Details of the Drug

General Information of Drug (ID: DMAL1UH)

Drug Name
6-iodo-4'-dimethyaminoflavone
Synonyms
871101-31-4; 2-(4-DIMETHYLAMINOPHENYL)-6-IODO-4-CHROMENONE; CHEMBL375934; 2-(4-dimethylaminophenyl)-6-iodo-chromen-4-one; 2-[4-(Dimethylamino)phenyl]-6-iodo-4H-1-benzopyran-4-one; SCHEMBL4985743; 6-iodo-4'-dimethylaminoflavone; 6-iodo-4''-dimethyaminoflavone; CTK8E3396; DTXSID30468831; MVKVWWKDDYBNOJ-UHFFFAOYSA-N; BDBM50176892; ZINC13675691; RT-007109
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) 391.2
Logarithm of the Partition Coefficient (xlogp) 4.3
Rotatable Bond Count (rotbonds) 2
Hydrogen Bond Donor Count (hbonddonor) 0
Hydrogen Bond Acceptor Count (hbondacc) 3
Chemical Identifiers
Formula
C17H14INO2
IUPAC Name
2-[4-(dimethylamino)phenyl]-6-iodochromen-4-one
Canonical SMILES
CN(C)C1=CC=C(C=C1)C2=CC(=O)C3=C(O2)C=CC(=C3)I
InChI
InChI=1S/C17H14INO2/c1-19(2)13-6-3-11(4-7-13)17-10-15(20)14-9-12(18)5-8-16(14)21-17/h3-10H,1-2H3
InChIKey
MVKVWWKDDYBNOJ-UHFFFAOYSA-N
Cross-matching ID
PubChem CID
11574659
CAS Number
871101-31-4
TTD ID
D0P0CB

Molecular Interaction Atlas of This Drug


Drug Therapeutic Target (DTT)
DTT Name DTT ID UniProt ID MOA REF
Amyloid beta A4 protein (APP) TTE4KHA A4_HUMAN Inhibitor [1]
Molecular Interaction Atlas (MIA) Jump to Detail Molecular Interaction Atlas of This Drug

Molecular Expression Atlas of This Drug

The Studied Disease Discovery agent
ICD Disease Classification N.A.
Molecule Name Molecule Type Gene Name p-value Fold-Change Z-score
Amyloid beta A4 protein (APP) DTT APP 1.60E-02 -0.07 -0.31
Molecular Expression Atlas (MEA) Jump to Detail Molecular Expression Atlas of This Drug

References

1 Radioiodinated flavones for in vivo imaging of beta-amyloid plaques in the brain. J Med Chem. 2005 Nov 17;48(23):7253-60.