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
ChEBI ID
CHEMBL95109
TTD ID
D0S0OV
Drug-Molecule Activity Atlas (DMA)NEW Click to Jump to the Detailed DMA Information of This Drug

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.