General Information of the Compound
Compound ID
CP0410453
Compound Name
N-hydroxy-N-methyl-3-naphthalen-2-ylpropanamide
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Synonyms
CHEMBL367401
N-Hydroxy-N-methyl-3-naphthalen-2-yl-propionamide
ZINC28086558
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Structure
Formula
C14H15NO2
Molecular Weight
229.279
Canonical SMILES
CN(O)C(=O)CCc1ccc2ccccc2c1
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InChI
InChI=1S/C14H15NO2/c1-15(17)14(16)9-7-11-6-8-12-4-2-3-5-13(12)10-11/h2-6,8,10,17H,7,9H2,1H3
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InChIKey
BLIBCDZMLZUBQT-UHFFFAOYSA-N
Physicochemical Property
logP
2.62
Rotatable Bonds
3
Heavy Atom Count
17
Polar Areas
40.54
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
2
Complexity
17

"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: 44386825
ChEMBL ID
CHEMBL367401
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 = 380 nM
   TI
   LI
   LO
   TS
Clinical Information about the Compound
Drug 1 ( N-Hydroxy-N-methyl-3-naphthalen-2-yl-propionamide )
Drug Name N-Hydroxy-N-methyl-3-naphthalen-2-yl-propionamide
Target(s)
Arachidonate 5-lipoxygenase (5-LOX)
Inhibitor