Details of the Drug

General Information of Drug (ID: DM0O8N6)

Drug Name
Propionate
Synonyms
propanoate; Propanoic acid, ion(1-); propanate; EtCO2 anion; UNII-AKW5EM890C; AKW5EM890C; pseudoacetate; metacetonate; ethanecarboxylate; 1972/3/7; 28488-34-8; CHEMBL500826; NCGC00159468-02; Bugle; Propionate ion; carboxylatoethane; AC1L2XEZ; Sentry Grain Preservative; AC1Q2RL9; CH3-CH2-COO(-); CHEBI:17272; CTK4G1579; DTXSID90222279; XBDQKXXYIPTUBI-UHFFFAOYSA-M; BDBM50257201; STL483862; AKOS015901051; NCGC00159468-03; NCGC00159468-04; CJ-04452; ZB014971; Propanoic acid,neodymium(3+) salt (9CI); LS-190254; 3002-EP2374454A1
Indication
Disease Entry ICD 11 Status REF
Discovery agent N.A. Investigative [1]
Drug Type
Small molecular drug
Structure
3D MOL 2D MOL
#Ro5 Violations (Lipinski): 0 Molecular Weight (mw) 73.07
Logarithm of the Partition Coefficient (xlogp) 0.9
Rotatable Bond Count (rotbonds) 0
Hydrogen Bond Donor Count (hbonddonor) 0
Hydrogen Bond Acceptor Count (hbondacc) 2
Chemical Identifiers
Formula
C3H5O2-
IUPAC Name
propanoate
Canonical SMILES
CCC(=O)[O-]
InChI
InChI=1S/C3H6O2/c1-2-3(4)5/h2H2,1H3,(H,4,5)/p-1
InChIKey
XBDQKXXYIPTUBI-UHFFFAOYSA-M
Cross-matching ID
PubChem CID
104745
ChEBI ID
CHEBI:17272
CAS Number
72-03-7
TTD ID
D0B0SD
VARIDT ID
DR00156

Molecular Interaction Atlas of This Drug


Drug Therapeutic Target (DTT)
DTT Name DTT ID UniProt ID MOA REF
Mycobacterium Biosynthetic alanine racemase (MycB alr) TT6TMZU ALR_MYCSM Inhibitor [1]

Drug Transporter (DTP)
DTP Name DTP ID UniProt ID MOA REF
Sodium-coupled monocarboxylate transporter 1 (SLC5A8) DTE3TAW SC5A8_HUMAN Substrate [2]
Molecular Interaction Atlas (MIA) Jump to Detail Molecular Interaction Atlas of This Drug

References

1 Molecular dynamics studies of alanine racemase: a structural model for drug design. Biopolymers. 2003 Oct;70(2):186-200.
2 SLC transporters as a novel class of tumour suppressors: identity, function and molecular mechanisms. Biochem J. 2016 May 1;473(9):1113-24.