General Information of the Compound
Compound ID
CP0467630
Compound Name
(E)-N-hydroxy-2-methyl-3-naphthalen-2-ylprop-2-enamide
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Synonyms
(E)-2-Methyl-3-(2-naphthalenyl)-2-propenehydroximic acid
BDBM50015187
CHEMBL367336
N-Hydroxy-2-methyl-3-naphthalen-2-yl-acrylamide
ZINC28109710
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Structure
Formula
C14H13NO2
Molecular Weight
227.263
Canonical SMILES
C\C(=C/c1ccc2ccccc2c1)C(=O)NO
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InChI
InChI=1S/C14H13NO2/c1-10(14(16)15-17)8-11-6-7-12-4-2-3-5-13(12)9-11/h2-9,17H,1H3,(H,15,16)/b10-8+
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InChIKey
NPYWWIHEHONKOF-CSKARUKUSA-N
Physicochemical Property
logP
2.7485
Rotatable Bonds
2
Heavy Atom Count
17
Polar Areas
49.33
Hydrogen Bond Donor Count
2
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: 20238032
ChEMBL ID
CHEMBL367336
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 = 1800 nM
   TI
   LI
   LO
   TS
Clinical Information about the Compound
Drug 1 ( N-Hydroxy-2-methyl-3-naphthalen-2-yl-acrylamide )
Drug Name N-Hydroxy-2-methyl-3-naphthalen-2-yl-acrylamide
Target(s)
Arachidonate 5-lipoxygenase (5-LOX)
Inhibitor