Details of the Drug

General Information of Drug (ID: DMCZKN7)

Drug Name

4-Phenylbutyrohydroxamic acid

Synonyms

N-Hydroxy-4-phenylbutanamide; 32153-46-1; NSC131300; UNII-QX182FOM5S; QX182FOM5S; 4-phenylbutanehydroxamic acid; CHEMBL55895; 4-Phenylbutyrohydroxamic acid; Benzenebutanamide, N-hydroxy-; NSC 131300; AC1Q7DIW; AC1L5RDX; Phenylbutyrylhydroxamic Acid; AC1Q5QD1; N-Hydroxy-4-phenyl-butyramide; 4-Phenylbutyryl hydroxamic acid; SCHEMBL1350853; CTK4G8310; DTXSID60185943; MolPort-011-492-164; UPHXPXYRKPCXHK-UHFFFAOYSA-N; ZINC4962622; STL301752; BDBM50015142; AKOS009266186; MCULE-9765156954; NSC-131300; NE28489; BCB03_000829; EN300-68596

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)

179.22

Logarithm of the Partition Coefficient (xlogp)

1.7

Rotatable Bond Count (rotbonds)

4

Hydrogen Bond Donor Count (hbonddonor)

2

Hydrogen Bond Acceptor Count (hbondacc)

2

Chemical Identifiers

Formula: C10H13NO2
IUPAC Name: N-hydroxy-4-phenylbutanamide
Canonical SMILES: C1=CC=C(C=C1)CCCC(=O)NO
InChI: InChI=1S/C10H13NO2/c12-10(11-13)8-4-7-9-5-2-1-3-6-9/h1-3,5-6,13H,4,7-8H2,(H,11,12)
InChIKey: UPHXPXYRKPCXHK-UHFFFAOYSA-N

Cross-matching ID

PubChem CID: 279980
CAS Number: 32153-46-1
TTD ID: D02NWS

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 6 (HDAC6)	TT5ZKDI	HDAC6_HUMAN	Inhibitor	[1]
Histone deacetylase 8 (HDAC8)	TTT6LFV	HDAC8_HUMAN	Inhibitor	[1]

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Molecular Interaction Atlas (MIA)

MIA Detail

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)

MEA Detail

Jump to Detail Molecular Expression Atlas of This Drug

References

1	Chemical phylogenetics of histone deacetylases. Nat Chem Biol. 2010 Mar;6(3):238-243.