General Information of the Compound
Compound ID
CP0038501
Compound Name
4-Phenylbutyrohydroxamic acid
    Show/Hide
Synonyms
32153-46-1
4-Phenylbutyrohydroxamic acid
4-Phenylbutyryl hydroxamic acid
4-phenylbutanehydroxamic acid
AC1L5RDX
AC1Q5QD1
AC1Q7DIW
AKOS009266186
BCB03_000829
BDBM50015142
Benzenebutanamide, N-hydroxy-
CHEMBL55895
CTK4G8310
DTXSID60185943
EN300-68596
MCULE-9765156954
MolPort-011-492-164
N-Hydroxy-4-phenyl-butyramide
N-Hydroxy-4-phenylbutanamide
NE28489
NSC 131300
NSC-131300
NSC131300
Phenylbutyrylhydroxamic Acid
QX182FOM5S
SCHEMBL1350853
STL301752
UNII-QX182FOM5S
UPHXPXYRKPCXHK-UHFFFAOYSA-N
ZINC4962622
    Show/Hide
Structure
Formula
C10H13NO2
Molecular Weight
179.219
Canonical SMILES
ONC(=O)CCCc1ccccc1
    Show/Hide
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)
    Show/Hide
InChIKey
UPHXPXYRKPCXHK-UHFFFAOYSA-N
CAS
32153-46-1
Physicochemical Property
logP
1.5147
Rotatable Bonds
4
Heavy Atom Count
13
Polar Areas
49.33
Hydrogen Bond Donor Count
2
Hydrogen Bond Acceptor Count
2
Complexity
13

"RO5" indicates the cutoff set by lipinski's rule of five:

(1) Molecular weight less than 500 Dalton;

(2) xlogp less than 5;

(3) No more than 5 hbonddonor (Hydrogen Bond Donor Count);

(4) No more than 10 hbondacc (Hydrogen Bond Acceptor Count);

(5) No more than 10 rotbonds (Rotatable Bond Count).

    Show/Hide
Click to Show/Hide the External Link(s) of This Compound
PubChem ID
CID: 279980
SID: 15462604
ChEMBL ID
CHEMBL55895
Map of Molecular Bioactivity Related to the Compound
Map of Molecular Bioactivity Related to the Compound

Compound
Cell Line
Protein

Bioactivity Value:

<= 0.1 μM
> 0.1 μM and <= 10 μM
> 10 μM
Imprecise Activity
Table of Molecular Bioactivities Related to the Compound
Protein ID: PT01743, Polyunsaturated fatty acid 5-lipoxygenase
 Protein Info 
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000194 RBL-1
 Cell Line Info 
Rattus norvegicus (Rat)  1
1
IC50 = 27000 nM
 Bioactivity Info 
   TI
   LI
   LO
   TS
Clinical Information about the Compound
Drug 1 ( 4-Phenylbutyrohydroxamic acid )
Drug Name 4-Phenylbutyrohydroxamic acid
Target(s)
Histone deacetylase 8 (HDAC8)
 Target Info 
Inhibitor
Histone deacetylase 1 (HDAC1)
 Target Info 
Inhibitor
Histone deacetylase 6 (HDAC6)
 Target Info 
Inhibitor
Histone deacetylase 2 (HDAC2)
 Target Info 
Inhibitor