Details of the Drug

General Information of Drug (ID: DML7YPS)

• Drug Name: Duroquinone
• Synonyms: Duroquinone; 527-17-3; Tetramethyl-1,4-benzoquinone; Tetramethyl-p-benzoquinone; Tetramethylquinone; 2,3,5,6-Tetramethyl-1,4-benzoquinone; 2,3,5,6-tetramethylcyclohexa-2,5-diene-1,4-dione; Tetramethyl-p-quinone; 2,3,5,6-Tetramethylbenzoquinone; p-Benzoquinone, tetramethyl-; p-Benzoquinone, 2,3,5,6-tetramethyl-; 2,3,5,6-Tetramethyl-p-benzoquinone; 2,5-Cyclohexadiene-1,4-dione, 2,3,5,6-tetramethyl-; NSC 2068; CCRIS 2989; p-Benzoquinone, tetramethyl-, semiquinone; UNII-X0Q8791R69; EINECS 208-409-8

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); 164.2
  Logarithm of the Partition Coefficient (xlogp); 2.2
  Rotatable Bond Count (rotbonds); 0
  Hydrogen Bond Donor Count (hbonddonor); 0
  Hydrogen Bond Acceptor Count (hbondacc); 2
• Chemical Identifiers:
  Formula: C10H12O2
  IUPAC Name: 2,3,5,6-tetramethylcyclohexa-2,5-diene-1,4-dione
  Canonical SMILES: CC1=C(C(=O)C(=C(C1=O)C)C)C
  InChI: InChI=1S/C10H12O2/c1-5-6(2)10(12)8(4)7(3)9(5)11/h1-4H3
  InChIKey: WAMKWBHYPYBEJY-UHFFFAOYSA-N
• Cross-matching ID:
  PubChem CID: 68238
  ChEBI ID: CHEMBL42023
  CAS Number: 527-17-3
  UNII: X0Q8791R69
  DrugBank ID: DB01927
  TTD ID: D01WPJ
• 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
Quinone reductase 1 (NQO1)	TT8XK6L	NQO1_HUMAN	Inhibitor	[1]

Molecular Expression Atlas of This Drug

• The Studied Disease: Discovery agent
• ICD Disease Classification: N.A.

Molecule Name	Molecule Type	Gene Name	p-value	Fold-Change	Z-score
Quinone reductase 1 (NQO1)	DTT	NQO1	2.05E-04	0.89	2.67

References

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