Detailed information for compound 1557037

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 425.564 | Formula: C25H35N3O3
  • H donors: 1 H acceptors: 2 LogP: 3.43 Rotable bonds: 8
    Rule of 5 violations (Lipinski): 1
  • SMILES: CC[C@@H]1CN(C[C@@H](C1)C(=O)NCC1CCOCC1)Cc1nc(oc1C)c1ccccc1
  • InChi: 1S/C25H35N3O3/c1-3-19-13-22(24(29)26-14-20-9-11-30-12-10-20)16-28(15-19)17-23-18(2)31-25(27-23)21-7-5-4-6-8-21/h4-8,19-20,22H,3,9-17H2,1-2H3,(H,26,29)/t19-,22+/m0/s1
  • InChiKey: TZTZUIQXHKAHBD-SIKLNZKXSA-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 phosphodiesterase 8B Starlite/ChEMBL References

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Schistosoma japonicum ko:K01120 3',5'-cyclic-nucleotide phosphodiesterase [EC3.1.4.17], putative Get druggable targets OG5_130653 All targets in OG5_130653
Loa Loa (eye worm) calcium/calmodulin-stimulated cyclic nucleotide phosphodiesterase Get druggable targets OG5_130653 All targets in OG5_130653
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_130653 All targets in OG5_130653
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_130653 All targets in OG5_130653
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_130653 All targets in OG5_130653
Schistosoma japonicum hypothetical protein Get druggable targets OG5_130653 All targets in OG5_130653
Schistosoma japonicum hypothetical protein Get druggable targets OG5_130653 All targets in OG5_130653
Brugia malayi 3'5'-cyclic nucleotide phosphodiesterase family protein Get druggable targets OG5_130653 All targets in OG5_130653
Schistosoma mansoni camp-specific cyclic nucleotide phosphodiesterase Get druggable targets OG5_130653 All targets in OG5_130653
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_130653 All targets in OG5_130653
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
Toxoplasma gondii 3'5'-cyclic nucleotide phosphodiesterase domain-containing protein 0.0009 0.0007 0.0063
Echinococcus multilocularis dual 3',5' cyclic AMP and GMP phosphodiesterase 0.0009 0.0007 0.0007
Echinococcus multilocularis peregrin 0.0029 0.0506 0.0506
Brugia malayi laminin alpha chain 0.0023 0.0368 0.0579
Echinococcus granulosus high affinity cgmp specific 3' 5' cyclic 0.0009 0.0007 0.0007
Echinococcus multilocularis high affinity cgmp specific 3' 5' cyclic 0.0009 0.0007 0.0007
Brugia malayi Bromodomain containing protein 0.0029 0.0506 0.0796
Brugia malayi laminin-like protein K08C7.3 precursor 0.0023 0.0368 0.0579
Loa Loa (eye worm) GTP-binding regulatory protein Gs alpha-S chain 0.0045 0.092 0.1449
Brugia malayi 3'5'-cyclic nucleotide phosphodiesterase family protein 0.0009 0.0007 0.0012
Schistosoma mansoni high-affinity cgmp-specific 35-cyclic phosphodiesterase 0.0009 0.0007 0.0007
Echinococcus multilocularis geminin 0.0176 0.4248 0.4248
Echinococcus multilocularis JmjC domain containing protein 4 0.0009 0.0012 0.0012
Loa Loa (eye worm) jmjC domain-containing protein 0.0036 0.07 0.1102
Plasmodium falciparum conserved Plasmodium membrane protein, unknown function 0.0011 0.0059 0.1035
Schistosoma mansoni mixed-lineage leukemia protein mll 0.0061 0.1327 0.1327
Schistosoma mansoni camp-specific 35-cyclic phosphodiesterase 0.0009 0.0007 0.0007
Echinococcus granulosus cAMP specific 3'5' cyclic phosphodiesterase 0.0009 0.0007 0.0007
Loa Loa (eye worm) hypothetical protein 0.0023 0.0368 0.0579
Loa Loa (eye worm) hypothetical protein 0.0009 0.0007 0.0012
Trypanosoma cruzi JmjC domain, hydroxylase, putative 0.0009 0.0012 1
Plasmodium vivax SET domain protein, putative 0.003 0.0539 1
Echinococcus multilocularis PHD finger protein rhinoceros 0.0029 0.0506 0.0506
Echinococcus granulosus jumonji domain containing 1A 0.0009 0.0012 0.0012
Schistosoma mansoni slit 0.0023 0.0368 0.0368
Toxoplasma gondii 3'5'-cyclic nucleotide phosphodiesterase domain-containing protein 0.0009 0.0007 0.0063
Schistosoma mansoni bromodomain-containing nuclear protein 1 brd1 0.0029 0.0506 0.0506
Schistosoma mansoni survival motor neuron protein 0.0053 0.1118 0.1118
Trypanosoma brucei PHD-zinc-finger like domain containing protein, putative 0.0009 0.0015 1
Loa Loa (eye worm) hypothetical protein 0.0009 0.0012 0.0019
Toxoplasma gondii histone lysine demethylase JMJC1/KDM5D/JARID1D 0.0009 0.0012 0.0105
Schistosoma mansoni jumonji/arid domain-containing protein 0.0036 0.07 0.07
Onchocerca volvulus Alhambra homolog 0.0029 0.0506 0.0885
Schistosoma mansoni cpg binding protein 0.003 0.0536 0.0536
Onchocerca volvulus 0.0233 0.5713 1
Loa Loa (eye worm) hypothetical protein 0.0023 0.0368 0.0579
Trypanosoma brucei PHD-zinc-finger like domain containing protein, putative 0.0009 0.0015 1
Brugia malayi Thrombospondin N-terminal -like domain containing protein 0.0023 0.0368 0.0579
Echinococcus granulosus geminin 0.0176 0.4248 0.4248
Brugia malayi Probable 3',5'-cyclic phosphodiesterase T04D3.3, putative 0.0009 0.0007 0.0012
Echinococcus granulosus JmjC domain containing protein 4 0.0009 0.0012 0.0012
Echinococcus granulosus lysine specific demethylase 5A 0.0036 0.07 0.07
Trypanosoma brucei JmjC domain, hydroxylase, putative 0.0009 0.0012 0.6214
Echinococcus granulosus dual 3'5' cyclic AMP and GMP phosphodiesterase 0.0009 0.0007 0.0007
Schistosoma mansoni chondroitin sulfate proteoglycan-related 0.0023 0.0368 0.0368
Brugia malayi EGF-like domain containing protein 0.0023 0.0368 0.0579
Loa Loa (eye worm) PHD-finger family protein 0.0029 0.0506 0.0796
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0045 0.092 0.092
Toxoplasma gondii 3'5'-cyclic nucleotide phosphodiesterase domain-containing protein 0.0009 0.0007 0.0063
Brugia malayi PHD-finger family protein 0.0029 0.0506 0.0796
Brugia malayi Probable 3',5'-cyclic phosphodiesterase C32E12.2, putative 0.0009 0.0007 0.0012
Brugia malayi F/Y-rich N-terminus family protein 0.0019 0.0262 0.0412
Brugia malayi jmjC domain containing protein 0.0009 0.0012 0.0019
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0045 0.092 0.092
Toxoplasma gondii 3'5'-cyclic nucleotide phosphodiesterase domain-containing protein 0.0009 0.0007 0.0063
Brugia malayi jmjC domain containing protein 0.0009 0.0012 0.0019
Trypanosoma cruzi JmjC domain, hydroxylase, putative 0.0009 0.0012 1
Echinococcus granulosus Transcription factor JmjC domain containing protein 0.0094 0.2163 0.2163
Echinococcus granulosus phd:f box containing protein 0.0009 0.0012 0.0012
Toxoplasma gondii PHD-finger domain-containing protein 0.0029 0.0506 0.4343
Echinococcus multilocularis lysine specific demethylase 5A 0.0035 0.0659 0.0659
Plasmodium falciparum phd finger protein, putative 0.0029 0.0506 1
Loa Loa (eye worm) hypothetical protein 0.0009 0.0007 0.0012
Echinococcus granulosus lysine specific demethylase 6a 0.0009 0.0012 0.0012
Brugia malayi PHD-finger family protein 0.0011 0.0056 0.0088
Echinococcus multilocularis calcium:calmodulin dependent 3',5' cyclic 0.0009 0.0007 0.0007
Toxoplasma gondii 3'5'-cyclic nucleotide phosphodiesterase domain-containing protein 0.0009 0.0007 0.0063
Schistosoma mansoni laminin gamma-3 chain 0.0023 0.0368 0.0368
Toxoplasma gondii histone lysine demethylase JMJD6a 0.0009 0.0012 0.0105
Loa Loa (eye worm) hypothetical protein 0.0178 0.4308 0.6785
Plasmodium vivax JmjC domain containing protein 0.0009 0.0012 0.0092
Brugia malayi N-terminal motif family protein 0.0178 0.4308 0.6785
Brugia malayi jmjC domain containing protein 0.0009 0.0012 0.0019
Toxoplasma gondii 3'5'-cyclic nucleotide phosphodiesterase domain-containing protein 0.0009 0.0007 0.0063
Echinococcus granulosus slit 2 protein 0.0023 0.0368 0.0368
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0045 0.092 0.092
Schistosoma mansoni jumonji domain containing protein 0.0009 0.0012 0.0012
Echinococcus granulosus PHD finger protein rhinoceros 0.0029 0.0506 0.0506
Loa Loa (eye worm) hypothetical protein 0.0011 0.0056 0.0088
Onchocerca volvulus Rap guanine nucleotide exchange factor 1 homolog 0.0178 0.4308 0.7542
Echinococcus multilocularis neurogenic locus notch protein 0.0023 0.0368 0.0368
Echinococcus granulosus 5'partial|histone lysine N methyltransferase SETDB2 0.0028 0.0496 0.0496
Toxoplasma gondii 3'5'-cyclic nucleotide phosphodiesterase domain-containing protein 0.0009 0.0007 0.0063
Giardia lamblia PHD finger protein 15 0.0029 0.0506 1
Echinococcus granulosus cAMP and cAMP inhibited cGMP 3'5' cyclic 0.0009 0.0007 0.0007
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.003 0.0539 0.0539
Toxoplasma gondii 3'5'-cyclic nucleotide phosphodiesterase domain-containing protein 0.0009 0.0007 0.0063
Echinococcus multilocularis Jumonji, AT rich interactive domain 1B 0.0011 0.0053 0.0053
Schistosoma mansoni hypothetical protein 0.0053 0.1118 0.1118
Schistosoma mansoni cell polarity protein 0.0023 0.0368 0.0368
Brugia malayi jmjC domain containing protein 0.0009 0.0012 0.0019
Brugia malayi jmjC domain containing protein 0.0094 0.2163 0.3407
Schistosoma mansoni hypothetical protein 0.0176 0.4248 0.4248
Loa Loa (eye worm) hypothetical protein 0.0023 0.0368 0.0579
Echinococcus granulosus peregrin 0.0029 0.0506 0.0506
Schistosoma mansoni cpg binding protein 0.003 0.0536 0.0536
Leishmania major hypothetical protein, conserved 0.0009 0.0012 1
Schistosoma mansoni calcium/calmodulin-dependent 35-cyclic nucleotide phosphodiesterase 0.0009 0.0007 0.0007
Schistosoma mansoni phd/f-box containing protein 0.0009 0.0012 0.0012
Schistosoma mansoni camp-specific 35-cyclic phosphodiesterase 0.0009 0.0007 0.0007
Loa Loa (eye worm) jmjC domain-containing protein 0.0009 0.0012 0.0019
Loa Loa (eye worm) jmjC domain-containing protein 0.0009 0.0012 0.0019
Echinococcus multilocularis high affinity cAMP specific 3',5' cyclic 0.0009 0.0007 0.0007
Schistosoma mansoni mixed-lineage leukemia protein mll 0.0017 0.0221 0.0221
Schistosoma mansoni camp-specific 35-cyclic phosphodiesterase 0.0009 0.0007 0.0007
Loa Loa (eye worm) CXXC zinc finger family protein 0.0028 0.0495 0.0779
Echinococcus granulosus calcium:calmodulin dependent 3'5' cyclic 0.0009 0.0007 0.0007
Toxoplasma gondii histone lysine methyltransferase SET1 0.0055 0.1164 1
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.003 0.0539 0.0539
Brugia malayi 3'5'-cyclic nucleotide phosphodiesterase family protein 0.0009 0.0007 0.0012
Brugia malayi GTP-binding regulatory protein Gs alpha-S chain, putative 0.0045 0.092 0.1449
Brugia malayi CXXC zinc finger family protein 0.0028 0.0495 0.0779
Loa Loa (eye worm) hypothetical protein 0.0112 0.2631 0.4143
Onchocerca volvulus 0.0053 0.1118 0.1956
Loa Loa (eye worm) hypothetical protein 0.0258 0.635 1
Schistosoma mansoni cpg binding protein 0.0028 0.0495 0.0495
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0045 0.092 0.092
Loa Loa (eye worm) hypothetical protein 0.0049 0.1026 0.1616
Brugia malayi hypothetical protein 0.0258 0.635 1
Onchocerca volvulus 0.003 0.0539 0.0943
Loa Loa (eye worm) abnormal epIthelia family member 0.0023 0.0368 0.0579
Loa Loa (eye worm) hypothetical protein 0.0009 0.0007 0.0012
Loa Loa (eye worm) pre-SET domain-containing protein family protein 0.0205 0.4994 0.7866
Echinococcus multilocularis slit 2 protein 0.0023 0.0368 0.0368
Toxoplasma gondii 3'5'-cyclic nucleotide phosphodiesterase domain-containing protein 0.0009 0.0007 0.0063
Loa Loa (eye worm) histone methyltransferase 0.001 0.0026 0.0042
Schistosoma mansoni hypothetical protein 0.0176 0.4248 0.4248
Echinococcus granulosus calcium:calmodulin dependent 3'5' cyclic 0.0009 0.0007 0.0007
Echinococcus multilocularis survival motor neuron protein 1 0.0258 0.635 0.635
Toxoplasma gondii histone lysine methyltransferase SET/SUV39 0.003 0.0539 0.4627
Schistosoma mansoni camp/cgmp cyclic nucleotide phosphodiesterase 0.0009 0.0007 0.0007
Schistosoma mansoni hypothetical protein 0.0402 1 1
Trichomonas vaginalis set domain proteins, putative 0.0233 0.5713 1
Echinococcus multilocularis histone lysine N methyltransferase MLL3 0.001 0.0026 0.0026
Echinococcus multilocularis calcium:calmodulin dependent 3',5' cyclic 0.0009 0.0007 0.0007
Schistosoma mansoni ubiquitously transcribed sex (X/Y) chromosome tetratricopeptide repeat protein-related 0.0009 0.0012 0.0012
Toxoplasma gondii 3'5'-cyclic nucleotide phosphodiesterase domain-containing protein 0.0009 0.0007 0.0063
Schistosoma mansoni protein phosphatase 2C 0.0009 0.0012 0.0012
Toxoplasma gondii 3'5'-cyclic nucleotide phosphodiesterase domain-containing protein 0.0009 0.0007 0.0063
Schistosoma mansoni cgmp-dependent 35-cyclic phosphodiesterase 0.0009 0.0007 0.0007
Echinococcus granulosus histone lysine N methyltransferase MLL3 0.001 0.0026 0.0026
Echinococcus multilocularis Transcription factor, JmjC domain containing protein 0.0094 0.2163 0.2163
Toxoplasma gondii 3'5'-cyclic nucleotide phosphodiesterase domain-containing protein 0.0009 0.0007 0.0063
Plasmodium falciparum JmjC domain-containing protein, putative 0.0009 0.0012 0.0098
Echinococcus multilocularis lysine specific demethylase 6a 0.0009 0.0012 0.0012
Brugia malayi jmjC domain containing protein 0.0036 0.07 0.1102
Toxoplasma gondii 3'5'-cyclic nucleotide phosphodiesterase domain-containing protein 0.0009 0.0007 0.0063
Schistosoma mansoni camp-specific 35-cyclic phosphodiesterase 0.0009 0.0007 0.0007
Echinococcus granulosus pikachurin 0.0023 0.0368 0.0368
Schistosoma mansoni jumonji domain containing protein 0.0075 0.1673 0.1673
Brugia malayi Pre-SET motif family protein 0.0205 0.4994 0.7866
Loa Loa (eye worm) hypothetical protein 0.0009 0.0012 0.0019
Toxoplasma gondii 3'5'-cyclic nucleotide phosphodiesterase domain-containing protein 0.0009 0.0007 0.0063
Schistosoma mansoni phosphatidylserine receptor 0.0009 0.0012 0.0012
Schistosoma mansoni camp-specific cyclic nucleotide phosphodiesterase 0.0121 0.2861 0.2861
Loa Loa (eye worm) calcium/calmodulin-stimulated cyclic nucleotide phosphodiesterase 0.0121 0.2861 0.4506
Onchocerca volvulus 0.0028 0.0495 0.0866
Brugia malayi AF-10 protein 0.0009 0.0015 0.0024
Loa Loa (eye worm) PDE1B protein 0.0009 0.0007 0.0012
Schistosoma mansoni jumonji/arid domain-containing protein 0.0036 0.07 0.07
Plasmodium vivax hypothetical protein, conserved 0.0029 0.0506 0.9377
Echinococcus multilocularis dnaJ subfamily B 0.0402 1 1
Echinococcus multilocularis cAMP specific 3',5' cyclic phosphodiesterase 0.0009 0.0007 0.0007
Echinococcus granulosus histone lysine methyltransferase setb 0.003 0.0539 0.0539
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0045 0.092 0.092
Echinococcus multilocularis cAMP and cAMP inhibited cGMP 3',5' cyclic 0.0009 0.0007 0.0007
Loa Loa (eye worm) hypothetical protein 0.0112 0.2631 0.4143
Brugia malayi 3'5'-cyclic nucleotide phosphodiesterase family protein 0.0121 0.2861 0.4506
Brugia malayi Pre-SET motif family protein 0.003 0.0539 0.0848
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0045 0.092 0.092
Schistosoma mansoni histone-lysine n-methyltransferase suv9 0.003 0.0539 0.0539
Echinococcus multilocularis jumonji domain containing 1A 0.0009 0.0012 0.0012
Loa Loa (eye worm) hypothetical protein 0.0121 0.2861 0.4506
Echinococcus granulosus cAMP specific 3'5' cyclic phosphodiesterase 0.0009 0.0007 0.0007
Echinococcus multilocularis jumonji domain containing protein 0.004 0.0791 0.0791
Echinococcus granulosus jumonji domain containing protein 0.004 0.0791 0.0791
Echinococcus multilocularis cpg binding protein 0.003 0.0536 0.0536
Loa Loa (eye worm) hypothetical protein 0.0112 0.2631 0.4143
Loa Loa (eye worm) hypothetical protein 0.003 0.0539 0.0848
Toxoplasma gondii WD domain, G-beta repeat-containing protein 0.0009 0.0015 0.013
Echinococcus granulosus cpg binding protein 0.003 0.0536 0.0536
Echinococcus multilocularis histone lysine N methyltransferase SETMAR 0.003 0.0539 0.0539
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.003 0.0539 0.0539
Echinococcus granulosus survival motor neuron protein 1 0.0258 0.635 0.635
Brugia malayi Probable 3',5'-cyclic phosphodiesterase R153.1, putative 0.0009 0.0007 0.0012
Toxoplasma gondii 3'5'-cyclic nucleotide phosphodiesterase domain-containing protein 0.0009 0.0007 0.0063
Loa Loa (eye worm) jmjC domain-containing protein 0.0009 0.0012 0.0019
Echinococcus granulosus high affinity cAMP specific 3'5' cyclic 0.0009 0.0007 0.0007
Echinococcus multilocularis phd:f box containing protein 0.0009 0.0012 0.0012
Toxoplasma gondii PHD-finger domain-containing protein 0.0009 0.0015 0.013
Echinococcus multilocularis pikachurin 0.0023 0.0368 0.0368
Brugia malayi Iron-sulfur cluster assembly accessory protein 0.0053 0.1118 0.176
Echinococcus multilocularis cAMP specific 3',5' cyclic phosphodiesterase 0.0009 0.0007 0.0007
Toxoplasma gondii 3'5'-cyclic nucleotide phosphodiesterase domain-containing protein 0.0009 0.0007 0.0063
Echinococcus multilocularis histone lysine methyltransferase setb histone lysine methyltransferase eggless 0.003 0.0539 0.0539
Loa Loa (eye worm) hypothetical protein 0.0029 0.0506 0.0796
Toxoplasma gondii 3'5'-cyclic nucleotide phosphodiesterase domain-containing protein 0.0009 0.0007 0.0063
Schistosoma mansoni high-affinity cgmp-specific 35-cyclic phosphodiesterase 0.0009 0.0007 0.0007
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0045 0.092 0.092
Toxoplasma gondii 3'5'-cyclic nucleotide phosphodiesterase domain-containing protein 0.0009 0.0007 0.0063
Schistosoma mansoni hypothetical protein 0.0009 0.0015 0.0015
Schistosoma mansoni hypothetical protein 0.0029 0.0506 0.0506
Echinococcus granulosus neurogenic locus notch protein 0.0023 0.0368 0.0368
Echinococcus granulosus Jumonji AT rich interactive domain 1B 0.0011 0.0053 0.0053
Toxoplasma gondii PHD-finger domain-containing protein 0.0029 0.0506 0.4343
Plasmodium vivax hypothetical protein, conserved 0.0011 0.0059 0.0971
Schistosoma mansoni high-affinity cgmp-specific 35-cyclic phosphodiesterase 0.0009 0.0007 0.0007
Loa Loa (eye worm) jmjC domain-containing protein 0.0059 0.1282 0.2018

Activities

Activity type Activity value Assay description Source Reference
IC50 (binding) > 2000 nM Inhibition of PDE8B ChEMBL. 21459572

Phenotypes

Whole-cell/tissue/organism interactions

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

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

Annotated phenotypes:

We have no manually annotated phenotypes for this drug. What does this mean? / Care to help?
In TDR Targets, information about phenotypes that are caused by drugs, or by genetic manipulation of cells (e.g. gene knockouts or knockdowns) is manually curated from the literature. These descriptions help to describe the potential of the target for drug development. If no information is available for this gene or if the information is incomplete, this may mean that i) the papers containing this information either appeared after the curation effort for this organism was carried out or they were inadvertently missed by curators; or that ii) the curation effort for this organism has not yet started.
 
In any case, if you have information about papers containing relevant validation data for this target, please log in using your TDR Targets username and password and send them to us using the corresponding form in this page (only visible to registered users) or contact us.

External resources for this compound

Bibliographic References

1 literature reference was collected for this gene.

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