General Information of the Compound
Compound ID
CP0397782
Compound Name
3-[5-(4-Chloro-phenyl)-1-(4-methoxy-phenyl)-1H-pyrazol-3-yl]-N-hydroxy-N-methyl-propionamide
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Synonyms
103475-41-8
1H-Pyrazole-3-propanamide, 5-(4-chlorophenyl)-N-hydroxy-1-(4-methoxyphenyl)-N-methyl-
5-(4-Chlorophenyl)-N-hydroxy-1-(4-methoxyphenyl)-N-methyl-1H-pyrazole-3-propanamide
5-(p-Chlorophenyl)-1-(p-methoxyphenyl)-N-methylpyrazole-3-propionohydroxamic acid
C20H20ClN3O3
CHEBI:76277
CHEMBL316040
ORF 20485
Orf-20485
RWJ 20485
RWJ-20485
SIL-4R
TEPOXALIN
TZ4OX61974
Tepoxalin
Tepoxalin [USAN:INN]
Tepoxalina
Tepoxalina [Spanish]
Tepoxaline
Tepoxaline [French]
Tepoxalinum [Latin]
UNII-TZ4OX61974
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Structure
Formula
C20H20ClN3O3
Molecular Weight
385.851
Canonical SMILES
COc1ccc(cc1)-n1nc(CCC(=O)N(C)O)cc1-c1ccc(Cl)cc1
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InChI
InChI=1S/C20H20ClN3O3/c1-23(26)20(25)12-7-16-13-19(14-3-5-15(21)6-4-14)24(22-16)17-8-10-18(27-2)11-9-17/h3-6,8-11,13,26H,7,12H2,1-2H3
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InChIKey
XYKWNRUXCOIMFZ-UHFFFAOYSA-N
CAS
103475-41-8
Physicochemical Property
logP
3.9815
Rotatable Bonds
6
Heavy Atom Count
27
Polar Areas
67.59
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
5
Complexity
27

"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: 59757
SID: 12014232
ChEMBL ID
CHEMBL316040
DrugBank ID
DB11466
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 = 150 nM
 Bioactivity Info 
   TI
   LI
   LO
   TS
Clinical Information about the Compound
Drug 1 ( Tepoxalin )
Drug Name Tepoxalin
Indication
Asthma
Phase 2
Target(s)
Arachidonate 5-lipoxygenase (5-LOX)
 Target Info 
Inhibitor