Details of the Drug Metabolized by Drug-Metabolizing Enzyme (DME)

General Information of Drug (ID: DR2466)
Drug Name
Man-b-4MU
Synonyms
VZ29453; Man-b-4MU; 4-methylumbelliferyl beta-d-mannopyranoside; SCHEMBL308899; ZINC13536768; ZX-AFC001336; 4-Methyl-7-(((2S,3S,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-2-yl)oxy)-2H-chromen-2-one; 4-Methylumbelliferyl beta-D-mannopyranoside; 4-Methylumbelliferyl mannoside; 4-Methylumbelliferyl-beta-D-mannopyranoside; 4MUBM; 67909-30-2; 7-((2S,3R,4S,5S)-tetrahydro-3,4,5-trihydroxy-6-(hydroxymethyl)-2H-pyran-2-yloxy)-4-methyl-2H-chromen-2-one; CHEMBL3797837; para-Methylumbelliferyl-beta-D-mannopyranoside
Indication Discovery agent Investigative [1]
Structure
3D MOL 2D MOL
Pharmaceutical Properties Molecular Weight 338.31 Topological Polar Surface Area 126
Heavy Atom Count 24 Rotatable Bond Count 3
Hydrogen Bond Donor Count 4 Hydrogen Bond Acceptor Count 8
Cross-matching ID
PubChem CID
194267
CAS Number
67909-30-2
Formula
C16H18O8
Canonical SMILES
CC1=CC(=O)OC2=C1C=CC(=C2)OC3C(C(C(C(O3)CO)O)O)O
InChI
1S/C16H18O8/c1-7-4-12(18)23-10-5-8(2-3-9(7)10)22-16-15(21)14(20)13(19)11(6-17)24-16/h2-5,11,13-17,19-21H,6H2,1H3/t11-,13-,14+,15+,16-/m1/s1
InChIKey
YUDPTGPSBJVHCN-NZBFACKJSA-N
The Metabolic Roadmap of This Drug
The Full List of Drug Metabolites (DM) of This Drug
DM Name DM ID PubChem ID Reaction DM Level REF
Unclear DM009999 N. A. Unclear 1 [2]
The Full List of Metabolic Reaction (MR) of This Drug
MR ID Reactant Product MR Type DME REF
MR005856 Man-b-4MU Unclear Unclear manB [2]
Drug-Metabolizing Enzyme(s) (DME) Metabolizing This Drug
DME Name DME Info Species Uniprot ID EC Number REF
Beta-mannosidase (manB) DME1195 Bacteroides salyersiae
I8XYI3_9BACE
3.2.1.78
[2]
Experimental Enzyme Kinetic Data of This Drug
DME Name DME Info Kinetic Data Uniprot ID REF
Beta-mannosidase (manB) DME1195 Km = 1050 microM
I8XYI3_9BACE
[2]
References
1 Caprine beta-D-mannosidosis: characterization of a model lysosomal storage disorder. Can J Vet Res. 1990 Jan;54(1):22-9.
2 Structure and function of Bs164 beta-mannosidase from Bacteroides salyersiae the founding member of glycoside hydrolase family GH164. J Biol Chem. 2020 Mar 27;295(13):4316-4326.

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