General Information of the Compound
Compound ID
CP0448972
Compound Name
N-hydroxy-3-naphthalen-2-ylpropanamide
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Synonyms
BDBM50015120
CHEMBL154998
N-Hydroxy-3-naphthalen-2-yl-propionamide
SCHEMBL10362477
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Structure
Formula
C13H13NO2
Molecular Weight
215.252
Canonical SMILES
ONC(=O)CCc1ccc2ccccc2c1
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InChI
InChI=1S/C13H13NO2/c15-13(14-16)8-6-10-5-7-11-3-1-2-4-12(11)9-10/h1-5,7,9,16H,6,8H2,(H,14,15)
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InChIKey
FUEAAJNBAJRTSE-UHFFFAOYSA-N
Physicochemical Property
logP
2.2778
Rotatable Bonds
3
Heavy Atom Count
16
Polar Areas
49.33
Hydrogen Bond Donor Count
2
Hydrogen Bond Acceptor Count
2
Complexity
16

"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: 13687220
ChEMBL ID
CHEMBL154998
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 = 9700 nM
   TI
   LI
   LO
   TS
Clinical Information about the Compound
Drug 1 ( N-Hydroxy-3-naphthalen-2-yl-propionamide )
Drug Name N-Hydroxy-3-naphthalen-2-yl-propionamide
Target(s)
Arachidonate 5-lipoxygenase (5-LOX)
Inhibitor