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]
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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
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]

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Molecular Interaction Atlas (MIA)

MIA Detail

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.