General Information of the Compound
Compound ID
CP0448558
Compound Name
(E)-N-hydroxy-N-(4-methylphenyl)-3-naphthalen-2-ylprop-2-enamide
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Synonyms
(E)-3-(2-Naphthalenyl)-N-(4-methylphenyl)-2-propenehydroxamic acid
BDBM50015103
CHEMBL366714
N-Hydroxy-3-naphthalen-2-yl-N-p-tolyl-acrylamide
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Structure
Formula
C20H17NO2
Molecular Weight
303.361
Canonical SMILES
Cc1ccc(cc1)N(O)C(=O)\C=C\c1ccc2ccccc2c1
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InChI
InChI=1S/C20H17NO2/c1-15-6-11-19(12-7-15)21(23)20(22)13-9-16-8-10-17-4-2-3-5-18(17)14-16/h2-14,23H,1H3/b13-9+
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InChIKey
MXCQZPFMNOZXSH-UKTHLTGXSA-N
Physicochemical Property
logP
4.58382
Rotatable Bonds
3
Heavy Atom Count
23
Polar Areas
40.54
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
2
Complexity
23

"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: 44386467
ChEMBL ID
CHEMBL366714
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 = 280 nM
   TI
   LI
   LO
   TS
Clinical Information about the Compound
Drug 1 ( N-Hydroxy-3-naphthalen-2-yl-N-p-tolyl-acrylamide )
Drug Name N-Hydroxy-3-naphthalen-2-yl-N-p-tolyl-acrylamide
Target(s)
Arachidonate 5-lipoxygenase (5-LOX)
Inhibitor