General Information of Drug (ID: DMMO3G5)

Drug Name
VS-5584 Drug Info
Synonyms
5-(9-Isopropyl-8-methyl-2-morpholino-9H-purin-6-yl)pyrimidin-2-amine; 1246560-33-7; VS-5584 (SB2343); UNII-W71J4X250V; SB-2343; SB2343; CHEMBL3393066; W71J4X250V; 5-(8-methyl-2-morpholin-4-yl-9-propan-2-ylpurin-6-yl)pyrimidin-2-amine; C17H22N8O; QYBGBLQCOOISAR-UHFFFAOYSA-N; SCHEMBL539098; GTPL8382; EX-A288; DTXSID10677328; MolPort-035-757-944; HMS3652B16; BCP08247; 2797AH; ZINC95644685; s7016; VS5584; BDBM50059635; AKOS024465057; 5-(9-isopropyl-8-methyl-2-morpholin-4-yl-9H-purin-6-yl)-pyrimidin-2-ylamine; SB16877
Indication
Disease Entry ICD 11 Status REF
Malignant mesothelioma 2C26.0 Phase 1 [1]
Solid tumour/cancer 2A00-2F9Z Phase 1 [2]
Cross-matching ID
PubChem CID
46912230
CAS Number
CAS 1246560-33-7
TTD Drug ID
DMMO3G5

Molecule-Related Drug Atlas

Molecule-Related Drug Atlas
Molecule Type:
DTT
DOT
Drug Status:
Clinical Trial Drug(s)
Approved Drug(s)
Drug Name Drug ID Indication ICD 11 Highest Status REF
RBT-101 DMDZW8K Respiratory tract infection CA45 Phase 3 [6]
AZD2014 DMOEARH Solid tumour/cancer 2A00-2F9Z Phase 2 [7]
ME-344 DM6JN19 Breast cancer 2C60-2C65 Phase 1/2 [7]
Palomid-529 DM428Y3 Alzheimer disease 8A20 Phase 1 [8]
NV-5138 DMLKS7W Major depressive disorder 6A70.3 Phase 1 [9]
Drug Name Drug ID Indication ICD 11 Highest Status REF
Sirolimus DMGW1ID Advanced cancer 2A00-2F9Z Approved [10]
Temsirolimus DMS104F Renal cell carcinoma 2C90 Approved [11]
PF-04449913 DMSB068 Chronic myelomonocytic leukaemia 2A40 Approved [12]
Everolimus DM8X2EH Advanced cancer 2A00-2F9Z Approved [13]
Novolimus DM6ZPLQ Artery stenosis BD52 Approved [4]
Zotarolimus DMRMCXW Solid tumour/cancer 2A00-2F9Z Approved [14]
Ridaforolimus DMLHEU7 Sarcoma 2A60-2C35 Phase 3 [15]
AZD2014 DMOEARH Solid tumour/cancer 2A00-2F9Z Phase 2 [16]
MM-141 DM2RJ4D Pancreatic cancer 2C10 Phase 2 [7]
PQR309 DMMCYZ8 Squamous head and neck cell carcinom 2D60.0 Phase 2 [4]
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Drug Name Drug ID Indication ICD 11 Highest Status REF
AZD2014 DMOEARH Solid tumour/cancer 2A00-2F9Z Phase 2 [7]
ME-344 DM6JN19 Breast cancer 2C60-2C65 Phase 1/2 [7]
Palomid-529 DM428Y3 Alzheimer disease 8A20 Phase 1 [8]
Drug(s) Targeting PI3-kinase gamma (PIK3CG)
Drug Name Drug ID Indication ICD 11 Highest Status REF
BAY 80-6946 DMLOS5R Follicular lymphoma 2A80 Approved [17]
IPI-145 DMWA24P Follicular lymphoma 2A80 Approved [18]
Buparlisib DM1WEHC Breast cancer 2C60-2C65 Phase 3 [19]
Enzastaurin DM5H0R9 Diffuse large B-cell lymphoma 2A81 Phase 3 [7]
Rigosertib DMOSTXF Myelodysplastic syndrome 2A37 Phase 3 [20]
GDC-0032 DMT4QHD Breast cancer 2C60-2C65 Phase 3 [7]
PQR309 DMMCYZ8 Squamous head and neck cell carcinom 2D60.0 Phase 2 [21]
SAR245409 DMQM7IL Solid tumour/cancer 2A00-2F9Z Phase 2 [22]
XL147 DMML7BE Solid tumour/cancer 2A00-2F9Z Phase 2 [22]
SF1126 DML10K3 Head and neck cancer 2D42 Phase 2 [23]
⏷ Show the Full List of 10 Drug(s)
Drug Name Drug ID Indication ICD 11 Highest Status REF
Fulvestrant DM0YZC6 Breast cancer 2C60-2C65 Approved [24]
Gefitinib DM15F0X Colon adenocarcinoma Approved [25]
Hydrogen peroxide DM1NG5W Infectious disease 1A00-CA43.1 Approved [26]
Selenium DM25CGV N. A. N. A. Approved [27]
Quercetin DM3NC4M Obesity 5B81 Approved [28]
Troglitazone DM3VFPD Diabetic complication 5A2Y Approved [29]
Tretinoin DM49DUI Acne vulgaris ED80 Approved [30]
Zidovudine DM4KI7O Human immunodeficiency virus infection 1C62 Approved [31]
Arsenic trioxide DM61TA4 Acute lymphoblastic leukaemia 2A85 Approved [32]
Aspirin DM672AH Acute coronary syndrome BA41 Approved [33]
⏷ Show the Full List of 10 Drug(s)
Drug Name Drug ID Indication ICD 11 Highest Status REF
Selenium DM25CGV N. A. N. A. Approved [34]
Trametinib DM2JGQ3 Melanoma 2C30 Approved [35]
Quercetin DM3NC4M Obesity 5B81 Approved [36]
Tretinoin DM49DUI Acne vulgaris ED80 Approved [37]
Remdesivir DMBFZ6L Coronavirus Disease 2019 (COVID-19) 1D6Y Approved [38]
Crizotinib DM4F29C Non-small-cell lung cancer 2C25.Y Approved [39]
Panobinostat DM58WKG Chronic graft versus host disease Approved [40]
Arsenic trioxide DM61TA4 Acute lymphoblastic leukaemia 2A85 Approved [41]
Aspirin DM672AH Acute coronary syndrome BA41 Approved [42]
Testosterone DM7HUNW Hot flushes GA30 Approved [43]
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Drug Name Drug ID Indication ICD 11 Highest Status REF
Estradiol DMUNTE3 Acne vulgaris ED80 Approved [44]
Sertraline DM0FB1J Coronary heart disease BA80.Z Approved [45]
Fulvestrant DM0YZC6 Breast cancer 2C60-2C65 Approved [46]
Gefitinib DM15F0X Colon adenocarcinoma Approved [47]
Hydrogen peroxide DM1NG5W Infectious disease 1A00-CA43.1 Approved [26]
Selenium DM25CGV N. A. N. A. Approved [48]
Ribavirin DMEYLH9 Hepatitis C virus infection 1E51.1 Approved [49]
Trametinib DM2JGQ3 Melanoma 2C30 Approved [35]
Sulindac DM2QHZU Acute myelogenous leukaemia 2A41 Approved [50]
Methotrexate DM2TEOL Anterior urethra cancer Approved [51]
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Drug Name Drug ID Indication ICD 11 Highest Status REF
Fructose DM43AN2 Vomiting MD90 Approved [52]
Aprepitant DM053KT Depression 6A70-6A7Z Approved [53]
Cannabidiol DM0659E Dravet syndrome 8A61.11 Approved [54]
Fulvestrant DM0YZC6 Breast cancer 2C60-2C65 Approved [55]
Hydrogen peroxide DM1NG5W Infectious disease 1A00-CA43.1 Approved [56]
Colchicine DM2POTE Acute gout flare FA25.0 Approved [57]
Sulindac DM2QHZU Acute myelogenous leukaemia 2A41 Approved [58]
Simvastatin DM30SGU Arteriosclerosis BD40 Approved [59]
Deoxycholic acid DM3GYAL Subcutaneous fat disorder EF02 Approved [60]
Quercetin DM3NC4M Obesity 5B81 Approved [28]
⏷ Show the Full List of 10 Drug(s)
Drug(s) Affected By Caspase-3 (CASP3)
Drug Name Drug ID Indication ICD 11 Highest Status REF
Sevoflurane DMC9O43 Anaesthesia 9A78.6 Approved [61]
Arsenic trioxide DM61TA4 Acute lymphoblastic leukaemia 2A85 Approved [62]
Lovastatin DM9OZWQ Arteriosclerosis BD40 Approved [63]
Cidofovir DMA13GD Cytomegalovirus infection 1D82 Approved [64]
Docetaxel DMDI269 Advanced cancer 2A00-2F9Z Approved [65]
Etoposide DMNH3PG Acute myelogenous leukaemia 2A41 Approved [66]
Cisplatin DMRHGI9 Adenocarcinoma 2D40 Approved [67]
Mannitol DMSCDY9 Bronchiectasis CA24 Approved [68]
Doxorubicin DMVP5YE Acute myelogenous leukaemia 2A41 Approved [69]
Aprepitant DM053KT Depression 6A70-6A7Z Approved [53]
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Drug Name Drug ID Indication ICD 11 Highest Status REF
Fulvestrant DM0YZC6 Breast cancer 2C60-2C65 Approved [70]
Gefitinib DM15F0X Colon adenocarcinoma Approved [71]
Prednisone DM2HG4X Acute asthma CA23 Approved [72]
Methotrexate DM2TEOL Anterior urethra cancer Approved [73]
Simvastatin DM30SGU Arteriosclerosis BD40 Approved [74]
Lapatinib DM3BH1Y Breast cancer 2C60-2C65 Approved [75]
Quercetin DM3NC4M Obesity 5B81 Approved [76]
Fluoxetine DM3PD2C Bipolar depression Approved [77]
Troglitazone DM3VFPD Diabetic complication 5A2Y Approved [78]
Tretinoin DM49DUI Acne vulgaris ED80 Approved [79]
⏷ Show the Full List of 10 Drug(s)
Drug Name Drug ID Indication ICD 11 Highest Status REF
Fulvestrant DM0YZC6 Breast cancer 2C60-2C65 Approved [80]
Gefitinib DM15F0X Colon adenocarcinoma Approved [81]
Hydrogen peroxide DM1NG5W Infectious disease 1A00-CA43.1 Approved [82]
Epinephrine DM3KJBC Acute asthma CA23 Approved [83]
Quercetin DM3NC4M Obesity 5B81 Approved [84]
Troglitazone DM3VFPD Diabetic complication 5A2Y Approved [85]
Fructose DM43AN2 Vomiting MD90 Approved [86]
Tretinoin DM49DUI Acne vulgaris ED80 Approved [87]
Zidovudine DM4KI7O Human immunodeficiency virus infection 1C62 Approved [88]
Rifampicin DM5DSFZ Non-insulin dependent diabetes 5A11 Approved [89]
⏷ Show the Full List of 10 Drug(s)
Drug Name Drug ID Indication ICD 11 Highest Status REF
Cannabidiol DM0659E Dravet syndrome 8A61.11 Approved [90]
Methotrexate DM2TEOL Anterior urethra cancer Approved [91]
Crizotinib DM4F29C Non-small-cell lung cancer 2C25.Y Approved [92]
Glucosamine DM4ZLFD Osteoarthritis FA00-FA05 Approved [93]
Arsenic trioxide DM61TA4 Acute lymphoblastic leukaemia 2A85 Approved [94]
Aspirin DM672AH Acute coronary syndrome BA41 Approved [95]
Testosterone DM7HUNW Hot flushes GA30 Approved [96]
Imatinib DM7RJXL Acute lymphoblastic leukaemia 2A85 Approved [97]
Capivasertib DM9SKW8 Breast cancer 2C60-2C65 Approved [98]
Ciclosporin DMAZJFX Graft-versus-host disease 4B24 Approved [99]
⏷ Show the Full List of 10 Drug(s)
Drug Name Drug ID Indication ICD 11 Highest Status REF
Paclitaxel DMLB81S Breast carcinoma Approved [100]
Aprepitant DM053KT Depression 6A70-6A7Z Approved [53]
Fulvestrant DM0YZC6 Breast cancer 2C60-2C65 Approved [80]
Nitric Oxide DM1RBYG Hypertension BA00-BA04 Approved [101]
Methotrexate DM2TEOL Anterior urethra cancer Approved [102]
obeticholic acid DM3Q1SM Primary biliary cholangitis DB96.1 Approved [103]
Tretinoin DM49DUI Acne vulgaris ED80 Approved [104]
Cyclophosphamide DM4O2Z7 Advanced cancer 2A00-2F9Z Approved [105]
Arsenic trioxide DM61TA4 Acute lymphoblastic leukaemia 2A85 Approved [106]
Trovafloxacin DM6AN32 Acute gonococcal cervicitis Approved [107]
⏷ Show the Full List of 10 Drug(s)
Drug Name Drug ID Indication ICD 11 Highest Status REF
Hydrogen peroxide DM1NG5W Infectious disease 1A00-CA43.1 Approved [108]
Nitric Oxide DM1RBYG Hypertension BA00-BA04 Approved [101]
Sulindac DM2QHZU Acute myelogenous leukaemia 2A41 Approved [109]
Methotrexate DM2TEOL Anterior urethra cancer Approved [110]
Dactinomycin DM2YGNW Adult kidney Wilms tumor Approved [111]
Simvastatin DM30SGU Arteriosclerosis BD40 Approved [112]
Penicillamine DM40EF6 Cystinuria 5C60.2 Approved [113]
Nefazodone DM4ZS8M Major depressive disorder 6A70.3 Approved [114]
Arsenic trioxide DM61TA4 Acute lymphoblastic leukaemia 2A85 Approved [115]
Aspirin DM672AH Acute coronary syndrome BA41 Approved [42]
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Molecular Interaction Atlas of This Drug

Molecular Interaction Atlas

Drug Therapeutic Target (DTT)
DTT Name DTT ID UniProt ID MOA REF
Mammalian target of rapamycin complex 1 (mTORC1) TTX4GLS MTOR_HUMAN-RPTOR_HUMAN-LST8_HUMAN-AKTS1_HUMAN-DPTOR_HUMAN Inhibitor [1]
PI3-kinase gamma (PIK3CG) TTHBTOP PK3CG_HUMAN Modulator [3]
Serine/threonine-protein kinase mTOR (mTOR) TTCJG29 MTOR_HUMAN Modulator [4]
Target of rapamycin complex 2 MAPKAP1 (MTORC2) TTWDKCL SIN1_HUMAN Inhibitor [1]

Drug Off-Target (DOT)
DOT Name DOT ID UniProt ID Interaction REF
Baculoviral IAP repeat-containing protein 3 (BIRC3) OT3E95KB BIRC3_HUMAN Gene/Protein Processing [5]
Bcl-2-binding component 3, isoforms 3/4 (BBC3) OTUAXDAY BBC3B_HUMAN Gene/Protein Processing [5]
Bcl-2-like protein 11 (BCL2L11) OTNQQWFJ B2L11_HUMAN Gene/Protein Processing [5]
Caspase-3 (CASP3) OTIJRBE7 CASP3_HUMAN Protein Interaction/Cellular Processes [5]
Cyclin-dependent kinase inhibitor 1B (CDKN1B) OTNY5LLZ CDN1B_HUMAN Gene/Protein Processing [5]
E3 ubiquitin-protein ligase XIAP OT24GP9B XIAP_HUMAN Gene/Protein Processing [5]
Myc proto-oncogene protein (MYC) OTPV5LUK MYC_HUMAN Gene/Protein Processing [5]
NF-kappa-B inhibitor alpha (NFKBIA) OTFT924M IKBA_HUMAN Post-Translational Modifications [5]
Small ribosomal subunit protein eS6 (RPS6) OTT4D1LN RS6_HUMAN Post-Translational Modifications [5]
Telomerase reverse transcriptase (TERT) OT085VVA TERT_HUMAN Gene/Protein Processing [5]

References

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3 VS-5584, a novel and highly selective PI3K/mTOR kinase inhibitor for the treatment of cancer. Mol Cancer Ther. 2013 Feb;12(2):151-61.
4 URL: http://www.guidetopharmacology.org Nucleic Acids Res. 2015 Oct 12. pii: gkv1037. The IUPHAR/BPS Guide to PHARMACOLOGY in 2016: towards curated quantitative interactions between 1300 protein targets and 6000 ligands. (Target id: 2109).
5 VS-5584 as a PI3K/mTOR inhibitor enhances apoptotic effects of subtoxic dose arsenic trioxide via inhibition of NF-B activity in B cell precursor-acute lymphoblastic leukemia. Biomed Pharmacother. 2018 Jun;102:428-437. doi: 10.1016/j.biopha.2018.03.009. Epub 2018 Mar 23.
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17 BAY 80-6946 is a highly selective intravenous PI3K inhibitor with potent p110 and p110 activities in tumor cell lines and xenograft models.Mol Cancer Ther.2013 Nov;12(11):2319-30.
18 PI3K-delta and PI3K-gamma inhibition by IPI-145 abrogates immune responses and suppresses activity in autoimmune and inflammatory disease models. Chem Biol. 2013 Nov 21;20(11):1364-74.
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23 An integrin-targeted, pan-isoform, phosphoinositide-3 kinase inhibitor, SF1126, has activity against multiple myeloma in vivo.Cancer Chemother Pharmacol.2013 Apr;71(4):867-81.
24 Effect of ellagic acid on the expression of human telomerase reverse transcriptase (hTERT) alpha+beta+ transcript in estrogen receptor-positive MCF-7 breast cancer cells. Clin Biochem. 2009 Sep;42(13-14):1358-62. doi: 10.1016/j.clinbiochem.2009.05.017. Epub 2009 Jun 6.
25 Antiproliferative effects of gefitinib are associated with suppression of E2F-1 expression and telomerase activity. Anticancer Res. 2006 Sep-Oct;26(5A):3387-91.
26 Arsenic suppresses gene expression in promyelocytic leukemia cells partly through Sp1 oxidation. Blood. 2005 Jul 1;106(1):304-10.
27 Inhibitory effects of selenium on telomerase activity and hTERT expression in cadmium-transformed 16HBE cells. Biomed Environ Sci. 2007 Aug;20(4):307-12.
28 Comparison of phenotypic and transcriptomic effects of false-positive genotoxins, true genotoxins and non-genotoxins using HepG2 cells. Mutagenesis. 2011 Sep;26(5):593-604.
29 Troglitazone suppresses telomerase activity independently of PPARgamma in estrogen-receptor negative breast cancer cells. BMC Cancer. 2010 Jul 22;10:390. doi: 10.1186/1471-2407-10-390.
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31 Characterization of the functional and growth properties of long-term cell cultures established from a human somatostatinoma. Endocr Relat Cancer. 2006 Mar;13(1):79-93. doi: 10.1677/erc.1.00988.
32 Characterization of arsenic-induced cytogenetic alterations in acute promyelocytic leukemia cell line, NB4. Med Oncol. 2012 Jun;29(2):1209-16. doi: 10.1007/s12032-011-9946-4. Epub 2011 May 5.
33 Lunasin, a novel seed peptide, sensitizes human breast cancer MDA-MB-231 cells to aspirin-arrested cell cycle and induced apoptosis. Chem Biol Interact. 2010 Jul 30;186(2):127-34. doi: 10.1016/j.cbi.2010.04.027. Epub 2010 May 21.
34 Selenium sensitizes MCF-7 breast cancer cells to doxorubicin-induced apoptosis through modulation of phospho-Akt and its downstream substrates. Mol Cancer Ther. 2007 Mar;6(3):1031-8. doi: 10.1158/1535-7163.MCT-06-0643. Epub 2007 Mar 5.
35 Combination small molecule MEK and PI3K inhibition enhances uveal melanoma cell death in a mutant GNAQ- and GNA11-dependent manner. Clin Cancer Res. 2012 Aug 15;18(16):4345-55. doi: 10.1158/1078-0432.CCR-11-3227. Epub 2012 Jun 25.
36 Quercetin induced cell apoptosis and altered gene expression in AGS human gastric cancer cells. Environ Toxicol. 2018 Nov;33(11):1168-1181. doi: 10.1002/tox.22623. Epub 2018 Aug 27.
37 Transcriptional and Metabolic Dissection of ATRA-Induced Granulocytic Differentiation in NB4 Acute Promyelocytic Leukemia Cells. Cells. 2020 Nov 5;9(11):2423. doi: 10.3390/cells9112423.
38 An in vitro study on anti-carcinogenic effect of remdesivir in human ovarian cancer cells via generation of reactive oxygen species. Hum Exp Toxicol. 2022 Jan-Dec;41:9603271221089257. doi: 10.1177/09603271221089257.
39 Antitumor action of the MET tyrosine kinase inhibitor crizotinib (PF-02341066) in gastric cancer positive for MET amplification. Mol Cancer Ther. 2012 Jul;11(7):1557-64. doi: 10.1158/1535-7163.MCT-11-0934. Epub 2012 Jun 22.
40 A transcriptome-based classifier to identify developmental toxicants by stem cell testing: design, validation and optimization for histone deacetylase inhibitors. Arch Toxicol. 2015 Sep;89(9):1599-618.
41 Arsenic trioxide induces different gene expression profiles of genes related to growth and apoptosis in glioma cells dependent on the p53 status. Mol Biol Rep. 2008 Sep;35(3):421-9.
42 Aspirin induces apoptosis in human leukemia cells independently of NF-kappaB and MAPKs through alteration of the Mcl-1/Noxa balance. Apoptosis. 2010 Feb;15(2):219-29. doi: 10.1007/s10495-009-0424-9.
43 The exosome-like vesicles derived from androgen exposed-prostate stromal cells promote epithelial cells proliferation and epithelial-mesenchymal transition. Toxicol Appl Pharmacol. 2021 Jan 15;411:115384. doi: 10.1016/j.taap.2020.115384. Epub 2020 Dec 25.
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45 Sertraline induces endoplasmic reticulum stress in hepatic cells. Toxicology. 2014 Aug 1;322:78-88. doi: 10.1016/j.tox.2014.05.007. Epub 2014 May 24.
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48 Selenite and selenomethionine promote HL-60 cell cycle progression. J Nutr. 2002 Apr;132(4):674-9. doi: 10.1093/jn/132.4.674.
49 Ribavirin augments doxorubicin's efficacy in human hepatocellular carcinoma through inhibiting doxorubicin-induced eIF4E activation. J Biochem Mol Toxicol. 2018 Jan;32(1). doi: 10.1002/jbt.22007. Epub 2017 Nov 7.
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51 The contribution of methotrexate exposure and host factors on transcriptional variance in human liver. Toxicol Sci. 2007 Jun;97(2):582-94.
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54 Cannabidiol Modulates the Immunophenotype and Inhibits the Activation of the Inflammasome in Human Gingival Mesenchymal Stem Cells. Front Physiol. 2016 Nov 24;7:559. doi: 10.3389/fphys.2016.00559. eCollection 2016.
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58 Protein phosphatase 2A interacts with and directly dephosphorylates RelA. J Biol Chem. 2001 Dec 21;276(51):47828-33. doi: 10.1074/jbc.M106103200. Epub 2001 Oct 8.
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60 Prevention of deoxycholate-induced gastric apoptosis by aspirin: roles of NF-kappaB and PKC signaling. J Surg Res. 2008 Mar;145(1):66-73. doi: 10.1016/j.jss.2007.04.039. Epub 2007 Jul 20.
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