Details of the Drug

General Information of Drug (ID: DM4OQWZ)

Drug Name
Malate Like Intermediate
Synonyms MALATE LIKE INTERMEDIATE; AC1NRDBV; DB03343; (Z,2R)-2,4-dihydroxy-4-oxidobut-3-enoate
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) 132.07
Logarithm of the Partition Coefficient (xlogp) 0.4
Rotatable Bond Count (rotbonds) 1
Hydrogen Bond Donor Count (hbonddonor) 2
Hydrogen Bond Acceptor Count (hbondacc) 5
Chemical Identifiers
Formula
C4H4O5-2
IUPAC Name
(Z,2R)-2,4-dihydroxy-4-oxidobut-3-enoate
Canonical SMILES
C(=C(\\O)/[O-])\\[C@H](C(=O)[O-])O
InChI
InChI=1S/C4H6O5/c5-2(4(8)9)1-3(6)7/h1-2,5-7H,(H,8,9)/p-2/t2-/m1/s1
InChIKey
QFBHYOKSQPPXHZ-UWTATZPHSA-L
Cross-matching ID
PubChem CID
5289457
DrugBank ID
DB03343
TTD ID
D0E0TK

Molecular Interaction Atlas of This Drug


Drug Therapeutic Target (DTT)
DTT Name DTT ID UniProt ID MOA REF
Bacterial Fumarate reductase flavoprotein (Bact frdA) TTHDSE2 FRDA_HELPY Inhibitor [1]
Molecular Interaction Atlas (MIA) Jump to Detail Molecular Interaction Atlas of This Drug

References

1 DrugBank 3.0: a comprehensive resource for 'omics' research on drugs. Nucleic Acids Res. 2011 Jan;39(Database issue):D1035-41.