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
ChEBI ID
CHEMBL95919
TTD ID
D0J3PK
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.