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Drug-Target Interaction

Drug

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PubChem ID:2157
Structure:
Synonyms:
(2-butyl-1-benzofuran-3-yl)(4-{[2-(diethylamino)ethyl]oxy}-3,5-diiodophenyl)methanone
(2-butyl-1-benzofuran-3-yl)-[4-(2-diethylaminoethoxy)-3,5-diiodophenyl]methanone
(2-butyl-1-benzofuran-3-yl){4-[2-(diethylamino)ethoxy]-3,5-diiodophenyl}methanone
(2-Butyl-3-benzofuranyl)(4-(2-(diethylamino)ethoxy)-3,5-diidophenyl)methanone
(2-Butylbenzofuran-3-yl)-[4-(2-diethylaminoethoxy)-3,5-diiodo-phenyl]-methanone
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-benzofuranyl 4-(2-(diethylamino)ethoxy)-3,5-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
5-18-02-00353 (Beilstein Handbook Reference)
AB00053422
AIDS-114337
AIDS114337
Alphapharm Brand of Amiodarone Hydrochloride
Amidorone
Amiobeta
Amiodarex
Amiodarona
Amiodarona [INN-Spanish]
Amiodarone
Amiodarone (USAN/INN)
Amiodarone Base
Amiodarone HCL
Amiodarone Hydrochloride
Amiodarone [USAN:BAN:INN]
Amiodaronum [INN-Latin]
Amiohexal
Amjodaronum
Aratac
Armstrong Brand of Amiodarone Hydrochloride
ASTA Medica Brand of Amiodarone Hydrochloride
Berenguer Infale Brand of Amiodarone Hydrochloride
Betapharm Brand of Amiodarone Hydrochloride
Bio1_000026
Bio1_000515
Bio1_001004
Bio2_000294
Bio2_000774
BPBio1_000372
Braxan
BRN 1271711
BSPBio_000338
BSPBio_001574
BSPBio_002580
C06823
C25H29I2NO3
CAS-19774-82-4
CBiol_001740
CHEBI:2663
Corbionax
Cordarex
Cordarone
D000638
D02910
DB01118
DivK1c_000079
EINECS 217-772-1
G Gam Brand of Amiodarone Hydrochloride
Hexal Brand of Amiodarone Hydrochloride
IDI1_000079
IDI1_034044
KBio1_000079
KBio2_000294
KBio2_000741
KBio2_002862
KBio2_003309
KBio2_005430
KBio2_005877
KBio3_000587
KBio3_000588
KBio3_001800
KBioGR_000294
KBioGR_001859
KBioSS_000294
KBioSS_000741
Ketone, 2-butyl-3-benzofuranyl 4-(2-(diethylamino)ethoxy)-3,5-diiodophenyl
Kordaron
L 3428
L-3428
L3428
Leurquin Brand of Amiodarone Hydrochloride
Lopac-A-8423
Lopac0_000122
LS-87088
Methanone,
Methanone, (2-butyl-3-benzofuranyl)(4-(2-(diethylamino)ethoxy)-3,5-diiodophenyl)-
Methanone, (2-butyl-3-benzofuranyl)[4-[2-(diethylamino)ethoxy]-3,5-diiodophenyl]-
NCGC00015096-01
NCGC00015096-02
NCGC00015096-03
NCGC00024242-03
NCGC00024242-04
NCGC00024242-05
NCGC00024242-06
nchembio.79-comp9
nchembio732-comp1
NCI60_041885
NINDS_000079
Ortacrone
Pacerone
Pharma Investi Brand of Amiodarone Hydrochloride
Prestwick0_000409
Prestwick1_000409
Prestwick2_000409
Prestwick3_000409
QTL1_000008
Rytmarone
Sanofi Winthrop Brand of Amiodarone Hydrochloride
Sedacoron
Sedacorone
SKF 33134 A
SKF 33134-A
SKF 33134A
SPBio_001825
SPBio_002277
Spectrum2_001813
Spectrum3_001050
Spectrum4_001190
Spectrum5_001533
Spectrum_000261
Tachydaron
Trangorex
UNM000001215003
Wyeth Brand of Amiodarone Hydrochloride
ATC-Codes:

Target

show target details
Uniprot ID:CP3A4_HUMAN
Synonyms:
Albendazole monooxygenase
Albendazole sulfoxidase
CYPIIIA3
CYPIIIA4
Cytochrome P450 3A3
Cytochrome P450 3A4
HLp
NF-25
Nifedipine oxidase
P450-PCN1
Quinine 3-monooxygenase
Taurochenodeoxycholate 6-alpha-hydroxylase
EC-Numbers:1.14.13.32
1.14.13.67
1.14.13.97
Organism:Homo sapiens
Human
PDB IDs:1TQN 1W0E 1W0F 1W0G 2J0D 2V0M
Structure:
2V0M

Binding Affinities:

Ki: Kd:Ic 50:Ec50/Ic50:
----
----
----
----
----
----
----

References:

007905403
011907638
11038157
11522047
11907638
14742138
High-throughput screening for the assessment of time-dependent inhibitions of new drug candidates on recombinant CYP2D6 and CYP3A4 using a single concentration method.. T Yamamoto; A Suzuki; Y Kohno (2004) Xenobiotica; the fate of foreign compounds in biological systems display abstract
1. The inhibitory effects of various test compounds on recombinant human CYP3A4 activity assayed by fluorescent metabolite formation from 7-benzyloxyquinoline (7-BQ) and the effect of pre-incubation on inhibition were evaluated using the microtitre plate assay with multiple concentrations of test compounds (multiple concentration method). 2. Among the test compounds studied, ketoconazole inhibited CYP3A4 activity most extensively, followed by miconazole, troleandomycin, terfenazine and midazolam. The IC(50) values of other compounds exceeded 10 microM, but those of many compounds decreased after pre-incubation. The inhibitory effects of verapamil, amiodarone and diltiazem after pre-incubation were 205, 154 and 833 times greater than those in the case of co-incubation, respectively. 3. To assess the inhibitory effects more readily, the validity of the microtitre plate assay with a single concentration of the test compound (single concentration method) was studied. The accuracy of the automated dispensation and the coefficient of variation on enzyme activity were approximately 3%. 4. The IC(50) values estimated using the per cent of residual activity from the single concentration method matched closely those from the multiple concentration method. When the IC(50) value as inhibitor concentration was used for a single concentration method, the method enabled easy estimation of inhibitory patterns (such as competitive or time-dependent inhibition) on cytochromes P450. Therefore, from the ease of the technique, automation of the microtitre plate assay and application of the single concentration method might be useful for inhibitory assessment of cytochromes P450 more than that of current conventional methods.
16204463
Determination of the enzyme(s) involved in the metabolism of amiodarone in liver and intestine of rat: the contribution of cytochrome P450 3A isoforms.. Anooshirvan Shayeganpour; Ayman O S El-Kadi; Dion R Brocks (2006) Drug metabolism and disposition: the biological fate of chemicals display abstract
In humans, cytochrome P450 3A (CYP3A4) is a major enzyme involved in the metabolism of amiodarone (AM) to its major metabolite, desethylamiodarone (DEA). In rat, a commonly used animal model, metabolism of AM has not been well studied. To determine whether DEA is formed by CYP3A isoenzymes in the rat, microsomal protein was harvested from liver and intestine of male Sprague-Dawley rats. The metabolism of AM in each tissue was assessed utilizing chemical and immunological inhibitors. Ketoconazole, a presumed inhibitor of CYP3A1/2, significantly inhibited formation of DEA by hepatic and intestinal microsomes. However, based on the DEA formation kinetics in both microsomal preparations, it appeared that more than one cytochrome P450 enzyme was involved in the process. Coincubation of AM with microsomes and anti-CYP3A2 confirmed the role of CYP3A2 in the metabolism of AM in liver. DEA was also formed by rat recombinant CYP1A1 and CYP3A1, and was inhibited by ketoconazole; hence the participation of these enzymes in the intestinal DEA formation is likely. However, anti-CYP2B1/2 or -CYP1A2 antibodies had no effect on DEA formation. In rats given oral or intravenous AM, oral ketoconazole caused significant increases in area under the concentration versus time curve (AUC) of oral and i.v. treated rats and greater than 50% decreases in the total body clearance and Vdss of i.v. treated rats. Although low to undetectable concentrations of DEA were a limitation for determination of AUC of DEA in vivo, it was confirmed that ketoconazole could cause a significant increase in AM concentrations in rat.