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]
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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

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]

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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]

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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.