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Drug-Target Interaction

Drug

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PubChem ID:4740
Structure:
Synonyms:
1,2,3,6-Tetrahydro-3,7-dimethyl-1-(5-oxohexyl)-2,6-purindion
1-(5-Oxohexyl)-3,7-dimethylxanthine
1-(5-Oxohexyl)theobromine
1H-Purine-2,6-dione, 3,7-dihydro-3,7-dimethyl-1-(5-oxohexyl)-
2a3c
3,7-Dihydro-3,7-dimethyl-1-(5-oxohexyl)-1H-purine-2,6-dione
3,7-Dimethyl-1-(5-oxo-hexyl)-3,7-dihydro-purine-2,6-dione
3,7-Dimethyl-1-(5-oxohexyl) xantine
3,7-Dimethyl-1-(5-oxohexyl)-1H,3H-purin-2,6-dione
3,7-DIMETHYL-1-(5-OXOHEXYL)-3,7-DIHYDRO-1H-PURINE-2,6-DIONE
3,7-dimethyl-1-(5-oxohexyl)purine-2,6-dione
3,7-Dimethyl-1-(5-oxohexyl)xanthine
3,7-Dimethyl-1-(5-oxohexyl)xantine
5-26-14-00081 (Beilstein Handbook Reference)
6493-05-6
AB00052363
AC1L1IUN
Agapurin
Agapurin Retard
AIDS-001608
AIDS001608
AKOS000541484
Azupentat
BAS 00897429
BB_SC-2111
BIDD:GT0174
BL 191
BL-191
BL191
BPBio1_000167
BRD-K57569181-001-05-1
BRN 0558929
BSPBio_000151
BSPBio_003439
C07424
C13H18N4O3
CAS-1677687
CCG-36382
CCRIS 6832
CHEMBL628
cis-9-Octadecenoyl coenzyme A
CPD000035998
D00501
D010431
DB00806
Dimethyloxohexylxanthine
DivK1c_000729
DRG-0117
Durapental
EHT 0201
EHT-0201
EHT-201
EHT0201
EINECS 229-374-5
EU-0100936
Hemovas
HMS1568H13
HMS1922E16
HMS2051N06
HMS2090H13
HMS2093G21
HMS2095H13
HMS2235C16
HMS3262L14
HMS502E11
I06-1592
IDI1_000729
Ikomio
IN1161
KBio1_000729
KBio2_001924
KBio2_004492
KBio2_007060
KBio3_002942
KBioGR_000893
KBioSS_001924
Lopac-P-1784
Lopac0_000936
LS-149385
MLS000079026
MLS000758298
MLS001201764
NCGC00015801-01
NCGC00015801-02
NCGC00015801-03
NCGC00015801-04
NCGC00015801-05
NCGC00015801-06
NCGC00015801-07
NCGC00015801-08
NCGC00015801-09
NCGC00015801-10
NCGC00067069-02
NCGC00067069-03
NCGC00067069-04
NCGC00067069-05
NCGC00178062-01
NCGC00178062-02
NINDS_000729
NSC 637086
NSC637086
Oxpentifylline
P 1784
PDSP1_001015
PDSP2_000999
Pentoxifilina
Pentoxifilina [INN-Spanish]
Pentoxifyllin
Pentoxifylline
Pentoxifylline (JAN/USP/INN)
Pentoxifylline [USAN:INN:JAN]
Pentoxifyllinum
Pentoxifyllinum [INN-Latin]
Pentoxil
Pentoxil (TN)
Pentoxiphyllin
Pentoxiphylline
Pentoxiphyllium
Pentoxyfylline
PENTOXYPHYLINE
Pentoxyphyllin
Pentoxyphylline
PNX
Prestwick0_000196
Prestwick1_000196
Prestwick2_000196
Prestwick3_000196
Prestwick_608
PTX
Px
Ralofect
Rentylin
SAM001247011
SMR000035998
SPBio_001221
SPBio_002072
SPECTRUM1503611
Spectrum2_001181
Spectrum3_001820
Spectrum4_000227
Spectrum5_001161
Spectrum_001444
SR-01000075641-4
ST5242554
STK177321
Theobromine, 1-(5-oxohexyl)-
Torental
Trental
Trental (TN)
UNII-SD6QCT3TSU
Vasofirin
Vazofirin
ZINC01530776
ATC-Codes:
Side-Effects:
Side-EffectFrequency
headache0
palpitations0
hemorrhage0
seizures0
hypotension0
sweating0
vomiting0
diarrhea0
aplastic anemia0
chest pain0
dyspepsia0
insomnia0
bloating0
tachycardia0
angina pectoris0
jaundice0
visual field defect0
heartburn0
pancytopenia0
leukopenia0
shock0
flushing0
infection0
somnolence0
ear pain0
malaise0
spasm0
myalgia0
tremor0
conjunctivitis0
anorexia0
anxiety0
nausea0
anemia0
abdominal pain0
dry mouth0
dyspnea0
aseptic meningitis0
purpura0
blurred vision0
nasal congestion0
fever0
increased salivation0
arrhythmia0
agitation0
weakness0
angioedema0
constipation0
back pain0
eructation0
rash0
hypertension0
sore throat0
laryngitis0
flatulence0
urticaria0
influenza0
pruritus0
dizziness0
leukemia0
edema0
lightheadedness0
leg cramps0
bronchospasm0
confusion0
nervousness0
hepatitis0
thrombocytopenia0
epistaxis0
hypersensitivity0
cholecystitis0

Target

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Uniprot ID:CP1A2_HUMAN
Synonyms:
CYPIA2
Cytochrome P450 1A2
P(3)450
P450 4
P450-P3
EC-Numbers:1.14.14.1
Organism:Homo sapiens
Human
PDB IDs:2HI4
Structure:
2HI4

Binding Affinities:

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

References:

9394024
Cytochrome P450 isozymes involved in lisofylline metabolism to pentoxifylline in human liver microsomes.. S H Lee; J T Slattery (1997) Drug metabolism and disposition: the biological fate of chemicals display abstract
We describe the kinetics of pentoxifylline formation from lisofylline in human liver microsomes using selective inhibitors of cytochrome P450 isozymes, correlation studies with specific isozyme activities, and cDNA-expressed human CYP1A2 and 2E1. A biphasic model fitted the data best for the formation of pentoxifylline, Km1 = 0.282 +/- 0.135 microM, Vmax1 = 0.003 +/- 0.001 nmol/min/mg protein, Km2 = 158 +/- 42.6 microM and Vmax2 =0.928 +/- 0.308 nmol/min/mg (N = 4). Pentoxifylline formation by the low Km isoform (200 microM lisofylline) required NADPH, was not inhibited by any isozyme-specific P450 inhibitor, and was inhibited only 10% and 20%, respectively, by aminobenzotriazole and N-octamylamine. We concluded that the low Km enzyme was not a cytochrome P450. At 5 microM of lisofylline the CYP1A2 inhibitor, furafylline, inhibited pentoxifylline formation by 58.8%, and the nonspecific CYP2E1 inhibitor, diethyldithiocarbamate, inhibited pentoxifylline formation by 21.7%. When preincubated with furafylline plus diethyldithiocarbamate, inhibition of pentoxifylline formation was increased 71.4%. Microsomal CYP1A2 activity correlated with pentoxifylline formation (r2 = 0.870, p < 0.001). However, CYP2E1 activity did not correlate with pentoxifylline formation (r2 = 0.143, p = 0.181). Baculovirus insect cell expressed human CYP1A2 formed pentoxifylline at 0.987 nmol/min/nmol cytochrome P450 at 5 microM lisofylline. cDNA expressed CYP2E1 did not catalyze formation of pentoxifylline. Diethyldithiocarbamate inhibited pentoxifylline formation by 85.7% in cDNA expressed CYP1A2. We conclude that CYP1A2 is the high affinity enzyme catalyzing pentoxifylline formation from lisofylline.
9394024
Cytochrome P450 isozymes involved in lisofylline metabolism to pentoxifylline in human liver microsomes.. S H Lee; J T Slattery (1997) Drug metabolism and disposition: the biological fate of chemicals display abstract
We describe the kinetics of pentoxifylline formation from lisofylline in human liver microsomes using selective inhibitors of cytochrome P450 isozymes, correlation studies with specific isozyme activities, and cDNA-expressed human CYP1A2 and 2E1. A biphasic model fitted the data best for the formation of pentoxifylline, Km1 = 0.282 +/- 0.135 microM, Vmax1 = 0.003 +/- 0.001 nmol/min/mg protein, Km2 = 158 +/- 42.6 microM and Vmax2 =0.928 +/- 0.308 nmol/min/mg (N = 4). Pentoxifylline formation by the low Km isoform (200 microM lisofylline) required NADPH, was not inhibited by any isozyme-specific P450 inhibitor, and was inhibited only 10% and 20%, respectively, by aminobenzotriazole and N-octamylamine. We concluded that the low Km enzyme was not a cytochrome P450. At 5 microM of lisofylline the CYP1A2 inhibitor, furafylline, inhibited pentoxifylline formation by 58.8%, and the nonspecific CYP2E1 inhibitor, diethyldithiocarbamate, inhibited pentoxifylline formation by 21.7%. When preincubated with furafylline plus diethyldithiocarbamate, inhibition of pentoxifylline formation was increased 71.4%. Microsomal CYP1A2 activity correlated with pentoxifylline formation (r2 = 0.870, p < 0.001). However, CYP2E1 activity did not correlate with pentoxifylline formation (r2 = 0.143, p = 0.181). Baculovirus insect cell expressed human CYP1A2 formed pentoxifylline at 0.987 nmol/min/nmol cytochrome P450 at 5 microM lisofylline. cDNA expressed CYP2E1 did not catalyze formation of pentoxifylline. Diethyldithiocarbamate inhibited pentoxifylline formation by 85.7% in cDNA expressed CYP1A2. We conclude that CYP1A2 is the high affinity enzyme catalyzing pentoxifylline formation from lisofylline.