Details of the Drug

General Information of Drug (ID: DMXGV63)

• Drug Name: Dichloroallyl lawsone
• Synonyms: Dichloroallyl lawsone; Dichlorolapachol; Dichlorolawsone; Dichloroallyllawsone; Lawsone, dichlorallyl-; 36417-16-0; NSC 126771; NSC-126771; 2-Hydroxy-3-(3,3-dichloroallyl)-1,4-naphthoquinone; UNII-ZE2BI297KA; BRN 1977648; ZE2BI297KA; 1,4-Naphthoquinone, 2-(3,3-dichloroallyl)-3-hydroxy-; MLS002701983; 1,4-NAPHTHALENEDIONE, 2-(3,3-DICHLORO-2-PROPENYL)-3-HYDROXY-; NSC126771; 3-(3,3-Dichloroallyl)-2-hydroxy-1,4-naphthoquinone; AC1L5MNX; AC1Q3FFX; NCIMech_000041; Dichloroallyl lawsone (DCL); C13H8Cl2O3

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); 283.1
  Logarithm of the Partition Coefficient (xlogp); 3
  Rotatable Bond Count (rotbonds); 2
  Hydrogen Bond Donor Count (hbonddonor); 1
  Hydrogen Bond Acceptor Count (hbondacc); 3
• Chemical Identifiers:
  Formula: C13H8Cl2O3
  IUPAC Name: 3-(3,3-dichloroprop-2-enyl)-4-hydroxynaphthalene-1,2-dione
  Canonical SMILES: C1=CC=C2C(=C1)C(=C(C(=O)C2=O)CC=C(Cl)Cl)O
  InChI: InChI=1S/C13H8Cl2O3/c14-10(15)6-5-9-11(16)7-3-1-2-4-8(7)12(17)13(9)18/h1-4,6,16H,5H2
  InChIKey: LWQZLQISFLBSGW-UHFFFAOYSA-N
• Cross-matching ID:
  PubChem CID: 277767
  CAS Number: 36417-16-0
  TTD ID: D00CQT
• Drug ADMET Endpoint Profile (DAE)NEW: Click to Jump to the Detailed DAE Information of This Drug

Molecular Interaction Atlas of This Drug

Drug Therapeutic Target (DTT)

DTT Name	DTT ID	UniProt ID	MOA	REF
Plasmodium Dihydroorotate dehydrogenase (Malaria DHOdehase)	TT3PQ2Y	PYRD_PLAF7	Inhibitor	[1]

References

• [1] Malarial dihydroorotate dehydrogenase. Substrate and inhibitor specificity. J Biol Chem. 2002 Nov 1;277(44):41827-34.