General Information of the Compound
Compound ID
CP0068791
Compound Name
2-[(2,6-dichloro-3-methylphenyl)amino]benzoic acid
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Synonyms
2-((2,6-Dichloro-3-methylphenyl)amino)benzoic acid
2-(2,6-Dichloro-3-methylphenyl)aminobenzoic acid
2-(2,6-dichloro-3-methylanilino)benzoic acid
2-[(2,6-dichloro-3-methylphenyl)amino]benzoic acid
Acide meclofenamique
Acide meclofenamique [INN-French]
Acido meclofenamico
Acido meclofenamico [INN-Spanish]
Acidum meclofenamicum
Acidum meclofenamicum [INN-Latin]
Arquel
CL 583
INF 4668
INF-4668
Meclofenamate
Meclofenamic acid
Meclofenamic acid (USAN/INN)
Meclofenamic acid [USAN:INN:BAN]
Meclomen (free acid)
Meclophenamic acid
N-(2,6-Dichloro-3-methylphenyl)anthranilic acid
N-(2,6-Dichloro-m-tolyl)anthranilic acid
N-(3-Methyl-2,6-dichlorophenyl)anthranilic acid
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Structure
Formula
C14H11Cl2NO2
Molecular Weight
296.153
Canonical SMILES
Cc1ccc(Cl)c(Nc2ccccc2C(O)=O)c1Cl
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InChI
InChI=1S/C14H11Cl2NO2/c1-8-6-7-10(15)13(12(8)16)17-11-5-3-2-4-9(11)14(18)19/h2-7,17H,1H3,(H,18,19)
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InChIKey
SBDNJUWAMKYJOX-UHFFFAOYSA-N
CAS
644-62-2
Physicochemical Property
logP
4.74362
Rotatable Bonds
3
Heavy Atom Count
19
Polar Areas
49.33
Hydrogen Bond Donor Count
2
Hydrogen Bond Acceptor Count
2
Complexity
19

"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: 4037
SID: 14800267
ChEMBL ID
CHEMBL509
DrugBank ID
DB00939
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 = 24000 nM
 Bioactivity Info 
   TI
   LI
   LO
   TS
Biochemical Assays
1 IC50 = 24000 nM
Protein ID: PT00901, Prostaglandin G/H synthase 2
 Protein Info 
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000012 Sf21
 Cell Line Info 
Spodoptera frugiperda (Fall armyworm)  1
1
IC50 = 11 nM
 Bioactivity Info 
   TI
   LI
   LO
   TS
Biochemical Assays
1 IC50 = 40 nM
2 IC50 = 700 nM
Clinical Information about the Compound
Drug 1 ( Meclofenamic acid )
Drug Name Meclofenamic acid
Indication
Ankylosing spondylitis
Approved
Joint pain
Approved