Details of the Drug

General Information of Drug (ID: DMTZ17V)

• Drug Name: Laevulinic Acid
• Synonyms: Levulinic acid; LEVULINIC ACID; 4-Oxopentanoic acid; 123-76-2; Laevulinic acid; Pentanoic acid, 4-oxo-; 4-Oxovaleric acid; Levulic acid; 3-Acetylpropionic acid; 4-Ketovaleric acid; LEVA; gamma-Ketovaleric acid; Acetopropionic acid; Levulinsaeure; Laevulic acid; Valeric acid, 4-oxo-; beta-Acetylpropionic acid; USAF CZ-1; 4-oxo-pentanoic acid; Propionic acid, 3-acetyl-; 4-Oxopentansaeure; Acidum laevulinicum; 3-Acetylpropionsaeure; 3-Ketobutane-1-carboxylic acid; UNII-RYX5QG61EI; NSC 3716; Acetylpropionic acid; FEMA No 2627; Pentanoic acid, 4-oxo; Levulinic Acid

Indication

Disease Entry	ICD 11	Status	REF
Discovery agent	N.A.	Investigative	[1]

• Drug Type: Small molecular drug
• #Ro5 Violations (Lipinski): 0:
  Molecular Weight (mw); 116.11
  Logarithm of the Partition Coefficient (xlogp); -0.5
  Rotatable Bond Count (rotbonds); 3
  Hydrogen Bond Donor Count (hbonddonor); 1
  Hydrogen Bond Acceptor Count (hbondacc); 3
• Chemical Identifiers:
  Formula: C5H8O3
  IUPAC Name: 4-oxopentanoic acid
  Canonical SMILES: CC(=O)CCC(=O)O
  InChI: InChI=1S/C5H8O3/c1-4(6)2-3-5(7)8/h2-3H2,1H3,(H,7,8)
  InChIKey: JOOXCMJARBKPKM-UHFFFAOYSA-N
• Cross-matching ID:
  PubChem CID: 11579
  ChEBI ID: CHEBI:45630
  CAS Number: 123-76-2
  DrugBank ID: DB02239
  TTD ID: D0A1PW
  VARIDT ID: DR00992

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]

References

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