General Information of the Compound
Compound ID
CP0454863
Compound Name
(E)-N-hydroxy-N-methyl-3-naphthalen-1-ylprop-2-enamide
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Synonyms
BDBM50015100
CHEMBL175134
N-Hydroxy-N-methyl-3-naphthalen-1-yl-acrylamide
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Structure
Formula
C14H13NO2
Molecular Weight
227.263
Canonical SMILES
CN(O)C(=O)\C=C\c1cccc2ccccc12
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InChI
InChI=1S/C14H13NO2/c1-15(17)14(16)10-9-12-7-4-6-11-5-2-3-8-13(11)12/h2-10,17H,1H3/b10-9+
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InChIKey
AQTNKWXWVAWKHS-MDZDMXLPSA-N
Physicochemical Property
logP
2.7006
Rotatable Bonds
2
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: 15670548
ChEMBL ID
CHEMBL175134
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 = 210 nM
   TI
   LI
   LO
   TS
Clinical Information about the Compound
Drug 1 ( N-Hydroxy-N-methyl-3-naphthalen-1-yl-acrylamide )
Drug Name N-Hydroxy-N-methyl-3-naphthalen-1-yl-acrylamide
Target(s)
Arachidonate 5-lipoxygenase (5-LOX)
Inhibitor