Details of the Drug

General Information of Drug (ID: DMNMC9O)

• Drug Name: 4-[(5-methoxy-2-methylphenoxy)methyl]pyridine
• Synonyms: 4-[(5-methoxy-2-methylphenoxy)methyl]pyridine; DB07428

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); 229.27
  Logarithm of the Partition Coefficient (xlogp); 3.2
  Rotatable Bond Count (rotbonds); 4
  Hydrogen Bond Donor Count (hbonddonor); 0
  Hydrogen Bond Acceptor Count (hbondacc); 3
• Chemical Identifiers:
  Formula: C14H15NO2
  IUPAC Name: 4-[(5-methoxy-2-methylphenoxy)methyl]pyridine
  Canonical SMILES: CC1=C(C=C(C=C1)OC)OCC2=CC=NC=C2
  InChI: InChI=1S/C14H15NO2/c1-11-3-4-13(16-2)9-14(11)17-10-12-5-7-15-8-6-12/h3-9H,10H2,1-2H3
  InChIKey: MBHBRRBLXCXQKV-UHFFFAOYSA-N
• Cross-matching ID:
  PubChem CID: 46937073
  DrugBank ID: DB07428
  TTD ID: D0A1GE

Molecular Interaction Atlas of This Drug

Drug Therapeutic Target (DTT)

DTT Name	DTT ID	UniProt ID	MOA	REF
Hemoglobin (HB)	TTQO71U	HBA_HUMAN	Inhibitor	[1]

References

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