DICL_CP_0336886 - DICL Database

Basic Molecular Information

Basic Information

DICL ID

DICL_CP_0336886

PubChem CID

4477

Molecular Formula

C₁₃H₈Cl₂N₂O₄

Molecular Weight

327.123 g/mol

Synonyms/Alias

[niclosamide; 50-65-7; 5-Chloro-N-(2-chloro-4-nitrophenyl)-2-hydroxybenzamide; Niclocide; Bayluscid; Phenasal; Cestocid; Devermin; Devermine; Helmiantin; Mansonil; Radeverm; Tredemine; Vermitid; Atena...[niclosamide; 50-65-7; 5-Chloro-N-(2-chloro-4-nitrophenyl)-2-hydroxybenzamide; Niclocide; Bayluscid; Phenasal; Cestocid; Devermin; Devermine; Helmiantin; Mansonil; Radeverm; Tredemine; Vermitid; Atenase; Fenasal; Iomesan; Iomezan; Lintex; Nasemo; Sagimid; Sulqui; Yomesan; Mato; Fedal-Telmin; 2;5-Dichloro-4-nitrosalicylanilide; Zestocarp; Bayer 73; BAY 2353; Bayer 2353; Chemagro 2353; C13H8Cl2N2O4; Benzamide; 5-chloro-N-(2-chloro-4-nitrophenyl)-2-hydroxy-; Niclosamida; Niclosamidum; Niclosamide (anhydrous); WR 46234; 5-Chloro-2-chloro-4-nitrosalicylanilide; HL 2447; Nitrophenyl chlorsalicylamide; Niclosamide; anhydrous; ENT 25823; nicolsamide; CCRIS 3437; 2-Hydroxy-5-chloro-N-(2-chloro-4-nitrophenyl)benzamide; HSDB 1572; N-(2-Chloro-4-nitrophenyl)-5-chlorosalicylamide; 2-Chloro-4-nitrophenylamide-6-chlorosalicylic acid; SR 73; Niclosamidum [INN-Latin]; Salicylanilide; 2;5-dichloro-4-nitro-; 2;5-Dichlor-4-nitro-salizylsaeureanilid; UNII-8KK8CQ2K8G; Niclosamida [INN-Spanish]; EINECS 200-056-8; 8KK8CQ2K8G; NSC 178296; NSC-178296; BRN 2820605; Niclosamide Anhydrous; Niclosamidum anhydrous; 5-Chloro-N-(2-chloro-4-nitrophenyl)salicylamide; AI3-25823; 5-Chlorosalicyloyl-(o-chloro-p-nitranilide); BAY-2353; B 2353; N-(2-Chlor-4-nitrophenyl)-5-chlorsalicylamid; CHEBI:7553; DTXSID7040362; Radewerm; N-(2-Chloro-4-nitrophenyl)-5-chlorosalicylamide; MFCD00057597; CAS-50-65-7; NCGC00015735-07; Niclosamide 100 microg/mL in Acetonitrile; VU0243604; Niclosamidum (INN-Latin); Niclosamida (INN-Spanish); NICLOSAMIDE (MART.); NICLOSAMIDE [MART.]; DTXCID5020362; Cestocide; NICLOSAMIDE (EP MONOGRAPH); NICLOSAMIDE [EP MONOGRAPH]; Niclosamide [ISO]; Niclosamide [USAN:INN:BAN]; NICLOSAMIDE; ANHYDROUS (EP IMPURITY); NICLOSAMIDE; ANHYDROUS [EP IMPURITY]; SR-01000076024; Niclosamide [BSI:ISO]; 5-Chloro-N-(2-chloro-4-nitrophenyl)-2-hydroxy-benzamide; Utosamide; Yomensan; niclo-samide; Niclocide (TN); Prestwick_354; 2;5-Dichlor-4-nitro-salizylsaeureanilid [German]; Mollutox (Salt/Mix); N-(2-Chlor-4-nitrophenyl)-5-chlorsalicylamid [German]; Spectrum_000239; Niclosamide (Niclocide); Clonitralid (Salt/Mix); Clonitralide (Salt/Mix); NICLOSAMIDE [MI]; Prestwick0_000040; Prestwick1_000040; Prestwick2_000040; Prestwick3_000040; Spectrum2_001183; Spectrum3_000667; Spectrum4_000196; Spectrum5_001083; Lopac-N-3510; NICLOSAMIDE [INN]; Niclosamide (USAN/INN); NICLOSAMIDE [HSDB]; NICLOSAMIDE [USAN]; NICLOSAMIDE [VANDF]; CHEMBL1448; Lopac0_000866; Oprea1_259151; SCHEMBL67182; BSPBio_000139; BSPBio_002333; KBioGR_000771; KBioSS_000719; NICLOSAMIDE [WHO-DD]; MLS002154181; DivK1c_000709; SPECTRUM1503265; SPBio_001225; SPBio_002060; BPBio1_000153; GTPL8494; NICLOSAMIDE [GREEN BOOK]; SCHEMBL18563900; WLN: WNR CG DMVR BQ EG; BDBM11242; HMS502D11; KBio1_000709; KBio2_000719; KBio2_003287; KBio2_005855; KBio3_001553; 5-Chloro-N-(2-chloro-4-nitro-phenyl)-2-hydroxy-benzamide; Niclosamide - CAS 50-65-7; NICLOSAMIDE [ORANGE BOOK]; P02DA01; NINDS_000709; BDBM513089; HMS1568G21; HMS2093A21; HMS2095G21; HMS2231H06; HMS3262N13; HMS3373P08; HMS3712G21; KUC107299N; Pharmakon1600-01503265; BCP22958; HY-B0497; Tox21_110209; Tox21_300749; Tox21_500866; BBL004110; CCG-39641; HB1435; NSC178296; NSC758440; s3030; Salicylanilide;5-dichloro-4-nitro-; STK396676; 2;5-dichloro-4-nitrosalicylanilide ?; AKOS003589004; NICLOSAMIDE ANHYDROUS [WHO-IP]; Tox21_110209_1; AT15436; BCP9000068; DB06803; KS-5210; LP00866; NSC-758440; SB19414; SDCCGSBI-0050841.P004; 2;5-Dichloro-4-nitrosalicylanilide; IDI1_000709; SMP2_000228; 5-chloro-N-(2-chloro-4-nitrophenyl)-; NCGC00015735-01; NCGC00015735-02; NCGC00015735-03; NCGC00015735-04; NCGC00015735-05; NCGC00015735-06; NCGC00015735-08; NCGC00015735-09; NCGC00015735-11; NCGC00015735-12; NCGC00015735-24; NCGC00094190-01; NCGC00094190-02; NCGC00094190-03; NCGC00094190-04; NCGC00254654-01; NCGC00261551-01; KSC-18-157-2; SMR000058390; SBI-0050841.P003; DB-051812; AB00052340; EU-0100866; NICLOSAMIDUM ANHYDROUS [WHO-IP LATIN]; NS00000613; 2;5-dichloro-2-hydroxy-4-nitrobenzanilide; EN300-92958; D00436; N 3510; AB00052340_08; AB00052340_09; A828227; Q418523; Q-201469; SR-01000076024-1; SR-01000076024-3; SR-01000076024-6; BRD-K35960502-001-06-9; BRD-K35960502-001-11-9; Z57902203; 5-Chloro-N-(2-chloro-4-nitrophenyl) -2-hydroxybenzamide; 5-chloranyl-N-(2-chloranyl-4-nitro-phenyl)-2-oxidanyl-benzamide; Niclosamide (anhydrous); European Pharmacopoeia (EP) Reference Standard; VUT]

InChI Key

RJMUSRYZPJIFPJ-UHFFFAOYSA-N

InChI

InChI=1S/C13H8Cl2N2O4/c14-7-1-4-12(18)9(5-7)13(19)16-11-3-2-8(17(20)21)6-10(11)15/h1-6,18H,(H,16,19)

IUPAC Name

5-chloro-N-(2-chloro-4-nitrophenyl)-2-hydroxybenzamide

CAS Number

50-65-7

Structure Information

Chemical Structure Visualization

SMILES Notation

2D Molecular Drawing

Carbon (C)

Hydrogen (H)

Oxygen (O)

Nitrogen (N)

Sulfur (S)

SDF

29 30 0 0 0 0 0 0 0 0999 V2000
-3.6074 0.7968 0.7157 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.2174 0.8790 0.6053 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.4987 -0.097...

Download SDF File (2523 bytes)

Experimental Data

Activity Data

Target Ion Channel

Potassium channel subfamily T member 1 (Slo2.2)

Uniprot Accession Number

Q5JUK3

Function

Activator

Species

Homo sapiens (Human)

IC₅₀

IC₅₀: 2900 nM

EC₅₀

N/A (Not available)

K_i

N/A (Not available)

K_d

N/A (Not available)

Inhibition

N/A (Not available)

Experimental Conditions

pH 7.4

Holding Potential

−90 to 20 mV mV

Temperature

Room Temperature

Test Method

Patch-clamping

Test Species

CHO cell (Chinese hamster ovary cell)

Binding Information

Binding Site

Not specified

Binding Site Residue

Not specified

Disease Information

Related Disease

Not specified

References

DOI

10.1124/jpet.111.184622

URL

N/A (Not available)

PMID

22171093

Patent

N/A (Not available)

Computed Properties

Heavy Atom Count

Rotatable Bonds

logP

3.8595

Complexity

79.1764

TPSA (Å²)

92.47

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