Details of the Drug

General Information of Drug (ID: DMIC2A8)

• Drug Name: N-hydroxy-9-oxo-9-phenylnonanamide
• Synonyms: CHEMBL99810; N-hydroxy-9-oxo-9-phenylnonanamide; SCHEMBL1521077; BDBM50114824; 9-Oxo-9-phenyl-nonanoic acid hydroxyamide

Indication

Disease Entry	ICD 11	Status	REF
Discovery agent	N.A.	Investigative	[1]

• Drug Type: Small molecular drug
• #Ro5 Violations (Lipinski): 0:
  Molecular Weight (mw); 263.33
  Logarithm of the Partition Coefficient (xlogp); 2.6
  Rotatable Bond Count (rotbonds); 9
  Hydrogen Bond Donor Count (hbonddonor); 2
  Hydrogen Bond Acceptor Count (hbondacc); 3
• Chemical Identifiers:
  Formula: C15H21NO3
  IUPAC Name: N-hydroxy-9-oxo-9-phenylnonanamide
  Canonical SMILES: C1=CC=C(C=C1)C(=O)CCCCCCCC(=O)NO
  InChI: InChI=1S/C15H21NO3/c17-14(13-9-5-4-6-10-13)11-7-2-1-3-8-12-15(18)16-19/h4-6,9-10,19H,1-3,7-8,11-12H2,(H,16,18)
  InChIKey: ZCJNQRRQDXSGEO-UHFFFAOYSA-N
• Cross-matching ID:
  PubChem CID: 11139963
  TTD ID: D0Z2VP

Molecular Interaction Atlas of This Drug

Drug Therapeutic Target (DTT)

DTT Name	DTT ID	UniProt ID	MOA	REF
Histone deacetylase 1 (HDAC1)	TT6R7JZ	HDAC1_HUMAN	Inhibitor	[1]

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
Histone deacetylase 1 (HDAC1)	DTT	HDAC1	6.27E-01	0.11	0.33

References

• [1] 3D-QSAR studies of HDACs inhibitors using pharmacophore-based alignment. Eur J Med Chem. 2009 Jul;44(7):2868-76.