Details of the Drug

General Information of Drug (ID: DMWM1UL)

Drug Name

8-Oxo-8-phenyl-octanoic acid hydroxyamide

Synonyms

CHEMBL95959; 8-Oxo-8-phenyl-octanoic acid hydroxyamide; SCHEMBL3383197; N-hydroxy-8-oxo-8-phenyloctanamide

Indication

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

Small molecular drug

Structure

3D MOL

2D MOL

#Ro5 Violations (Lipinski): 0

Molecular Weight (mw)

249.3

Logarithm of the Partition Coefficient (xlogp)

2.1

Rotatable Bond Count (rotbonds)

8

Hydrogen Bond Donor Count (hbonddonor)

2

Hydrogen Bond Acceptor Count (hbondacc)

3

Chemical Identifiers

Formula: C14H19NO3
IUPAC Name: N-hydroxy-8-oxo-8-phenyloctanamide
Canonical SMILES: C1=CC=C(C=C1)C(=O)CCCCCCC(=O)NO
InChI: InChI=1S/C14H19NO3/c16-13(12-8-4-3-5-9-12)10-6-1-2-7-11-14(17)15-18/h3-5,8-9,18H,1-2,6-7,10-11H2,(H,15,17)
InChIKey: DPHGSTLAQCKOFV-UHFFFAOYSA-N

Cross-matching ID

Molecular Interaction Atlas of This Drug

Drug Therapeutic Target (DTT)

DTT Name	DTT ID	UniProt ID	MOA	REF
Histone deacetylase (HDAC)	TTBH0VX	NOUNIPROTAC	Inhibitor	[1]
Histone deacetylase 1 (HDAC1)	TT6R7JZ	HDAC1_HUMAN	Inhibitor	[1]
Histone deacetylase 2 (HDAC2)	TTSHTOI	HDAC2_HUMAN	Inhibitor	[1]
Histone deacetylase 4 (HDAC4)	TTTQGH8	HDAC4_HUMAN	Inhibitor	[1]
Histone deacetylase 6 (HDAC6)	TT5ZKDI	HDAC6_HUMAN	Inhibitor	[1]

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Molecular Interaction Atlas (MIA)

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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)

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References

1	Histone deacetylase inhibitors. J Med Chem. 2003 Nov 20;46(24):5097-116.