Details of the Drug

General Information of Drug (ID: DM40SEU)

Drug Name
oxalate
Synonyms oxalate2-
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) 88.02
Logarithm of the Partition Coefficient (xlogp) 1
Rotatable Bond Count (rotbonds) 0
Hydrogen Bond Donor Count (hbonddonor) 0
Hydrogen Bond Acceptor Count (hbondacc) 4
Chemical Identifiers
Formula
C2O4-2
IUPAC Name
oxalate
Canonical SMILES
C(=O)(C(=O)[O-])[O-]
InChI
InChI=1S/C2H2O4/c3-1(4)2(5)6/h(H,3,4)(H,5,6)/p-2
InChIKey
MUBZPKHOEPUJKR-UHFFFAOYSA-L
Cross-matching ID
PubChem CID
71081
ChEBI ID
CHEBI:30623
CAS Number
338-70-5
TTD ID
D01FAR
VARIDT ID
DR00022

Molecular Interaction Atlas of This Drug


Drug Transporter (DTP)
DTP Name DTP ID UniProt ID MOA REF
Sulfate anion transporter 1 (SLC26A1) DTJ785O S26A1_HUMAN Substrate [2]
Anion exchange transporter (SLC26A7) DTOTME4 S26A7_HUMAN Substrate [3]
Anion exchange transporter (SLC26A6) DTVGOLN S26A6_HUMAN Substrate [4]
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: 4538).
2 Mutations in SLC26A1 Cause Nephrolithiasis. Am J Hum Genet. 2016 Jun 2;98(6):1228-1234.
3 The Transporter Classification Database (TCDB): recent advances. Nucleic Acids Res. 2016 Jan 4;44(D1):D372-9. (ID: 2.A.53.2.6)
4 Oxalate (urine, plasma)