Details of the Drug

General Information of Drug (ID: DMW905K)

Drug Name
9-mercapto-8-oxo-N-phenylnonanamide
Synonyms CHEMBL402451
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) 279.4
Topological Polar Surface Area (xlogp) 3.1
Rotatable Bond Count (rotbonds) 9
Hydrogen Bond Donor Count (hbonddonor) 2
Hydrogen Bond Acceptor Count (hbondacc) 3
Chemical Identifiers
Formula
C15H21NO2S
IUPAC Name
8-oxo-N-phenyl-9-sulfanylnonanamide
Canonical SMILES
C1=CC=C(C=C1)NC(=O)CCCCCCC(=O)CS
InChI
InChI=1S/C15H21NO2S/c17-14(12-19)10-6-1-2-7-11-15(18)16-13-8-4-3-5-9-13/h3-5,8-9,19H,1-2,6-7,10-12H2,(H,16,18)
InChIKey
UJRMRSNAFIQQLD-UHFFFAOYSA-N
Cross-matching ID
PubChem CID
11964503
TTD ID
D09LVY

Molecular Interaction Atlas of This Drug


Drug Therapeutic Target (DTT)
DTT Name DTT ID UniProt ID MOA REF
Histone deacetylase 8 (HDAC8) TTT6LFV HDAC8_HUMAN Inhibitor [1]
Molecular Interaction Atlas (MIA) Jump to Detail Molecular Interaction Atlas of This Drug

References

1 Histone deacetylase inhibitors: from bench to clinic. J Med Chem. 2008 Mar 27;51(6):1505-29.
2 Clinical pipeline report, company report or official report of NatureWise Biotech & Medicals.
3 HDAC inhibitors: a 2013-2017 patent survey.Expert Opin Ther Pat. 2018 Apr 19:1-17.