Details of the Drug

General Information of Drug (ID: DMOQ43W)

• Drug Name: Naphthalene-1,4-diol
• Synonyms: Naphthalene-1,4-diol; 1,4-Dihydroxynaphthalene; 571-60-8; 1,4-NAPHTHALENEDIOL; 1,4-Naphthohydroquinone; Hydronaphthoquinone; Naphthohydroquinone; 1,4-Naphthoquinol; alpha-Naphthoquinhydrone; UNII-AML1P6T42C; CCRIS 7897; Naphthalene-1,4-dio; alpha-Naphthohydroquinone; EINECS 209-336-4; BRN 1307689; AML1P6T42C; CHEMBL206816; CHEBI:34063; PCILLCXFKWDRMK-UHFFFAOYSA-N; 1,4-Naphththalenediol; 1-Hydroxy-4-naphthol; 1,4-Naphthalene diol; napthalene- 1,4-diol; ACMC-1AXHC; Naphthalenediol-(1,4); 1,4-Dihydroxy-naphthalene; AC1L1X2M

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); 160.17
  Logarithm of the Partition Coefficient (xlogp); 1.8
  Rotatable Bond Count (rotbonds); 0
  Hydrogen Bond Donor Count (hbonddonor); 2
  Hydrogen Bond Acceptor Count (hbondacc); 2
• Chemical Identifiers:
  Formula: C10H8O2
  IUPAC Name: naphthalene-1,4-diol
  Canonical SMILES: C1=CC=C2C(=C1)C(=CC=C2O)O
  InChI: InChI=1S/C10H8O2/c11-9-5-6-10(12)8-4-2-1-3-7(8)9/h1-6,11-12H
  InChIKey: PCILLCXFKWDRMK-UHFFFAOYSA-N
• Cross-matching ID:
  PubChem CID: 11305
  ChEBI ID: CHEBI:34063
  CAS Number: 571-60-8
  TTD ID: D09BVH

Molecular Interaction Atlas of This Drug

Drug Therapeutic Target (DTT)

DTT Name	DTT ID	UniProt ID	MOA	REF
Indoleamine 2,3-dioxygenase 1 (IDO1)	TTZJYKH	I23O1_HUMAN	Inhibitor	[1]

References

• [1] Rational design of indoleamine 2,3-dioxygenase inhibitors. J Med Chem. 2010 Feb 11;53(3):1172-89.