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
CHEMBL30623
CAS Number
338-70-5
TTD ID
D01FAR
VARIDT ID
DR00022
Drug-Molecule Activity Atlas (DMA)NEW Click to Jump to the Detailed DMA Information of This Drug

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)