General Information of the Compound
Compound ID
CP0845531
Compound Name
NAFAZATROM
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Synonyms
2,4-Dihydro-5-methyl-2-(2-(2-naphthalenyloxy)ethyl)-3H-pyrazol-3-one
3-Methyl-1-(2-(2-naphthyloxy)ethyl)-2-pyrazolin-5-one
3H-Pyrazol-3-one, 2,4-dihydro-5-methyl-2-(2-(2-naphthalenyloxy)ethyl)-
5-methyl-2-(2-naphthalen-2-yloxyethyl)-4H-pyrazol-3-one
59040-30-1
AC1L28U1
BAY g 6575
BRN 0665222
Bay-g 6575
Bay-g-6575
DTXSID00207794
EINECS 261-571-1
K94216221B
NAFAZATROM
Nafazatrom [BAN:INN]
Nafazatrom [INN:BAN]
Nafazatromum
Nafazatromum [INN-Latin]
Oprea1_097893
SCHEMBL93681
UNII-K94216221B
ZINC1764
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Structure
Formula
C16H16N2O2
Molecular Weight
268.316
Canonical SMILES
CC1=NN(CCOc2ccc3ccccc3c2)C(=O)C1
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InChI
InChI=1S/C16H16N2O2/c1-12-10-16(19)18(17-12)8-9-20-15-7-6-13-4-2-3-5-14(13)11-15/h2-7,11H,8-10H2,1H3
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InChIKey
ISBUYSPRIJRBKX-UHFFFAOYSA-N
CAS
59040-30-1
Physicochemical Property
logP
2.8268
Rotatable Bonds
4
Heavy Atom Count
20
Polar Areas
41.9
Hydrogen Bond Donor Count
0
Hydrogen Bond Acceptor Count
3
Complexity
20

"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: 42923
SID: 14799208
ChEMBL ID
CHEMBL8425
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
 Protein Info 
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000194 RBL-1
 Cell Line Info 
Rattus norvegicus (Rat)  1
1
IC50 = 6000 nM
 Bioactivity Info 
   TI
   LI
   LO
   TS
Clinical Information about the Compound
Drug 1 ( NAFAZATROM )
Drug Name NAFAZATROM
Target(s)
Arachidonate 5-lipoxygenase (5-LOX)
 Target Info 
Inhibitor