Home
Drugs
Targets
Pathways
Ontologies
Cyp450s
Adv.search
Help/FAQ

Drug-Target Interaction

Drug

show drug details
PubChem ID:60787
Structure:
Synonyms:
(2S)-N-[(2S,3R)-4-[(3S)-3-(tert-butylcarbamoyl)-3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-yl]-3-hydroxy-1-phenylbutan-2-yl]-2-(quinoline-2-carbonylamino)butanediamide
(3S-(2(1R*(R*),2S*),3I,4athetav,8athetav))-N(sup 1)-(3-(3-(((1,1-Dimethylethyl)amino)carbonyl)octahydro-2(1H)-isoquinolinyl)-2-hydroxy-1-(phenylmethyl)propyl)-2-((2-quinolinylcarbonyl)amino)butanediamide
(S)-N-((IS)-I-((1R)-2-((3S,4aS,8aS)-3-(tert-Butylcarbamoyl)octahydro-2(1H)-isoquinolyl)-1-hydroxyethyl)phenethyl)-2-quinaldamidosuccinamide
127779-20-8
149845-06-7
Butanediamide,
Butanediamide, N1-((1S,2R)-3-((3S,4aS,8aS)-3-(((1,1-dimethylethyl)amino)carbonyl)octahydro-2(1H)-isoquinolinyl)-2-hydroxy-1-(phenylmethyl)propyl)-2-((2-quinolinylcarbonyl)amino)-, (2S)-
Butanediamide, N1-(3-(3-(((1,1-dimethylethyl)amino)carbonyl)octahydro-2(1H)-isoquinolinyl)-2-hydroxy-1-(phenylmethyl)propyl)-2-((2-quinolinylcarbonyl)amino)-, (3S-(2(1R*(R*),2S*),3alpha,4aalpha,8aalpha))-
C38H50N6O5
DB01232
Fortovase
HSDB 7161
INVIRASE
LS-45633
Ro 31-8959
Ro 31-8959/000
SAQUINAVIR
Saquinavir Mesylate
Saquinavir [USAN]
Saquinivir
SQV
ATC-Codes:
Side-Effects:
Side-EffectFrequency
ketoacidosis0.0010
hematomas0.0010
hypersensitivity0.0010
hemarthroses0.0010
hypercholesterolemia0.0010
lipodystrophy0.0010
breast hypertrophy0.0010
vascular disorders0.0010
diabetes mellitus0.0008
hyperglycemia0.0008
allergic reactions0.00066
convulsions0.00066
somnolence0.00066
hepatitis0.00066
bleeding0.00066
thrombophlebitis0.00066
hypertriglyceridemia0.00066
pharyngitis0.0
skin nodule0.0
sinusitis0.0
pain pelvic0.0
seizures0.0
poliomyelitis0.0
dermatitis seborrheic0.0
peripheral neuropathy0.0
rhinitis0.0
psychosis0.0
pneumonia0.0
paresthesia0.0
paresis0.0
leucopenia0.0
liver disease0.0
pulmonary disease0.0
melena0.0
cramps0.0
musculoskeletal pain0.0
infection mycotic0.0
nail disorder0.0
neoplasms0.0
pancytopenia0.0
neutropenia0.0
night sweats0.0
numbness0.0
otitis0.0
pain0.0
pancreatitis0.0
progressive multifocal leukoencephalopathy0.0
skin ulceration0.0
spasms0.0
myalgia0.0
vaginal discharge0.0
polyarthritis0.0
retrosternal pain0.0
hypophosphatemia0.0
hyperphosphatemia0.0
agitation0.0
mouth dry0.0
colic abdominal0.0
hemorrhage rectum0.0
insomnia0.0
acne0.0
sweating increased0.0
lymphadenopathy0.0
dysesthesia0.0
nephrolithiasis0.0
photosensitivity0.0
dry eye0.0
weight decrease0.0
weight increase0.0
tooth disorder0.0
tinnitus0.0
thrombocytopenia0.0
syncope0.0
suicide attempt0.0
stomatitis0.0
stevens - johnson syndrome0.0
splenomegaly0.0
toothache0.0
tremor0.0
verruca0.0
vomiting0.0
urticaria0.0
urinary tract infection0.0
upper respiratory tract infection0.0
erythema0.0
unconsciousness0.0
ulceration0.0
hearing decreased0.0
acute myeloblastic leukemia0.0
abdominal pain0.0
chalazion0.0
chest pain0.0
confusion0.0
constipation0.0
cough0.0
dysphagia0.0
dehydration0.0
dermatitis0.0
dizziness0.0
dysarthria0.0
infectious diarrhea0.0
dyspepsia0.0
dyspnea0.0
earache0.0
eczema0.0
edema0.0
epistaxis0.0
cellulitis0.0
moniliasis0.0
abscess0.0
alopecia0.0
amnesia0.0
anemia0.0
hemolytic anemia0.0
angina0.0
anorexia0.0
anxiety0.0
arthralgia0.0
arthritis0.0
ascites0.0
weakness generalized0.0
ataxia0.0
back pain0.0
infection bacterial0.0
blepharitis0.0
bronchitis0.0
eructation0.0
cramps leg0.0
hyperbilirubinemia0.0
hypercalcemia0.0
hyperesthesia0.0
hyperkalemia0.0
hypernatremia0.0
hypertension0.0
portal hypertension0.0
hypocalcemia0.0
hypokalemia0.0
hyponatremia0.0
hypotension0.0
impotence0.0
infection0.0
influenza0.0
jaundice0.0
renal calculus0.0
laryngitis0.0
herpes zoster0.0
herpes simplex0.0
furunculosis0.0
folliculitis0.0
flushes0.0
flatulence0.0
fever0.0
fatigue0.0
rash0.0
esophagitis0.0
gastritis0.0
gingivitis0.0
hepatomegaly0.0
hemorrhoids0.0
hemoptysis0.0
heart valve disorder0.0
heart murmur0.0
headache0.0
hallucination0.0
glossitis0.0
hypothyroidism0
intracranial hemorrhage0
drug eruption0
asthma0
polyps0
heart disease0
mediastinal disorders0
conjunctivitis0
sgot increased0
pruritus ani0
ulcerative stomatitis0
connective tissue disorders0
neuropathy0
esophageal ulcer0
unconsciousness0
irritability0
menstrual disorder0
cyst0
heartburn0
cholelithiasis0
allergic rhinitis0
renal colic0
papilloma0
abdominal pain upper0
sclerosing cholangitis0
euphoria0
clotting0
malaise0
cerebrovascular accident0
elevated liver function tests0
retinitis0
psoriasis0
nausea0
fecal incontinence0
epididymitis0
gastroesophageal reflux0
cerebral hemorrhage0
renal insufficiency0
pruritus0
low back pain0
molluscum contagiosum0
menstrual irregularity0
myopathy0
diarrhea0
vertigo0
dry skin0
infestation0
endocrine disorders0
nocturia0
abdominal distention0
hypoglycemia0
sarcoma0
muscle weakness0

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:
----
----
----
----
----
----
----
----
--1500-

References:

11824416
CYP3A4-mediated hepatic metabolism of the HIV-1 protease inhibitor saquinavir in vitro.. V A Eagling; H Wiltshire; I W A Whitcombe; D J Back (2002) Xenobiotica; the fate of foreign compounds in biological systems display abstract
1. The aim was to identify the major metabolites of saquinavir (SQV) from human hepatic microsomal incubations and the CYP isoform(s) responsible. 2. Ten fractions containing various metabolites were separated by isocratic reversed-phase HPLC and characterized by HPLC, mass spectrometry and NMR. 3. Metabolites were either mono- or di-hydroxylated derivatives of SQV. Fast-atom bombardment and electrospray MS showed that hydroxylation was predominantly situated on the decahydroisoquinoline ring. A major metabolite (M4) was rigorously identified as 6-equatorial-hydroxy SQV. 4. Metabolism of saquinavir to all metabolites was inhibited by the CYP3A4-selective inhibitor ketoconazole (IC50 = 0.55 +/- 0.12 microM). Other isoform-selective inhibitors were non-inhibitory. The protease inhibitors ritonavir, indinavir and nelfinavir potently inhibited SQV metabolism in hepatic microsomes with IC50 = 0.025 +/- 0.004, 0.82 +/- 0.26 and 0. 58 +/- 0.14 microM, respectively. 5. Saquinavir metabolism correlated with immunochemically determined CYP3A4 levels and testosterone 6beta-hydroxylation, but it failed to correlate with either immunochemically determined CYPIA2 levels or marker activities for CYP1A2, 2C9 or 2E1. 6. Heterologously expressed CYP3A4 metabolized saquinavir with a similar metabolic profile to that of human liver microsomes. 7. Km, and Vmax for total SQV metabolism were 0.61 +/- 0.19 microM and 1.82 +/- 1.13 nmol mg(-1) min(-1), respectively. 8. The extensive involvement of hepatic CYP3A4 in the metabolism of saquinavir predicts high intrinsic clearance of saquinavir. Inhibitors of CYP3A4 such as other protease inhibitors will substantially increase the bioavailability of saquinavir.
14718607
16513447
9029057
9278209
9486958
9533981
9549640