General Information of the Compound
Compound ID
CP0177200
Compound Name
N-hydroxy-4-naphthalen-1-ylbenzamide
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Synonyms
N-Hydroxy-4-naphthalen-1-yl-benzamide
N-hydroxy-4-(naphthalen-1-yl)benzamide
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Structure
Formula
C17H13NO2
Molecular Weight
263.296
Canonical SMILES
ONC(=O)c1ccc(cc1)-c1cccc2ccccc12
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InChI
InChI=1S/C17H13NO2/c19-17(18-20)14-10-8-13(9-11-14)16-7-3-5-12-4-1-2-6-15(12)16/h1-11,20H,(H,18,19)
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InChIKey
PKQVYJOPUCLLCD-UHFFFAOYSA-N
Physicochemical Property
logP
3.6258
Rotatable Bonds
2
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: 17748273
SID: 28671056
ChEMBL ID
CHEMBL156887
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
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000194 RBL-1 Rattus norvegicus (Rat)  1
1
IC50 = 180 nM
   TI
   LI
   LO
   TS
Clinical Information about the Compound
Drug 1 ( N-hydroxy-4-(naphthalen-1-yl)benzamide )
Drug Name N-hydroxy-4-(naphthalen-1-yl)benzamide
Target(s)
Histone deacetylase 8 (HDAC8)
Inhibitor
Arachidonate 5-lipoxygenase (5-LOX)
Inhibitor