Details of the Drug

General Information of Drug (ID: DM4UE3K)

Drug Name

Acetylcarnitine

Synonyms

(-)-Acetylcarnitine; (3R)-3-acetyloxy-4-(trimethylazaniumyl)butanoate; (R)-Acetylcarnitine; 3040-38-8; 6DH1W9VH8Q; ALCAR; Acetyl-L-(-)-carnitine; Acetyl-L-carnitine; Acetylcarnitine, L-; CAR(2:0); CHEBI:57589; Carnitine, acetyl-, L-; HSDB 7587; L-ACETYLCARNITINE; L-Acetyl carnitine; L-Carnitine acetyl ester; L-O-Acetylcarnitine; Levocarnitine acetyl; Nicetile; O-Acetyl-L-carnitine; R-Acetylcarnitine; RDHQFKQIGNGIED-MRVPVSSYSA-N; UNII-6DH1W9VH8Q; acetyl l-carnitine; acetyl-carnitine; acetylcarnitine

Indication

Disease Entry	ICD 11	Status	REF
Chronic fatigue syndrome	8E49	Withdrawn from market	[]

Affected Organisms

Humans and other mammals

ATC Code

N06BX12: Acetylcarnitine

N06BX: Other psychostimulants and nootropics

N06B: PSYCHOSTIMULANTS, AGENTS USED FOR ADHD AND NOOTROPICS

N06: PSYCHOANALEPTICS

N: NERVOUS SYSTEM

Drug Type

Small molecular drug

Structure

3D MOL

2D MOL

#Ro5 Violations (Lipinski):
0

Molecular Weight

203.238

Logarithm of the Partition Coefficient

Not Available

Rotatable Bond Count

Hydrogen Bond Donor Count

Hydrogen Bond Acceptor Count

Chemical Identifiers

Formula: C9H17NO4
IUPAC Name: (3R)-3-acetyloxy-4-(trimethylazaniumyl)butanoate
Canonical SMILES: CC(=O)OC(CC(=O)[O-])C[N+](C)(C)C
InChI: InChI=1S/C9H17NO4/c1-7(11)14-8(5-9(12)13)6-10(2,3)4/h8H,5-6H2,1-4H3/t8-/m1/s1
InChIKey: RDHQFKQIGNGIED-MRVPVSSYSA-N

Cross-matching ID

PubChem CID: 7045767
ChEBI ID: CHEMBL57589
CAS Number: 3040-38-8
UNII: 6DH1W9VH8Q
DrugBank ID: DB08842
VARIDT ID: DR01232

Drug ADMET Endpoint Profile (DAE)^NEW

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Molecular Interaction Atlas of This Drug

Drug Transporter (DTP)

DTP Name	DTP ID	UniProt ID	MOA	REF
Organic cation/carnitine transporter 2 (SLC22A5)	DT3HUVD	S22A5_HUMAN	Substrate	[1]

Drug Off-Target (DOT)

DOT Name	DOT ID	UniProt ID	Interaction	REF
Peroxisome proliferator-activated receptor gamma coactivator 1-alpha (PPARGC1A)	OTHCDQ22	PRGC1_HUMAN	Gene/Protein Processing	[2]

Molecular Interaction Atlas (MIA)

MIA Detail

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References

1	Cloning and functional characterization of a novel up-regulator, cartregulin, of carnitine transporter, OCTN2. Arch Biochem Biophys. 2006 Aug 1;452(1):29-37.
2	Combined R-alpha-lipoic acid and acetyl-L-carnitine exerts efficient preventative effects in a cellular model of Parkinson's disease. J Cell Mol Med. 2010 Jan;14(1-2):215-25. doi: 10.1111/j.1582-4934.2008.00390.x.