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2,5-dideoxy-2,5-imino-D-glucitol

ID: ALA259905

Chembl Id: CHEMBL259905

Cas Number: 132295-44-4

PubChem CID: 445074

Max Phase: Preclinical

Molecular Formula: C6H13NO4

Molecular Weight: 163.17

Molecule Type: Small molecule

Associated Items:

Bioactivity Summary Target Summary Assay Summary

Names and Identifiers

Canonical SMILES: OC[C@@H]1N[C@H](CO)[C@@H](O)[C@@H]1O

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-/m1/s1

Standard InChI Key: PFYHYHZGDNWFIF-JGWLITMVSA-N

AGL Tbio Glycogen debranching enzyme (27 Activities)

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

GAA Tclin Lysosomal alpha-glucosidase (35701 Activities)

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

GBA3 Tbio Beta-glucosidase cytosolic (63 Activities)

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

Si Sucrase-isomaltase (908 Activities)

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

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

MESH ID	MESH Heading	EFO IDs	EFO Terms	Max Phase for Indication	References

Mechanism of Action	Action Type	target ID	Target Name	Target Type	Target Organism	Binding Site Name	References

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: ┄	HBA (Lipinski): 5	HBD (Lipinski): 5	#RO5 Violations (Lipinski): ┄
CX Acidic pKa: 13.18	CX Basic pKa: 8.88	CX LogP: -2.89	CX LogD: -4.38
Aromatic Rings: ┄	Heavy Atoms: 11	QED Weighted: 0.30	Np Likeness Score: 1.93

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. Asano N, Yamauchi T, Kagamifuchi K, Shimizu N, Takahashi S, Takatsuka H, Ikeda K, Kizu H, Chuakul W, Kettawan A, Okamoto T.. (2005) Iminosugar-producing Thai medicinal plants., 68 (8): [PMID:16124768] [10.1021/np050157a]

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