Details of the Drug

General Information of Drug (ID: DMVBQ20)

Drug Name
Cholini alfosceras
Synonyms
Alfoscerate de choline; Alfoscerato de colina; Choline Alfoscerate; Choline Alphoscerate; Choline glycerophosphate; Glycerophosphorylcholine; Cholini glycerophosphas; Glicerofosfato de colina; Glycerol phosphorylcholine; Glycerophosphate de choline; Glycerophosphocholine; L-alpha-Glycerophosphocholine; L-alpha-Glycerophosphorylcholine; L-alpha-Glycerylphosphorylcholine; SN-glycero-3-phosphocholine; Sn-3-GPC; alpha-Glycerophosphorylcholine; glycerol-3-phosphocholine; 28319-77-9; GPCho; UNII-60M22SGW66
Structure
3D MOL 2D MOL
#Ro5 Violations (Lipinski): 1 Molecular Weight (mw) 257.22
Logarithm of the Partition Coefficient (xlogp) -2.3
Rotatable Bond Count (rotbonds) 8
Hydrogen Bond Donor Count (hbonddonor) 2
Hydrogen Bond Acceptor Count (hbondacc) 6
Chemical Identifiers
Formula
C8H20NO6P
IUPAC Name
[(2R)-2,3-dihydroxypropyl] 2-(trimethylazaniumyl)ethyl phosphate
Canonical SMILES
C[N+](C)(C)CCOP(=O)([O-])OCC(CO)O
InChI
SUHOQUVVVLNYQR-MRVPVSSYSA-N
InChIKey
1S/C8H20NO6P/c1-9(2,3)4-5-14-16(12,13)15-7-8(11)6-10/h8,10-11H,4-7H2,1-3H3/t8-/m1/s1
Cross-matching ID
PubChem CID
657272
ChEBI ID
CHEBI:16870
CAS Number
28319-77-9
DrugBank ID
DB04660
INTEDE ID
DR2098

Molecular Interaction Atlas of This Drug


Drug-Metabolizing Enzyme (DME)
DME Name DME ID UniProt ID MOA REF
Choline glycerophosphodiester phosphodiesterase (ENPP6)
Main DME 		DEUL532 ENPP6_HUMAN Substrate [1]
Molecular Interaction Atlas (MIA) Jump to Detail Molecular Interaction Atlas of This Drug

References

1 Biochemical and molecular characterization of a novel choline-specific glycerophosphodiester phosphodiesterase belonging to the nucleotide pyrophosphatase/phosphodiesterase family. J Biol Chem. 2005 Jun 17;280(24):23084-93.