Details of the Drug

General Information of Drug (ID: DMDV48S)

Drug Name
5-Fluorolevulinic Acid
Synonyms
5-FLUOROLEVULINIC ACID; 5-Fluoro-4-oxopentanoic acid; 76385-49-4; 1gzg; LAF; 5-Fluoro-4-oxopentanoate; 5-Fluoro-4-ketopentanoic acid; Substrate analogue, 9; AC1L2YNX; AC1Q4OPQ; SCHEMBL1053778; Pentanoic acid,5-fluoro-4-oxo-; BDBM82192; CTK5E2869; DTXSID40227219; Pentanoic acid, 5-fluoro-4-oxo-
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) 134.11
Logarithm of the Partition Coefficient (xlogp) -0.2
Rotatable Bond Count (rotbonds) 4
Hydrogen Bond Donor Count (hbonddonor) 1
Hydrogen Bond Acceptor Count (hbondacc) 4
Chemical Identifiers
Formula
C5H7FO3
IUPAC Name
5-fluoro-4-oxopentanoic acid
Canonical SMILES
C(CC(=O)O)C(=O)CF
InChI
InChI=1S/C5H7FO3/c6-3-4(7)1-2-5(8)9/h1-3H2,(H,8,9)
InChIKey
MBVLGMJBSFUHKW-UHFFFAOYSA-N
Cross-matching ID
PubChem CID
131153
CAS Number
76385-49-4
UNII
U7AG97N7XY
DrugBank ID
DB02828
TTD ID
D0NV2V

Molecular Interaction Atlas of This Drug


Drug Therapeutic Target (DTT)
DTT Name DTT ID UniProt ID MOA REF
Delta-aminolevulinic acid dehydratase (ALAD) TTJHKYD HEM2_HUMAN Inhibitor [1]
Molecular Interaction Atlas (MIA) Jump to Detail Molecular Interaction Atlas of This Drug

References

1 How many drug targets are there Nat Rev Drug Discov. 2006 Dec;5(12):993-6.