Details of the Drug

General Information of Drug (ID: DMOI1ZF)

Drug Name
Choline alfoscerate
Synonyms Delecit (TN)
Indication
Disease Entry ICD 11 Status REF
Amnesia MB21.1 Approved [1]
Affected Organisms
Humans and other mammals
ATC Code
N07AX02: Choline alfoscerate
N07AX: Other parasympathomimetics
N07A: PARASYMPATHOMIMETICS
N07: OTHER NERVOUS SYSTEM DRUGS
N: NERVOUS SYSTEM
Drug Type
Small molecular drug
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-])OC[C@@H](CO)O
InChI
InChI=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
InChIKey
SUHOQUVVVLNYQR-MRVPVSSYSA-N
Cross-matching ID
PubChem CID
657272
ChEBI ID
CHEBI:16870
CAS Number
28319-77-9
UNII
60M22SGW66
DrugBank ID
DB04660
TTD ID
D06QDR

Molecular Interaction Atlas of This Drug


Drug Therapeutic Target (DTT)
DTT Name DTT ID UniProt ID MOA REF
Muscarinic acetylcholine receptor M5 (CHRM5) TTH18TF ACM5_HUMAN Modulator [2]

Drug Off-Target (DOT)
DOT Name DOT ID UniProt ID Interaction REF
Glycerophosphodiester phosphodiesterase domain-containing protein 5 (GDPD5) OTUM65JL GDPD5_HUMAN Regulation of Drug Effects [3]
Patatin-like phospholipase domain-containing protein 6 (PNPLA6) OTT5T45Q PLPL6_HUMAN Regulation of Drug Effects [4]
Molecular Interaction Atlas (MIA) Jump to Detail Molecular Interaction Atlas of This Drug

References

1 Drugs@FDA. U.S. Food and Drug Administration. U.S. Department of Health & Human Services. 2015
2 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: 467).
3 Decrease of an intracellular organic osmolyte contributes to the cytotoxicity of organophosphate in neuroblastoma cells in vitro. Toxicology. 2021 Apr 15;453:152725. doi: 10.1016/j.tox.2021.152725. Epub 2021 Feb 19.
4 The alteration of the expression level of neuropathy target esterase in human neuroblastoma SK-N-SH cells disrupts cellular phospholipids homeostasis. Toxicol In Vitro. 2023 Feb;86:105509. doi: 10.1016/j.tiv.2022.105509. Epub 2022 Nov 4.