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]
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) 15
Hydrogen Bond Donor Count (hbonddonor) 1
Hydrogen Bond Acceptor Count (hbondacc) 4
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
CHEMBL77936
CAS Number
54857-86-2
TTD ID
D0P7HI
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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]
Molecular Interaction Atlas (MIA) 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.