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
Structure
3D MOL 2D MOL
#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
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
Hemoglobin (HB) TTQO71U HBA_HUMAN Inhibitor [1]
Molecular Interaction Atlas (MIA) Jump to Detail Molecular Interaction Atlas of This Drug

References

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