 0.0144 0.012 0.012
Brugia malayi 3'5'-cyclic nucleotide phosphodiesterase family protein 0.0372 0.0369 0.0362
Trypanosoma cruzi cyclic nucleotide phosphodiesterase 0.0372 0.0369 0.8301
Echinococcus multilocularis Basic leucine zipper (bZIP) transcription 0.0043 0.001 0.0001
Trichomonas vaginalis cyclic nucleotide phosphodiesterase, putative 0.0372 0.0369 0.7603
Echinococcus multilocularis high affinity cgmp specific 3' 5' cyclic 0.0372 0.0369 0.036
Loa Loa (eye worm) hypothetical protein 0.0372 0.0369 0.0369
Mycobacterium ulcerans two component sensor histidine kinase DevS 0.0072 0.0042 1
Echinococcus granulosus cAMP and cAMP inhibited cGMP 3'5' cyclic 0.0406 0.0406 0.0398
Entamoeba histolytica hypothetical protein 0.0043 0.001 0.5
Echinococcus multilocularis geminin 0.0205 0.0186 0.0177
Schistosoma mansoni camp/cgmp cyclic nucleotide phosphodiesterase 0.044 0.0444 0.0436
Toxoplasma gondii 3'5'-cyclic nucleotide phosphodiesterase domain-containing protein 0.0372 0.0369 0.1222
Brugia malayi Steroid receptor seven-up type 2 0.0043 0.0009 0.0002
Loa Loa (eye worm) hypothetical protein 0.0043 0.0009 0.0009
Toxoplasma gondii 3'5'-cyclic nucleotide phosphodiesterase domain-containing protein 0.0372 0.0369 0.1222
Brugia malayi nuclear receptor NHR-88 0.0043 0.0009 0.0002
Loa Loa (eye worm) PDE1B protein 0.0372 0.0369 0.0369
Trichomonas vaginalis cyclic nucleotide phosphodiesterase, putative 0.044 0.0444 0.9139
Trypanosoma cruzi cAMP specific phosphodiesterase, putative 0.044 0.0444 1
Toxoplasma gondii 3'5'-cyclic nucleotide phosphodiesterase domain-containing protein 0.0372 0.0369 0.1222
Loa Loa (eye worm) calcium/calmodulin-stimulated cyclic nucleotide phosphodiesterase 0.0372 0.0369 0.0369
Loa Loa (eye worm) nuclear hormone receptor family member nhr-40 0.0043 0.0009 0.0009
Trypanosoma brucei cAMP-specific phosphodiesterase 0.044 0.0444 1
Plasmodium vivax 3',5'-cyclic nucleotide phosphodiesterase, putative 0.0372 0.0369 1
Toxoplasma gondii 3'5'-cyclic nucleotide phosphodiesterase domain-containing protein 0.0372 0.0369 0.1222
Loa Loa (eye worm) pigment dispersing factor receptor c 0.006 0.0028 0.0028
Schistosoma mansoni photoreceptor-specific nuclear receptor related 0.0043 0.0009 0.0002
Brugia malayi Nuclear hormone receptor family member nhr-19 0.0043 0.0009 0.0002
Trichomonas vaginalis cone cGMP-specific 3,5-cyclic phosphodiesterase, putative 0.044 0.0444 0.9139
Plasmodium falciparum phosphodiesterase gamma, putative 0.0372 0.0369 1
Plasmodium vivax 3',5'-cyclic nucleotide phosphodiesterase, putative 0.0372 0.0369 1
Schistosoma mansoni hypothetical protein 0.0205 0.0186 0.0179
Trichomonas vaginalis conserved hypothetical protein 0.0068 0.0037 0.0769
Toxoplasma gondii 3'5'-cyclic nucleotide phosphodiesterase domain-containing protein 0.0372 0.0369 0.1222
Echinococcus granulosus cAMP specific 3'5' cyclic phosphodiesterase 0.2427 0.2614 0.2607
Giardia lamblia CAMP-specific 3,5-cyclic phosphodiesterase 4B 0.2799 0.302 1
Trypanosoma brucei cAMP-specific phosphodiesterase 0.044 0.0444 1
Trichomonas vaginalis cAMP-specific phosphodiesterase, putative 0.0406 0.0406 0.8372
Loa Loa (eye worm) hypothetical protein 0.0043 0.0009 0.0009
Schistosoma mansoni calcium/calmodulin-dependent 35-cyclic nucleotide phosphodiesterase 0.0372 0.0369 0.0362
Trypanosoma brucei cytochrome P450, putative 0.0048 0.0016 0.0254
Entamoeba histolytica hypothetical protein 0.0043 0.001 0.5
Schistosoma mansoni retinoid-x-receptor (RXR) 0.0043 0.0009 0.0002
Trichomonas vaginalis cone cGMP-specific 3,5-cyclic phosphodiesterase, putative 0.044 0.0444 0.9139
Trichomonas vaginalis high-affinity cGMP-specific 3,5-cyclic phosphodiesterase, putative 0.044 0.0444 0.9139
Trypanosoma cruzi cAMP phosphodiesterase A, putative 0.0372 0.0369 0.8301
Loa Loa (eye worm) nuclear Hormone Receptor family member 0.0043 0.0009 0.0009
Schistosoma mansoni camp-specific 35-cyclic phosphodiesterase 0.0372 0.0369 0.0362
Brugia malayi ecdysteroid receptor 0.0043 0.0009 0.0002
Plasmodium falciparum phosphodiesterase delta, putative 0.0372 0.0369 1
Trichomonas vaginalis cGMP-dependent 3,5-cyclic phosphodiesterase, putative 0.044 0.0444 0.9139
Echinococcus multilocularis calcium:calmodulin dependent 3',5' cyclic 0.0372 0.0369 0.036
Trichomonas vaginalis cAMP and cAMP-inhibited cGMP 3,5-cyclic phosphodiesterase, putative 0.0372 0.0369 0.7603
Brugia malayi Nuclear hormone receptor family member nhr-41 0.0043 0.0009 0.0002
Trypanosoma cruzi hypothetical protein, conserved 0.0372 0.0369 0.8301
Trichomonas vaginalis calcium/calmodulin-dependent 3',5'-cyclic nucleotide phosphodiesterase, putative 0.0372 0.0369 0.7603
Brugia malayi Nuclear hormone receptor family member nhr-31 0.0043 0.0009 0.0002
Brugia malayi Probable 3',5'-cyclic phosphodiesterase C32E12.2, putative 0.0406 0.0406 0.0399
Schistosoma mansoni high-affinity cgmp-specific 35-cyclic phosphodiesterase 0.0372 0.0369 0.0362
Toxoplasma gondii 3'5'-cyclic nucleotide phosphodiesterase domain-containing protein 0.0372 0.0369 0.1222
Echinococcus granulosus cAMP specific 3'5' cyclic phosphodiesterase 0.2799 0.302 0.3014
Trichomonas vaginalis cGMP-inhibited 3,5-cyclic phosphodiesterase, putative 0.0372 0.0369 0.7603
Leishmania major cAMP phosphodiesterase A, putative;with=GeneDB:LinJ18_V3.1100 0.0372 0.0369 0.8301
Toxoplasma gondii 3'5'-cyclic nucleotide phosphodiesterase domain-containing protein 0.0372 0.0369 0.1222
Toxoplasma gondii 3'5'-cyclic nucleotide phosphodiesterase domain-containing protein 0.0372 0.0369 0.1222
Loa Loa (eye worm) hypothetical protein 0.0043 0.0009 0.0009
Trichomonas vaginalis cGMP-inhibited 3,5-cyclic phosphodiesterase, putative 0.044 0.0444 0.9139
Loa Loa (eye worm) hypothetical protein 0.0041 0.0008 0.0008
Leishmania major cAMP-specific phosphodiesterase, putative 0.0372 0.0369 0.8301
Trypanosoma cruzi hypothetical protein, conserved 0.0372 0.0369 0.8301
Trichomonas vaginalis cGMP-dependent 3,5-cyclic phosphodiesterase, putative 0.044 0.0444 0.9139
Toxoplasma gondii 3'5'-cyclic nucleotide phosphodiesterase domain-containing protein 0.0372 0.0369 0.1222
Trichomonas vaginalis cyclic nucleotide phosphodiesterase, putative 0.0372 0.0369 0.7603
Plasmodium vivax phosphodiesterase gamma, putative 0.0372 0.0369 1
Echinococcus multilocularis calcium:calmodulin dependent 3',5' cyclic 0.0372 0.0369 0.036
Trichomonas vaginalis calcium/calmodulin-dependent 3,5-cyclic nucleotide phosphodiesterase, putative 0.044 0.0444 0.9139
Loa Loa (eye worm) hypothetical protein 0.0043 0.0009 0.0009
Loa Loa (eye worm) hypothetical protein 0.2799 0.302 0.302
Brugia malayi MH2 domain containing protein 0.0144 0.012 0.0113
Brugia malayi Probable 3',5'-cyclic phosphodiesterase R153.1, putative 0.0372 0.0369 0.0362
Schistosoma mansoni nuclear hormone receptor 0.0043 0.0009 0.0002
Brugia malayi hypothetical protein 0.0365 0.0361 0.0354
Echinococcus multilocularis cAMP and cAMP inhibited cGMP 3',5' cyclic 0.0406 0.0406 0.0398
Loa Loa (eye worm) cytochrome P450 family protein 0.0048 0.0016 0.0016
Brugia malayi Nuclear hormone receptor family member nhr-1 0.0043 0.0009 0.0002
Trichomonas vaginalis conserved hypothetical protein 0.0068 0.0037 0.0769
Trypanosoma cruzi hypothetical protein, conserved 0.0372 0.0369 0.8301
Trichomonas vaginalis cGMP-specific 3,5-cyclic phosphodiesterase, putative 0.044 0.0444 0.9139
Echinococcus granulosus calcium:calmodulin dependent 3'5' cyclic 0.0372 0.0369 0.036
Toxoplasma gondii 3'5'-cyclic nucleotide phosphodiesterase domain-containing protein 0.0372 0.0369 0.1222
Loa Loa (eye worm) hypothetical protein 0.0493 0.0501 0.0501
Brugia malayi 3'5'-cyclic nucleotide phosphodiesterase family protein 0.0493 0.0501 0.0494
Plasmodium falciparum cGMP-specific phosphodiesterase 0.0372 0.0369 1
Trichomonas vaginalis calcium/calmodulin-dependent 3,5-cyclic nucleotide phosphodiesterase, putative 0.044 0.0444 0.9139
Echinococcus multilocularis cAMP specific 3',5' cyclic phosphodiesterase 0.2799 0.302 0.3014
Echinococcus granulosus geminin 0.0205 0.0186 0.0177
Echinococcus granulosus calcium:calmodulin dependent 3'5' cyclic 0.0372 0.0369 0.036
Loa Loa (eye worm) nuclear hormone receptor family member nhr-49 0.0043 0.0009 0.0009
Trypanosoma cruzi cAMP specific phosphodiesterase, putative 0.0406 0.0406 0.9151
Trypanosoma cruzi hypothetical protein, conserved 0.0372 0.0369 0.8301
Loa Loa (eye worm) hypothetical protein 0.0043 0.0009 0.0009
Mycobacterium tuberculosis Two component sensor histidine kinase DevS 0.0072 0.0042 1
Trichomonas vaginalis rod cGMP-specific 3,5-cyclic phosphodiesterase, putative 0.0479 0.0486 1
Echinococcus granulosus cAMP specific 3'5' cyclic phosphodiesterase 0.2799 0.302 0.3014
Trichomonas vaginalis high-affinity cGMP-specific 3,5-cyclic phosphodiesterase, putative 0.0406 0.0406 0.837
Brugia malayi Nuclear hormone receptor family member nhr-25 0.0043 0.0009 0.0002
Loa Loa (eye worm) cytochrome P450 family protein 0.0138 0.0113 0.0113
Schistosoma mansoni camp-specific 35-cyclic phosphodiesterase 0.0372 0.0369 0.0362
Plasmodium falciparum 3',5'-cyclic nucleotide phosphodiesterase, putative 0.0372 0.0369 1
Brugia malayi photoreceptor-specific nuclear receptor 0.0043 0.0009 0.0002
Echinococcus multilocularis high affinity cAMP specific 3',5' cyclic 0.0372 0.0369 0.036
Trypanosoma brucei cAMP-specific phosphodiesterase, putative 0.0372 0.0369 0.8301
Trypanosoma brucei 3', 5'-cyclic nucleotide phosphodiesterase, putative 0.0372 0.0369 0.8301
Loa Loa (eye worm) nuclear hormone receptor family member nhr-41 0.0043 0.0009 0.0009
Loa Loa (eye worm) CYP4Cod1 0.0048 0.0016 0.0016
Brugia malayi Probable 3',5'-cyclic phosphodiesterase R153.1, putative 0.2427 0.2614 0.2608
Trypanosoma cruzi hypothetical protein, conserved 0.0372 0.0369 0.8301
Brugia malayi Calcitonin receptor-like protein seb-1 0.006 0.0028 0.0021
Toxoplasma gondii 3'5'-cyclic nucleotide phosphodiesterase domain-containing protein 0.0372 0.0369 0.1222
Schistosoma mansoni camp-specific 35-cyclic phosphodiesterase 0.2799 0.302 0.3015
Loa Loa (eye worm) nuclear hormone receptor family member nhr-1 0.0043 0.0009 0.0009
Echinococcus granulosus dual 3'5' cyclic AMP and GMP phosphodiesterase 0.044 0.0444 0.0435
Echinococcus multilocularis cAMP specific 3',5' cyclic phosphodiesterase 0.2427 0.2614 0.2607
Echinococcus multilocularis cAMP specific 3',5' cyclic phosphodiesterase 0.2799 0.302 0.3014
Brugia malayi Cytochrome P450 family protein 0.0138 0.0113 0.0105
Toxoplasma gondii 3'5'-cyclic nucleotide phosphodiesterase domain-containing protein 0.0372 0.0369 0.1222
Trichomonas vaginalis cAMP-specific phosphodiesterase, putative 0.044 0.0444 0.9139
Plasmodium falciparum 3',5'-cyclic nucleotide phosphodiesterase, putative 0.0372 0.0369 1
Mycobacterium tuberculosis Conserved hypothetical protein 0.0038 0.0005 0.1084
Loa Loa (eye worm) hypothetical protein 0.1203 0.1276 0.1276
Trichomonas vaginalis cAMP-specific 3,5-cyclic phosphodiesterase, putative 0.044 0.0444 0.9139
Trichomonas vaginalis cAMP-specific 3,5-cyclic phosphodiesterase, putative 0.044 0.0444 0.9139
Brugia malayi Cytochrome P450 family protein 0.0048 0.0016 0.0008
Schistosoma mansoni hypothetical protein 0.0043 0.001 0.0003
Brugia malayi Nuclear hormone receptor family member nhr-49 0.0043 0.0009 0.0002
Toxoplasma gondii 3'5'-cyclic nucleotide phosphodiesterase domain-containing protein 0.0372 0.0369 0.1222
Brugia malayi Nuclear hormone receptor family member nhr-25 0.0043 0.0009 0.0002
Trichomonas vaginalis high-affinity cGMP-specific 3,5-cyclic phosphodiesterase, putative 0.0372 0.0369 0.7603
Trichomonas vaginalis high-affinity cGMP-specific 3,5-cyclic phosphodiesterase, putative 0.044 0.0444 0.9139
Brugia malayi Ligand-binding domain of nuclear hormone receptor family protein 0.0043 0.0009 0.0002
Schistosoma mansoni steroid hormone receptor ad4bp 0.0043 0.0009 0.0002
Plasmodium falciparum cGMP-specific phosphodiesterase 0.0372 0.0369 1
Toxoplasma gondii hypothetical protein 0.0068 0.0037 0.0124
Trypanosoma cruzi cAMP phosphodiesterase A, putative 0.0372 0.0369 0.8301
Brugia malayi Nuclear hormone receptor family member nhr-19 0.0043 0.0009 0.0002
Trichomonas vaginalis conserved hypothetical protein 0.0372 0.0369 0.7603
Trypanosoma cruzi cytochrome P450, putative 0.0048 0.0016 0.0254
Trichomonas vaginalis conserved hypothetical protein 0.0479 0.0486 1
Loa Loa (eye worm) hypothetical protein 0.0043 0.0009 0.0009
Brugia malayi hypothetical protein 0.0043 0.001 0.0003
Trichomonas vaginalis calcium/calmodulin-dependent 3,5-cyclic nucleotide phosphodiesterase, putative 0.0406 0.0406 0.837
Trichomonas vaginalis rod cGMP-specific 3,5-cyclic phosphodiesterase, putative 0.044 0.0444 0.9139
Trypanosoma cruzi cytochrome P450, putative 0.0048 0.0016 0.0254
Loa Loa (eye worm) cytochrome P450 family protein 0.0048 0.0016 0.0016
Trichomonas vaginalis calcium/calmodulin-dependent 3,5-cyclic nucleotide phosphodiesterase, putative 0.0479 0.0486 1
Onchocerca volvulus 0.0365 0.0361 1
Trichomonas vaginalis conserved hypothetical protein 0.0372 0.0369 0.7603
Entamoeba histolytica hypothetical protein 0.0043 0.001 0.5
Schistosoma mansoni FTZ-F1 nuclear receptor-like protein 0.0043 0.0009 0.0002
Trichomonas vaginalis cGMP-dependent 3,5-cyclic phosphodiesterase, putative 0.0372 0.0369 0.7603
Loa Loa (eye worm) hypothetical protein 0.0043 0.0009 0.0009
Brugia malayi steroid hormone receptor 0.0043 0.0009 0.0002
Schistosoma mansoni thyroid hormone receptor 0.0043 0.0009 0.0002
Echinococcus granulosus Basic leucine zipper bZIP transcription 0.0043 0.001 0.0001
Trypanosoma brucei hypothetical protein, conserved 0.0372 0.0369 0.8301
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.006 0.0028 0.0021
Schistosoma mansoni retinoic acid receptor RXR 0.0043 0.0009 0.0002
Loa Loa (eye worm) hypothetical protein 0.0043 0.0009 0.0009
Trypanosoma cruzi cAMP specific phosphodiesterase, putative 0.044 0.0444 1
Trichomonas vaginalis calcium/calmodulin-dependent 3,5-cyclic nucleotide phosphodiesterase, putative 0.0372 0.0369 0.7603
Brugia malayi Nuclear hormone receptor family member nhr-40 0.0043 0.0009 0.0002
Loa Loa (eye worm) nuclear hormone receptor family member nhr-31 0.0043 0.0009 0.0009
Trichomonas vaginalis high-affinity cGMP-specific 3,5-cyclic phosphodiesterase, putative 0.041 0.0411 0.8464
Mycobacterium ulcerans cytochrome P450 185A4 Cyp185A4 0.0048 0.0016 0.375
Schistosoma mansoni high-affinity cgmp-specific 35-cyclic phosphodiesterase 0.0372 0.0369 0.0362
Trichomonas vaginalis cGMP-dependent 3,5-cyclic phosphodiesterase, putative 0.0406 0.0406 0.837
Toxoplasma gondii 3'5'-cyclic nucleotide phosphodiesterase domain-containing protein 0.0372 0.0369 0.1222
Trypanosoma brucei 3', 5'-cyclic nucleotide phosphodiesterase, putative 0.0372 0.0369 0.8301
Toxoplasma gondii 3'5'-cyclic nucleotide phosphodiesterase domain-containing protein 0.2799 0.302 1
Trichomonas vaginalis calcium/calmodulin-dependent 3,5-cyclic nucleotide phosphodiesterase, putative 0.044 0.0444 0.9139
Trichomonas vaginalis conserved hypothetical protein 0.0068 0.0037 0.0769
Loa Loa (eye worm) steroid hormone receptor 0.0043 0.0009 0.0009

Activities

Activity type Activity value Assay description Source Reference
GI50 (functional) -6.984 PUBCHEM_BIOASSAY: NCI human tumor cell line growth inhibition assay. Data for the MDA-N Breast cell line. (Class of assay: confirmatory) ChEMBL. No reference
GI50 (functional) -6.61 PUBCHEM_BIOASSAY: NCI human tumor cell line growth inhibition assay. Data for the HL-60(TB) Leukemia cell line. (Class of assay: confirmatory) ChEMBL. No reference
GI50 (functional) -6.598 PUBCHEM_BIOASSAY: NCI human tumor cell line growth inhibition assay. Data for the SK-MEL-5 Melanoma cell line. (Class of assay: confirmatory) ChEMBL. No reference
GI50 (functional) -6.563 PUBCHEM_BIOASSAY: NCI human tumor cell line growth inhibition assay. Data for the SF-539 Central Nervous System cell line. (Class of assay: confirmatory) ChEMBL. No reference
GI50 (functional) -6.514 PUBCHEM_BIOASSAY: NCI human tumor cell line growth inhibition assay. Data for the DU-145 Prostate cell line. (Class of assay: confirmatory) ChEMBL. No reference
GI50 (functional) -6.284 PUBCHEM_BIOASSAY: NCI human tumor cell line growth inhibition assay. Data for the ACHN Renal cell line. (Class of assay: confirmatory) ChEMBL. No reference
GI50 (functional) -6.275 PUBCHEM_BIOASSAY: NCI human tumor cell line growth inhibition assay. Data for the SN12C Renal cell line. (Class of assay: confirmatory) ChEMBL. No reference
GI50 (functional) -6.257 PUBCHEM_BIOASSAY: NCI human tumor cell line growth inhibition assay. Data for the NCI-H23 Non-Small Cell Lung cell line. (Class of assay: confirmatory) ChEMBL. No reference
GI50 (functional) -5.924 PUBCHEM_BIOASSAY: NCI human tumor cell line growth inhibition assay. Data for the UO-31 Renal cell line. (Class of assay: confirmatory) ChEMBL. No reference
GI50 (functional) -4 PUBCHEM_BIOASSAY: NCI human tumor cell line growth inhibition assay. Data for the HOP-92 Non-Small Cell Lung cell line. (Class of assay: confirmatory) ChEMBL. No reference
IC50 (functional) > 67.524 uM PubChem BioAssay. Luminescence-based cell-based high throughput dose response assay for inhibitors of the orphan nuclear receptor subfamily 0, group B, member 1 (DAX1; NR0B1): repression of SF-1 (NR5A1) activated StAR promoter by full-length DAX-1. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 0.5591 uM PubChem BioAssay. qHTS for inhibitors of Vif-A3G interactions: Cherry picks counterscreen. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 0.5623 uM PUBCHEM_BIOASSAY: qHTS for Inhibitors of binding or entry into cells for Lassa Virus. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID463114, AID540249] ChEMBL. No reference
Potency (functional) 0.6273 uM PubChem BioAssay. qHTS for inhibitors of Vif-A3F interactions: Cherry picks. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 0.7308 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) 0.7898 uM PubChem BioAssay. qHTS for inhibitors of Vif-A3F interactions: Cherry picks counterscreen. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 1 uM PubChem BioAssay. qHTS for Inhibitors of Vif-A3G Interactions: qHTS. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 1 uM PubChem BioAssay. qHTS of GLP-1 Receptor Inverse Agonists (Inhibition Mode). (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 1.1582 uM PubChem BioAssay. qHTS for induction of synthetic lethality in tumor cells producing 2HG: qHTS for the HT-1080-NT fibrosarcoma cell line. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 1.2995 uM PubChem BioAssay. A quantitative high throughput screen for small molecules that induce DNA re-replication in MCF 10a normal breast cells. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 1.8888 uM PubChem BioAssay. qHTS for Inhibitors of ATXN expression. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 1.9953 uM PUBCHEM_BIOASSAY: qHTS for Inhibitors of TGF-b. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID588856, AID588860] ChEMBL. No reference
Potency (functional) 5.1735 uM PubChem BioAssay. qHTS for Inhibitors of TGF-b: Confirmation of Cherry Picks. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 5.8048 uM PubChem BioAssay. qHTS for Inhibitors of TGF-b: CCL64 Cells Orthogonal Assay for Cherry Picks. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 14.581 uM PUBCHEM_BIOASSAY: Nrf2 qHTS screen for inhibitors. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID493153, AID493163, AID504648] ChEMBL. No reference
Potency (functional) 100 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
Homo sapiens 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.
 
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

No literature references available for this target.

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