General Information of the Compound
Compound ID
CP0068493
Compound Name
(2-{4-[(2-butyl-1-benzofuran-3-yl)carbonyl]-2,6-diiodophenoxy}ethyl)diethylamine
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Synonyms
(2-Butyl-3-benzofuranyl)(4-(2-(diethylamino)ethoxy)-3,5-diidophenyl)methanone
(2-butyl-1-benzofuran-3-yl)(4-{[2-(diethylamino)ethyl]oxy}-3,5-diiodophenyl)methanone
(2-butyl-1-benzofuran-3-yl)-[4-(2-diethylaminoethyloxy)-3,5-diiodophenyl]methanone
(2-butyl-1-benzofuran-3-yl){4-[2-(diethylamino)ethoxy]-3,5-diiodophenyl}methanone
(2-butylbenzofuran-3-yl)-[4-(2-diethylaminoethoxy)-3,5-diiodo-phenyl]-methanone
(2-{4-[(2-butyl-1-benzofuran-3-yl)carbonyl]-2,6-diiodophenoxy}ethyl)diethylamine
1951-25-3
2-Butyl-3-(3,5-diiodo-4-(2-diethylaminoethoxy)benzoyl)benzofuran
2-Butyl-3-(3,5-diiodo-4-(beta-diethylaminoethoxy)benzoyl)benzofuran
2-Butyl-3-(4'-beta-N-diethylaminoethoxy-3',5'-diiodobenzoyl)benzofuran
2-Butyl-3-[3,5-diiodo-4-(2-di
2-Butyl-3-benzofuranyl 4-(2-(diethylamino)ethoxy)-3,5-diiodophenyl ketone
2-Butyl-3-benzofuranyl p-((2-diethylamino)ethoxy)-m,m-diiodophenyl ketone
2-Butyl-3-benzofuranyl p-[(2-diethylamino)ethoxy]-m,m-diiodophenyl ketone
2-n-Butyl-3',5'-diiodo-4'-N-diethylaminoethoxy-3-benzoylbenzofuran
ASTA Medica Brand of Amiodarone Hydrochloride
Alphapharm Brand of Amiodarone Hydrochloride
Amidorone
Aminodarone
Amio-Aqueous IV
Amiobeta
Amiodarex
Amiodarona
Amiodarona [INN-Spanish]
Amiodarone
Amiodarone (USAN/INN)
Amiodarone Base
Amiodarone [USAN:BAN:INN]
Amiodarons
Amiodaronum
Amiodaronum [INN-Latin]
Amiohexal
Amjodaronum
Ancar
Aratac (TN)
Aratac;Arycor
Armstrong Brand of Amiodarone Hydrochloride
Arycor (TN)
Atlansil (TN)
BRN 1271711
Berenguer Infale Brand of Amiodarone Hydrochloride
Betapharm Brand of Amiodarone Hydrochloride
Braxan
C25H29I2NO3
CHEMBL633
Corbionax
Cordarex
Cordarone
Cordarone (TN)
Cordarone Intravenous
EINECS 217-772-1
Ethylaminoethoxy)benzoyl]benzofuran
G Gam Brand of Amiodarone Hydrochloride
Hexal Brand of Amiodarone Hydrochloride
Ketone, 2-butyl-3-benzofuranyl 4-(2-(diethylamino)ethoxy)-3,5-diiodophenyl
Ketone, 2-butyl-3-benzofuranyl 4-[2-(diethylamino)ethoxy]-3,5-diiodophenyl (7CI,8CI)
Kordaron
L 3428
L-3428
L3428
Labaz
Leurquin Brand of Amiodarone Hydrochloride
N3RQ532
Ortacrone
Pacerone
Pacerone (TN)
Pharma Investi Brand of Amiodarone Hydrochloride
Pms-Amiodarone
Rytmarone
SKF 33134-A
SKF 33134A
Sanofi Winthrop Brand of Amiodarone Hydrochloride
Sedacoron
Sedacorone
Tachydaron
UNII-N3RQ532IUT
Wyeth Brand of Amiodarone Hydrochloride
amiodarone
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Structure
Formula
C25H29I2NO3
Molecular Weight
645.319
Canonical SMILES
CCCCc1oc2ccccc2c1C(=O)c1cc(I)c(OCCN(CC)CC)c(I)c1
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InChI
InChI=1S/C25H29I2NO3/c1-4-7-11-22-23(18-10-8-9-12-21(18)31-22)24(29)17-15-19(26)25(20(27)16-17)30-14-13-28(5-2)6-3/h8-10,12,15-16H,4-7,11,13-14H2,1-3H3
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InChIKey
IYIKLHRQXLHMJQ-UHFFFAOYSA-N
CAS
1951-25-3
Physicochemical Property
logP
6.9362
Rotatable Bonds
11
Heavy Atom Count
31
Polar Areas
42.68
Hydrogen Bond Donor Count
0
Hydrogen Bond Acceptor Count
4
Complexity
31

"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: 2157
SID: 14765719
ChEMBL ID
CHEMBL633
DrugBank ID
DB01118
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: PT01685, ATP-dependent translocase ABCB1
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000009 LLC-PK1 Sus scrofa (Pig)  1
1
Ki = 2100 nM
   TI
   LI
   LO
   TS
Protein ID: PT01546, ATP-dependent translocase ABCB1
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000009 LLC-PK1 Sus scrofa (Pig)  1
1
Ki = 5780 nM
   TI
   LI
   LO
   TS
Biochemical Assays
1 Ki = 3200 nM
Protein ID: PT06079, ATP-dependent translocase ABCB1
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000009 LLC-PK1 Sus scrofa (Pig)  1
1
Ki = 12700 nM
   TI
   LI
   LO
   TS
Protein ID: PT04542, Bile salt export pump
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000013 Sf9 Spodoptera frugiperda (Fall armyworm)  1
1
IC50 = 43000 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 ~ 20596.2 nM
   TI
   LI
   LO
   TS
Protein ID: PT00897, Potassium voltage-gated channel subfamily H member 2
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000006 HEK293 Homo sapiens (Human)  1
1
IC50 = 30 nM
   TI
   LI
   LO
   TS
CL000011 CHO Cricetulus griseus (Chinese hamster)  1
1
IC50 = 10000 nM
   TI
   LI
   LO
   TS
Biochemical Assays
1 IC50 = 1000 nM
2 IC50 = 10000 nM
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 = 26121.6 nM
   TI
   LI
   LO
   TS
Clinical Information about the Compound
Drug 1 ( Amiodarone )
Drug Name Amiodarone
Company Wyeth-Ayerst Laboratories
Indication
Tachyarrhythmias
Approved
Drug 2 ( Amiodarone )
Drug Name Amiodarone
Indication
Ventricular tachycardia
Approved
Coronavirus Disease 2019 (COVID-19)
Phase 2/3