General Information of the Compound
Compound ID
CP0047127
Compound Name
5-chloro-N-(2-chloro-4-nitrophenyl)-2-hydroxybenzamide
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Synonyms
2',5-Dichloro-4'-nitrosalicylanilide
5-Chloro-2'-chloro-4'-nitrosalicylanilide
5-Chloro-N-(2-chloro-4-nitrophenyl)-2-hydroxybenzamide
50-65-7
Atenase
BAY 2353
Bayer 2353
Bayer 73
Bayluscid
Benzamide, 5-chloro-N-(2-chloro-4-nitrophenyl)-2-hydroxy-
Cestocid
Chemagro 2353
Devermin
Devermine
Dichlosale
Fedal-Telmin
Fenasal
HL 2447
Helmiantin
Iomesan
Iomezan
Lintex
Mansonil
Mato
Nasemo
Niclocide
Niclosamide
Niclosamidum [I
Phenasal
Radeverm
Radewerm
Sagimid
Sulqui
Tredemine
Vermitid
Yomesan
Zestocarp
niclosamide
nicolsamide
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Structure
Formula
C13H8Cl2N2O4
Molecular Weight
327.123
Canonical SMILES
Oc1ccc(Cl)cc1C(=O)Nc1ccc(cc1Cl)[N+]([O-])=O
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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)
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InChIKey
RJMUSRYZPJIFPJ-UHFFFAOYSA-N
CAS
50-65-7
Physicochemical Property
logP
3.8595
Rotatable Bonds
3
Heavy Atom Count
21
Polar Areas
92.47
Hydrogen Bond Donor Count
2
Hydrogen Bond Acceptor Count
4
Complexity
21

"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: 4477
SID: 14924163
ChEMBL ID
CHEMBL1448
DrugBank ID
DB06803
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: PT06716, Anoctamin-1
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000259 FRT Rattus norvegicus (Rat)  1
1
IC50 = 28 nM
   TI
   LI
   LO
   TS
Protein ID: PT06109, Geminin
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000015 SW480 Homo sapiens (Human)  1
1
Potency ~ 2059.6 nM
   TI
   LI
   LO
   TS
Protein ID: PT02997, Isocitrate dehydrogenase [NADP] cytoplasmic
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000156 HT-1080 Homo sapiens (Human)  1
1
Potency ~ 366.3 nM
   TI
   LI
   LO
   TS
Protein ID: PT01065, Serine/threonine-protein kinase mTOR
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL001056 MEF-1 [Mouse fibroblast] Mus musculus (Mouse)  1
1
Potency = 1166.8 nM
   TI
   LI
   LO
   TS
Cell Viability or Cytotoxicity Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000007 HT-29 Homo sapiens (Human)  1
1
IC50 = 7200 nM
   TI
   LI
   LO
   TS
CL000017 HeLa Homo sapiens (Human)  1
1
IC50 = 1400 nM
   TI
   LI
   LO
   TS
CL000052 A-431 Homo sapiens (Human)  1
1
IC50 = 8800 nM
   TI
   LI
   LO
   TS
CL000119 DU145 Homo sapiens (Human)  1
1
IC50 = 700 nM
   TI
   LI
   LO
   TS
Clinical Information about the Compound
Drug 1 ( Niclosamide )
Drug Name Niclosamide
Indication
Cestodes infection
Approved