General Information of the Compound
Compound ID
CP0126631
Compound Name
N,N'-dihydroxyoctanediamide
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Synonyms
Octanedioic acid bis-hydroxyamide
Suberohydroxamic acid
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Structure
Formula
C8H16N2O4
Molecular Weight
204.226
Canonical SMILES
ONC(=O)CCCCCCC(=O)NO
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InChI
InChI=1S/C8H16N2O4/c11-7(9-13)5-3-1-2-4-6-8(12)10-14/h13-14H,1-6H2,(H,9,11)(H,10,12)
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InChIKey
IDQPVOFTURLJPT-UHFFFAOYSA-N
Physicochemical Property
logP
0.3378
Rotatable Bonds
7
Heavy Atom Count
14
Polar Areas
98.66
Hydrogen Bond Donor Count
4
Hydrogen Bond Acceptor Count
4
Complexity
14

"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: 5173
SID: 14797564
ChEMBL ID
CHEMBL320497
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: PT01213, Histone deacetylase 6
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000017 HeLa Homo sapiens (Human)  1
1
EC50 = 1100 nM
   TI
   LI
   LO
   TS
Biochemical Assays
1 IC50 = 2030 nM
2 Ki = 14.5 nM
Clinical Information about the Compound
Drug 1 ( Octanedioic acid bis-hydroxyamide )
Drug Name Octanedioic acid bis-hydroxyamide
Target(s)
Histone deacetylase 2 (HDAC2)
Inhibitor
Histone deacetylase 6 (HDAC6)
Inhibitor
Histone deacetylase 1 (HDAC1)
Inhibitor
Histone deacetylase 4 (HDAC4)
Inhibitor
Histone deacetylase 8 (HDAC8)
Inhibitor