Details of the Drug

General Information of Drug (ID: DMGXVBA)

• Drug Name: 2,3-DIMETHYL-1,4-NAPHTHOQUINONE
• Synonyms: 2,3-Dimethyl-1,4-naphthoquinone; 2,3-Dimethylnaphthoquinone; USAF SN-29; 2197-57-1; 1,4-Naphthalenedione, 2,3-dimethyl-; 2,3-dimethylnaphthalene-1,4-dione; UNII-SY9IO0B44O; SY9IO0B44O; 1,4-NAPHTHOQUINONE, 2,3-DIMETHYL-; NSC 36460; BRN 2044697; AI3-16112; 2,3-dimethyl-1,4-dihydronaphthalene-1,4-dione; AC1L28BU; AC1Q2DM1; SCHEMBL571026; CHEMBL354201; CTK4E8092; DTXSID50176380; MolPort-001-817-681; LGFDNUSAWCHVJN-UHFFFAOYSA-N; HMS1666O12; NSC36460; ZINC3063275; WLN: L66 BV EVJ C1 D1; 2,3-Dimethyl-[1,4]naphthoquinone; NSC-36460

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); 186.21
  Logarithm of the Partition Coefficient (xlogp); 1.7
  Rotatable Bond Count (rotbonds); 0
  Hydrogen Bond Donor Count (hbonddonor); 0
  Hydrogen Bond Acceptor Count (hbondacc); 2
• Chemical Identifiers:
  Formula: C12H10O2
  IUPAC Name: 2,3-dimethylnaphthalene-1,4-dione
  Canonical SMILES: CC1=C(C(=O)C2=CC=CC=C2C1=O)C
  InChI: InChI=1S/C12H10O2/c1-7-8(2)12(14)10-6-4-3-5-9(10)11(7)13/h3-6H,1-2H3
  InChIKey: LGFDNUSAWCHVJN-UHFFFAOYSA-N
• Cross-matching ID:
  PubChem CID: 16615
  CAS Number: 2197-57-1
  DrugBank ID: DB07669
  TTD ID: D05PZL

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]

References

• [1] The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42.