Details of the Drug

General Information of Drug (ID: DMYL0ZF)

Drug Name
5-hydroxy-2-(4-dimethylaminophenyl)benzofuran
Synonyms CHEMBL204414; 5-hydroxy-2-(4-dimethylaminophenyl)benzofuran; CTK7J9733; ZINC13686356; BDBM50185950; AKOS015966036
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) 253.29
Topological Polar Surface Area (xlogp) 3.8
Rotatable Bond Count (rotbonds) 2
Hydrogen Bond Donor Count (hbonddonor) 1
Hydrogen Bond Acceptor Count (hbondacc) 3
Chemical Identifiers
Formula
C16H15NO2
IUPAC Name
2-[4-(dimethylamino)phenyl]-1-benzofuran-5-ol
Canonical SMILES
CN(C)C1=CC=C(C=C1)C2=CC3=C(O2)C=CC(=C3)O
InChI
InChI=1S/C16H15NO2/c1-17(2)13-5-3-11(4-6-13)16-10-12-9-14(18)7-8-15(12)19-16/h3-10,18H,1-2H3
InChIKey
ZEWYMVJDOSXOEG-UHFFFAOYSA-N
Cross-matching ID
PubChem CID
11543378
TTD ID
D0C9QW

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 Novel benzofuran derivatives for PET imaging of beta-amyloid plaques in Alzheimer's disease brains. J Med Chem. 2006 May 4;49(9):2725-30.
2 Drugs@FDA. U.S. Food and Drug Administration. U.S. Department of Health & Human Services. 2015
3 Curcumin and dehydrozingerone derivatives: synthesis, radiolabeling, and evaluation for beta-amyloid plaque imaging. J Med Chem. 2006 Oct 5;49(20):6111-9.
4 Clinical pipeline report, company report or official report of the Pharmaceutical Research and Manufacturers of America (PhRMA)
5 Phase 3 trials of solanezumab for mild-to-moderate Alzheimer's disease. N Engl J Med. 2014 Jan 23;370(4):311-21.
6 Passive anti-amyloid immunotherapy in Alzheimer's disease: What are the most promising targets . Immun Ageing. 2013; 10: 18.
7 Targeting soluble Abeta peptide with Tramiprosate for the treatment of brain amyloidosis. Neurobiol Aging. 2007 Apr;28(4):537-47.
8 Bapineuzumab: anti-beta-amyloid monoclonal antibodies for the treatment of Alzheimer's disease. Immunotherapy. 2010 Nov;2(6):767-82.
9 Clinical pipeline report, company report or official report of the Pharmaceutical Research and Manufacturers of America (PhRMA)
10 Clinical pipeline report, company report or official report of the Pharmaceutical Research and Manufacturers of America (PhRMA)
11 URL: http://www.guidetopharmacology.org Nucleic Acids Res. 2015 Oct 12. pii: gkv1037. The IUPHAR/BPS Guide to PHARMACOLOGY in 2016: towards curated quantitative interactions between 1300 protein targets and 6000 ligands. (Target id: 2402).