Details of the Drug

General Information of Drug (ID: DM0KXN4)

Drug Name
alpha-oxoadipic acid
Synonyms alpha-ketoadipic acid; 2-ketoadipate; 2-oxoadipate
Indication
Disease Entry ICD 11 Status REF
Discovery agent N.A. Investigative [1]
Drug Type
Small molecular drug
Structure
3D MOL is unavailable 2D MOL
#Ro5 Violations (Lipinski): 0 Molecular Weight (mw) 160.12
Logarithm of the Partition Coefficient (xlogp) -0.5
Rotatable Bond Count (rotbonds) 5
Hydrogen Bond Donor Count (hbonddonor) 2
Hydrogen Bond Acceptor Count (hbondacc) 5
Chemical Identifiers
Formula
C6H8O5
IUPAC Name
2-oxohexanedioic acid
Canonical SMILES
C(CC(=O)C(=O)O)CC(=O)O
InChI
InChI=1S/C6H8O5/c7-4(6(10)11)2-1-3-5(8)9/h1-3H2,(H,8,9)(H,10,11)
InChIKey
FGSBNBBHOZHUBO-UHFFFAOYSA-N
Cross-matching ID
PubChem CID
71
ChEBI ID
CHEBI:15753
CAS Number
3184-35-8
TTD ID
D0J5RG
VARIDT ID
DR00218

Molecular Interaction Atlas of This Drug


Drug Transporter (DTP)
DTP Name DTP ID UniProt ID MOA REF
Mitochondrial 2-oxodicarboxylate carrier (SLC25A21) DT2UQYR ODC_HUMAN Substrate [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. (Ligand id: 4657).
2 Mitochondrial oxodicarboxylate carrier deficiency is associated with mitochondrial DNA depletion and spinal muscular atrophy-like disease. Genet Med. 2018 Oct;20(10):1224-1235.