Details of the Drug

General Information of Drug (ID: DMLHDE3)

Drug Name
1-(7-Methoxy-2-phenyl-chroman-4-yl)-1H-imidazole
Synonyms CHEMBL95109; 1-(7-Methoxy-2-phenyl-chroman-4-yl)-1H-imidazole
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) 306.4
Logarithm of the Partition Coefficient (xlogp) 3.2
Rotatable Bond Count (rotbonds) 3
Hydrogen Bond Donor Count (hbonddonor) 0
Hydrogen Bond Acceptor Count (hbondacc) 3
Chemical Identifiers
Formula
C19H18N2O2
IUPAC Name
1-(7-methoxy-2-phenyl-3,4-dihydro-2H-chromen-4-yl)imidazole
Canonical SMILES
COC1=CC2=C(C=C1)C(CC(O2)C3=CC=CC=C3)N4C=CN=C4
InChI
InChI=1S/C19H18N2O2/c1-22-15-7-8-16-17(21-10-9-20-13-21)12-18(23-19(16)11-15)14-5-3-2-4-6-14/h2-11,13,17-18H,12H2,1H3
InChIKey
JEQHTTKNYWNYDK-UHFFFAOYSA-N
Cross-matching ID
PubChem CID
10267149
TTD ID
D0S0OV

Molecular Interaction Atlas of This Drug


Drug Therapeutic Target (DTT)
DTT Name DTT ID UniProt ID MOA REF
Aromatase (CYP19A1) TTSZLWK CP19A_HUMAN Inhibitor [1]
Molecular Interaction Atlas (MIA) Jump to Detail Molecular Interaction Atlas of This Drug

References

1 Synthesis and evaluation of 4-triazolylflavans as new aromatase inhibitors. Bioorg Med Chem Lett. 2004 Oct 18;14(20):5215-8.