Details of the Drug

General Information of Drug (ID: DMJKF17)

Drug Name
4-Imidazol-1-yl-2-phenyl-chroman-7-ol
Synonyms CHEMBL95919; 4-imidazol-1-yl-2-phenyl-chroman-7-ol
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) 292.3
Logarithm of the Partition Coefficient (xlogp) 2.9
Rotatable Bond Count (rotbonds) 2
Hydrogen Bond Donor Count (hbonddonor) 1
Hydrogen Bond Acceptor Count (hbondacc) 3
Chemical Identifiers
Formula
C18H16N2O2
IUPAC Name
4-imidazol-1-yl-2-phenyl-3,4-dihydro-2H-chromen-7-ol
Canonical SMILES
C1C(C2=C(C=C(C=C2)O)OC1C3=CC=CC=C3)N4C=CN=C4
InChI
InChI=1S/C18H16N2O2/c21-14-6-7-15-16(20-9-8-19-12-20)11-17(22-18(15)10-14)13-4-2-1-3-5-13/h1-10,12,16-17,21H,11H2
InChIKey
ZVMPYRSCCMHXRC-UHFFFAOYSA-N
Cross-matching ID
PubChem CID
11779089
TTD ID
D0J3PK

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.