General Information of the Compound
Compound ID
CP0381812
Compound Name
5-(Biphenyl-4-yl)-pentanoic acid N-hydroxyamide
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Synonyms
5-(Biphenyl-4-yl)-pentanoic acid N-hydroxyamide
CHEMBL541239
SCHEMBL7045815
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Structure
Formula
C17H19NO2
Molecular Weight
269.344
Canonical SMILES
ONC(=O)CCCCc1ccc(cc1)-c1ccccc1
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InChI
InChI=1S/C17H19NO2/c19-17(18-20)9-5-4-6-14-10-12-16(13-11-14)15-7-2-1-3-8-15/h1-3,7-8,10-13,20H,4-6,9H2,(H,18,19)
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InChIKey
QQLOLMJSVXGPGC-UHFFFAOYSA-N
Physicochemical Property
logP
3.5718
Rotatable Bonds
6
Heavy Atom Count
20
Polar Areas
49.33
Hydrogen Bond Donor Count
2
Hydrogen Bond Acceptor Count
2
Complexity
20

"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).

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PubChem ID
CID: 22915475
SID: 81071448
ChEMBL ID
CHEMBL541239
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: PT00835, Histone deacetylase 2
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000017 HeLa Homo sapiens (Human)  1
1
IC50 = 720 nM
   TI
   LI
   LO
   TS
Cell Viability or Cytotoxicity Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000423 IGROV-1 Homo sapiens (Human)  1
1
IC50 = 9100 nM
   TI
   LI
   LO
   TS
CL000519 NB4 Homo sapiens (Human)  1
1
IC50 = 860 nM
   TI
   LI
   LO
   TS
Clinical Information about the Compound
Drug 1 ( 5-(Biphenyl-4-yl)-pentanoic acid N-hydroxyamide )
Drug Name 5-(Biphenyl-4-yl)-pentanoic acid N-hydroxyamide
Target(s)
Histone deacetylase 2 (HDAC2)
Inhibitor