Standard InChI: InChI=1S/C6H13NO4/c8-1-3-5(10)6(11)4(2-9)7-3/h3-11H,1-2H2/t3-,4-,5-,6-/m0/s1
Standard InChI Key: PFYHYHZGDNWFIF-BXKVDMCESA-N
Associated Targets(Human)
Glycogen debranching enzyme 27 Activities
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Lysosomal alpha-glucosidase 35701 Activities
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Beta-glucosidase cytosolic 63 Activities
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Associated Targets(non-human)
Sucrase-isomaltase 908 Activities
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Acidic alpha-glucosidase 551 Activities
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Alpha-mannosidase 234 Activities
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Molecule Features
Natural Product: Yes
Oral: No
Chemical Probe: No
Parenteral: No
Molecule Type: Small molecule
Topical: No
First In Class: No
Black Box: No
Chirality: No
Availability: No
Prodrug: No
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Properties
Molecular Weight: 163.17
Molecular Weight (Monoisotopic): 163.0845
AlogP: -2.97
#Rotatable Bonds: 2
Polar Surface Area: 92.95
Molecular Species: BASE
HBA: 5
HBD: 5
#RO5 Violations: 0
HBA (Lipinski): 5
HBD (Lipinski): 5
#RO5 Violations (Lipinski): 0
CX Acidic pKa: 13.18
CX Basic pKa: 8.88
CX LogP: -2.89
CX LogD: -4.38
Aromatic Rings: 0
Heavy Atoms: 11
QED Weighted: 0.30
Np Likeness Score: 1.93
References
1.Minami Y, Kuriyama C, Ikeda K, Kato A, Takebayashi K, Adachi I, Fleet GW, Kettawan A, Okamoto T, Asano N.. (2008) Effect of five-membered sugar mimics on mammalian glycogen-degrading enzymes and various glucosidases., 16 (6):[PMID:18258441][10.1016/j.bmc.2008.01.032]
2.Kato A, Hayashi E, Miyauchi S, Adachi I, Imahori T, Natori Y, Yoshimura Y, Nash RJ, Shimaoka H, Nakagome I, Koseki J, Hirono S, Takahata H.. (2012) α-1-C-butyl-1,4-dideoxy-1,4-imino-l-arabinitol as a second-generation iminosugar-based oral α-glucosidase inhibitor for improving postprandial hyperglycemia., 55 (23):[PMID:23106358][10.1021/jm301304e]
3.Miyawaki S, Hirokami Y, Kinami K, Hoshino M, Minehira D, Miyamoto D, Nash RJ, Fleet GW, Adachi I, Toyooka N, Kato A.. (2017) Strategy for designing selective α-l-rhamnosidase inhibitors: Synthesis and biological evaluation of l-DMDP cyclic isothioureas., 25 (1):[PMID:27789075][10.1016/j.bmc.2016.10.015]
4.Li HY, Lee NC, Chiu YT, Chang YW, Lin CC, Chou CL, Chien YH, Hwu WL, Cheng WC.. (2023) Harnessing polyhydroxylated pyrrolidines as a stabilizer of acid alpha-glucosidase (GAA) to enhance the efficacy of enzyme replacement therapy in Pompe disease., 78 [PMID:36542959][10.1016/j.bmc.2022.117129]
