Details of the Drug

General Information of Drug (ID: DMRN1C6)

• Drug Name: N-hydroxy-8-(naphthalen-2-yl)non-8-enamide
• Synonyms: CHEMBL95535; N-hydroxy-8-(naphthalen-2-yl)non-8-enamide; SCHEMBL3382075; BDBM50114823; 8-Naphthalen-2-yl-non-8-enoic acid hydroxyamide

Indication

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

• Drug Type: Small molecular drug
• #Ro5 Violations (Lipinski): 1:
  Molecular Weight (mw); 297.4
  Logarithm of the Partition Coefficient (xlogp); 5.2
  Rotatable Bond Count (rotbonds); 8
  Hydrogen Bond Donor Count (hbonddonor); 2
  Hydrogen Bond Acceptor Count (hbondacc); 2
• Chemical Identifiers:
  Formula: C19H23NO2
  IUPAC Name: N-hydroxy-8-naphthalen-2-ylnon-8-enamide
  Canonical SMILES: C=C(CCCCCCC(=O)NO)C1=CC2=CC=CC=C2C=C1
  InChI: InChI=1S/C19H23NO2/c1-15(8-4-2-3-5-11-19(21)20-22)17-13-12-16-9-6-7-10-18(16)14-17/h6-7,9-10,12-14,22H,1-5,8,11H2,(H,20,21)
  InChIKey: FMDUQUPDPRRDDD-UHFFFAOYSA-N
• Cross-matching ID:
  PubChem CID: 11822609
  TTD ID: D04XPZ

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.