General Information of the Compound
Compound ID
CP0402545
Compound Name
3-(4-Butoxy-phenyl)-N-hydroxy-N-methyl-acrylamide
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Synonyms
(E)-3-[4-Butoxyphenyl]-N-methyl-2-propenehydroxamic acid
3-(4-Butoxy-phenyl)-N-hydroxy-N-methyl-acrylamide
BDBM50015130
CHEMBL446362
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Structure
Formula
C14H19NO3
Molecular Weight
249.31
Canonical SMILES
CCCCOc1ccc(\C=C\C(=O)N(C)O)cc1
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InChI
InChI=1S/C14H19NO3/c1-3-4-11-18-13-8-5-12(6-9-13)7-10-14(16)15(2)17/h5-10,17H,3-4,11H2,1-2H3/b10-7+
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InChIKey
HAQOPUCXUDNSDH-JXMROGBWSA-N
Physicochemical Property
logP
2.7263
Rotatable Bonds
6
Heavy Atom Count
18
Polar Areas
49.77
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
3
Complexity
18

"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: 44387153
ChEMBL ID
CHEMBL446362
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 = 100 nM
   TI
   LI
   LO
   TS
Clinical Information about the Compound
Drug 1 ( 3-(4-Butoxy-phenyl)-N-hydroxy-N-methyl-acrylamide )
Drug Name 3-(4-Butoxy-phenyl)-N-hydroxy-N-methyl-acrylamide
Target(s)
Arachidonate 5-lipoxygenase (5-LOX)
Inhibitor