Details of the Drug

General Information of Drug (ID: DM09BJ4)

Drug Name

AC-8632

Synonyms

5-(Tetradecyloxy)-2-furoic acid; TOFA; 54857-86-2; 5-(Tetradecyloxy)-2-furancarboxylic acid; 5-Tetradecyloxy-2-furonic acid; Rmi 14514; UNII-BI12FRY055; 2-Furancarboxylic acid, 5-(tetradecyloxy)-; MDL 14514; RMI-14514; BRN 0539681; 5-(tetradecyloxy)furan-2-carboxylic acid; BI12FRY055; CHEBI:77936; C19H32O4; 2-Furancarboxylic acid,5-(tetradecyloxy)-; AC1Q5UHU; AC1L3GNQ; 5-(tetradecyloxy)furoic acid; SCHEMBL543676; 5-tetradecyloxy-2-furoic acid; GTPL5280; CHEMBL1562779; TOFA, RMI 14514; CTK5A2675; DTXSID60203338; Acetyl-coenzyme A carboxylase inhibitor (Parkinson's disease), Accera; Acetyl-coenzyme A carboxylase inhibitor (Parkinson's disease), Neuera

Indication

Disease Entry	ICD 11	Status	REF
Parkinson disease	8A00.0	Investigative	[1]
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Drug Type

Small molecular drug

Structure

3D MOL

2D MOL

#Ro5 Violations (Lipinski): 2

Molecular Weight (mw)

324.5

Logarithm of the Partition Coefficient (xlogp)

7.8

Rotatable Bond Count (rotbonds)

Hydrogen Bond Donor Count (hbonddonor)

Hydrogen Bond Acceptor Count (hbondacc)

Chemical Identifiers

Formula: C19H32O4
IUPAC Name: 5-tetradecoxyfuran-2-carboxylic acid
Canonical SMILES: CCCCCCCCCCCCCCOC1=CC=C(O1)C(=O)O
InChI: InChI=1S/C19H32O4/c1-2-3-4-5-6-7-8-9-10-11-12-13-16-22-18-15-14-17(23-18)19(20)21/h14-15H,2-13,16H2,1H3,(H,20,21)
InChIKey: CZRCFAOMWRAFIC-UHFFFAOYSA-N

Cross-matching ID

PubChem CID: 115175
ChEBI ID: CHEBI:77936
CAS Number: 54857-86-2
TTD ID: D0P7HI

Molecular Interaction Atlas of This Drug

Drug Therapeutic Target (DTT)

DTT Name	DTT ID	UniProt ID	MOA	REF
Acetyl-CoA carboxylase 2 (ACACB)	TTY84UG	ACACB_HUMAN	Inhibitor	[1]
Plasmodium Acetyl-CoA carboxylase 1 (Malaria ACC1)	TTYAWV0	Q9U752_PLAFA	Inhibitor	[2]

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Molecular Interaction Atlas (MIA)

MIA Detail

Jump to Detail Molecular Interaction Atlas of This Drug

References

1	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: 1264).
2	Reduced food intake and body weight in mice treated with fatty acid synthase inhibitors. Science. 2000 Jun 30;288(5475):2379-81.