Details of the Drug

General Information of Drug (ID: DM516NE)

Drug Name
8-Phenyl-octanoic acid hydroxyamide
Synonyms 8-Phenyl-octanoic acid hydroxyamide; CHEMBL123624; N-Hydroxy-8-phenyloctanamide; SCHEMBL5807174
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) 235.32
Logarithm of the Partition Coefficient (xlogp) 3.4
Rotatable Bond Count (rotbonds) 8
Hydrogen Bond Donor Count (hbonddonor) 2
Hydrogen Bond Acceptor Count (hbondacc) 2
Chemical Identifiers
Formula
C14H21NO2
IUPAC Name
N-hydroxy-8-phenyloctanamide
Canonical SMILES
C1=CC=C(C=C1)CCCCCCCC(=O)NO
InChI
InChI=1S/C14H21NO2/c16-14(15-17)12-8-3-1-2-5-9-13-10-6-4-7-11-13/h4,6-7,10-11,17H,1-3,5,8-9,12H2,(H,15,16)
InChIKey
JUCDFXVDGUXPMJ-UHFFFAOYSA-N
Cross-matching ID
PubChem CID
14098189
TTD ID
D0H9DS

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]
Histone deacetylase 2 (HDAC2) TTSHTOI HDAC2_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
Histone deacetylase 1 (HDAC1) DTT HDAC1 6.27E-01 0.11 0.33
Molecular Expression Atlas (MEA) Jump to Detail Molecular Expression Atlas of This Drug

References

1 A novel series of histone deacetylase inhibitors incorporating hetero aromatic ring systems as connection units. Bioorg Med Chem Lett. 2003 Nov 3;13(21):3817-20.