DICL_CP_0326697 - DICL Database

Basic Molecular Information

Basic Information

DICL ID

DICL_CP_0326697

PubChem CID

3033

Molecular Formula

C₁₄H₁₁Cl₂NO₂

Molecular Weight

296.153 g/mol

Synonyms/Alias

[diclofenac; 15307-86-5; Diclofenac acid; dichlofenac; Diclophenac; Diclofenaco; Diclofenacum; 2-(2-((2;6-Dichlorophenyl)amino)phenyl)acetic acid; ProSorb-D; Diclofenac resinate; Voltarol; Diclofenac ...[diclofenac; 15307-86-5; Diclofenac acid; dichlofenac; Diclophenac; Diclofenaco; Diclofenacum; 2-(2-((2;6-Dichlorophenyl)amino)phenyl)acetic acid; ProSorb-D; Diclofenac resinate; Voltarol; Diclofenac free acid; Zorovolex; Zorvolex; 2-{2-[(2;6-dichlorophenyl)amino]phenyl}acetic acid; Diclofenamic acid; 2-(2;6-Dichloroanilino)phenylacetic Acid; Benzeneacetic acid; 2-[(2;6-dichlorophenyl)amino]-; 2-((2;6-Dichlorophenyl)amino)benzeneacetic acid; 2-[2-(2;6-dichloroanilino)phenyl]acetic acid; CHEBI:47381; HSDB 7234; Benzeneacetic acid; 2-((2;6-dichlorophenyl)amino)-; EINECS 239-348-5; Solaraze; UNII-144O8QL0L1; BRN 2146636; Voltaren-XR; ACETIC ACID; (o-(2;6-DICHLOROANILINO)PHENYL)-; 144O8QL0L1; LAS41007; LAS-41007; 2-[(2;6-Dichlorophenyl)amino]benzeneacetic acid; CHEMBL139; {2-[(2;6-dichlorophenyl)amino]phenyl}acetic acid; 2-[2-(2;6-dichlorophenyl)aminophenyl]ethanoic acid; 2-[2;6-DICHLOROPHENYL)AMINO]BENZENEACETIC ACID; [2-(2;6-Dichloroanilino)phenyl]acetic acid; DTXSID6022923; EC 239-348-5; 15307-86-5 (free); Olfen; MFCD00056694; Dicrofenac; Solaraze (TN); DICLOFENAC (MART.); DICLOFENAC [MART.]; (O-(2;6-DICHLOROANILINO)PHENYL)ACETIC ACID; Enfenamic acid; N-Phenethylanthranilic acid; RH 8; 2-[2-[(2;6-dichlorophenyl)amino]phenyl]acetic acid; (2-((2;6-DICHLOROPHENYL)AMINO)PHENYL)ACETIC ACID; 2-[2-[(2;6-Dichlorophenyl)amino]phenyl]acetic Acid (Diclofenac); Diclofenacum [INN-Latin]; Diclofenaco [INN-Spanish]; DIF; (2-(2;6-dichloroanilino)phenyl)acetic acid; ACECLOFENAC IMPURITY A (EP IMPURITY); ACECLOFENAC IMPURITY A [EP IMPURITY]; (2-((2;6-Dichlorophenyl)amino-phenyl)acetic acid (HD); Diclofenac [USAN:INN:BAN]; ISV-205; Zorvolex (TN); 57 - Pharmaceuticals; Spectrum_000930; DICLOFENAC [MI]; S17 - Pharmaceuticals; DICLOFENAC [INN]; 128402-48-2; Diclofenac (USAN/INN); Prestwick0_000594; Prestwick1_000594; Prestwick2_000594; Prestwick3_000594; Spectrum2_000991; Spectrum3_000385; Spectrum4_000506; Spectrum5_000867; DICLOFENAC [HSDB]; DICLOFENAC [USAN]; DICLOFENAC [VANDF]; Epitope ID:116873; AM01 - Analgesic mixture; SCHEMBL2799; DICLOFENAC [WHO-DD]; Lopac0_000441; Oprea1_011155; BSPBio_000468; BSPBio_002169; KBioGR_001051; KBioGR_002306; KBioSS_001410; KBioSS_002308; MLS006011795; BIDD:GT0380; DivK1c_000272; DivK1c_000402; SPBio_001081; SPBio_002687; BPBio1_000516; DTXCID802923; GTPL2714; DICLOFENAC [ORANGE BOOK]; BDBM13066; HMS501E04; KBio1_000272; KBio1_000402; KBio2_001410; KBio2_002306; KBio2_003978; KBio2_004874; KBio2_006546; KBio2_007442; KBio3_001389; KBio3_002786; M01AB05; M02AA15; S01BC03; 2b17; cMAP_000014; NINDS_000272; NINDS_000402; HMS2090C10; HMS3886F09; BCP09087; BCP13860; s6073; STK984493; AKOS001579542; DB00586; KS-1258; IDI1_000272; IDI1_000402; NCGC00021125-01; NCGC00021125-02; NCGC00021125-11; AC-27673; HY-15036; o-(2;6-dichloroanilino)phenylacetic acid; SMR001550371; SY038623; SBI-0051341.P003; Diclofenac 1000 microg/mL in Acetonitrile; D3748; NS00000212; UNM000001216103; [2-(2;6-Dichloroanilino)phenyl]acetic acid #; C01690; D07816; EN300-119509; H10425; [o-(2;6-dichloro-anilino)-phenyl]-acetic acid; 2-[(2;6-dichlorophenyl)amino]phenylacetic acid; AB01275502-01; AB01275502_02; 2-(2-(2;6-dichlorophenylamino)phenyl)acetic acid; 2-[(2;6-dichlorophenyl)amino]-benzeneacetic acid; 2-[(2;6-dichlorophenyl)amino]-phenyl-acetic acid; Q244408; [2-(2;6-dichloro-phenylamino)-phenyl]-acetic acid; 2-[(2;6-dichlorophenyl)-amino]-benzeneacetic acid; 2-[(2;6-dichlorophenyl)-amino]-phenyl-acetic acid; 2-[2-(2;6-dichlorophenylamino)phenyl]-acetic acid; SR-01000003041-3; 2-[2-(2;6-dichlorophenylamino)-phenyl]-acetic acid; BRD-K08252256-236-05-6; BRD-K08252256-236-17-1; Z57664869; F0722-0745]

InChI Key

DCOPUUMXTXDBNB-UHFFFAOYSA-N

InChI

InChI=1S/C14H11Cl2NO2/c15-10-5-3-6-11(16)14(10)17-12-7-2-1-4-9(12)8-13(18)19/h1-7,17H,8H2,(H,18,19)

IUPAC Name

2-[2-(2,6-dichloroanilino)phenyl]acetic acid

CAS Number

15307-86-5

Structure Information

Chemical Structure Visualization

SMILES Notation

2D Molecular Drawing

Carbon (C)

Hydrogen (H)

Oxygen (O)

Nitrogen (N)

Sulfur (S)

SDF

30 31 0 0 0 0 0 0 0 0999 V2000
-2.2629 -2.6001 -1.0454 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.8813 -2.7768 -1.0022 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.0785 -1.853...

Download SDF File (2580 bytes)

Experimental Data

Activity Data

Target Ion Channel

Calcium activated potassium channel 2 (KCa4.2)

Uniprot Accession Number

Q6UVM3

Function

Activator

Species

Homo sapiens (Human)

IC₅₀

N/A (Not available)

EC₅₀

EC₅₀: 720000 nM

K_i

N/A (Not available)

K_d

N/A (Not available)

Inhibition

N/A (Not available)

Experimental Conditions

pH 7.4

Holding Potential

−140 to 80 mV mV

Temperature

23–25 °C

Test Method

Patch-clamping

Test Species

Xenopus laevis oocyte

Binding Information

Binding Site

Not specified

Binding Site Residue

Not specified

Disease Information

Related Disease

Not specified

References

DOI

10.1124/mol.112.079194

URL

N/A (Not available)

PMID

22851714

Patent

N/A (Not available)

Computed Properties

Heavy Atom Count

Rotatable Bonds

logP

4.3641

Complexity

77.5265

TPSA (Å²)

49.33

H-Bond Donors

H-Bond Acceptors

Ring Count

New Search

Molecular Details

Basic Molecular Information

Basic Information

Structure Information

Chemical Structure Visualization

Experimental Data

Activity Data

Experimental Conditions

Binding Information

Disease Information

References

Computed Properties