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Name:Ketoconazole
PubChem ID:456201
Pathway:-
InChI:InChI=1/C26H28Cl2N4O4/c1-19(33)31-10-12-32(13-11-31)21-3-5-22(6-4-21)34-15-23-16-35-26(36-23,17-30-9-8-29-18-30)24-7-2-20(27)14-25(24)28/h2-9,14,18,23H,10-13,15-17H2,1H3/t23-,26-/m0/s1
SMILES:CC(N1CCN(CC1)c1ccc(cc1)OC[C@H]1(CO[C@@](Cn2ccnc2)(c2ccc(cc2Cl)Cl)O1))=O

Properties:
Formula:C26H28Cl2N4O4Atoms:37
Molecular Weight:531.431Rotatable Bonds:8
H-bond Acceptors:5H-bond Donors:0
logP:4.2087
Targets:
NameUniprot IDSourceReferencesInteraction
1,25-dihydroxyvitamin D(3) 24-hydroxylase, mitochondrialCP24A_HUMANBindingDB-shows
Arachidonate 5-lipoxygenaseLOX5_RATBindingDB-shows
Cytochrome P450 11B1, mitochondrialC11B1_HUMANSuperCypPMID 7663533shows
Cytochrome P450 11B2, mitochondrialC11B2_HUMANBindingDB-shows
Cytochrome P450 19A1CP19A_HUMANBindingDB-shows
Cytochrome P450 1A1CP1A1_HUMANSuperCypPMID 10821163shows
Cytochrome P450 1A2CP1A2_HUMANSuperCypPMID 9351907shows
Cytochrome P450 1B1CP1B1_HUMANSuperCypPMID 14709627shows
Cytochrome P450 26A1CP26A_HUMANSuperCypPMID 14532297shows
Cytochrome P450 2A6CP2A6_HUMANSuperCypPMID 11978200shows
Cytochrome P450 2B1CP2B1_RATBindingDB-shows
Cytochrome P450 2B6CP2B6_HUMANSuperCypPMID 14709627shows
Cytochrome P450 2C11CP2CB_RATBindingDB-shows
Cytochrome P450 2C19CP2CJ_HUMANSuperCypPMID 10192828shows
Cytochrome P450 2C8CP2C8_HUMANSuperCypPMID 11038157shows
Cytochrome P450 2C9CP2C9_HUMANSuperCypPMID 11854151shows
Cytochrome P450 2D6CP2D6_HUMANSuperCypPMID 15618748shows
Cytochrome P450 2F1CP2F1_HUMANSuperCypPMID 14709627shows
Cytochrome P450 3A4CP3A4_HUMANSuperCyp-shows
Cytochrome P450 3A5CP3A5_HUMANSuperCypPMID 12814972shows
Cytochrome P450 3A7CP3A7_HUMANSuperCypPMID 8690825shows
Cytochrome P450 4A10CP4AA_RATBindingDB-shows
Lanosterol 14-alpha demethylaseCP51A_HUMANDrugBank-shows
Lanosterol 14-alpha demethylaseCP51_YEASTDrugBank-shows
Leukotriene-B(4) omega-hydroxylase 1CP4F2_HUMANSuperCypPMID 16997912shows
Multidrug resistance protein 1MDR1_HUMANBindingDB-shows
Phospholipase A2, major isoenzymePA21B_PIGBindingDB-shows
Potassium voltage-gated channel subfamily H member 2KCNH2_HUMANBindingDB-shows
Prostaglandin G/H synthase 2PGH2_BOVINBindingDB-shows
Steroid 17-alpha-hydroxylase/17,20 lyaseCP17A_RATBindingDB-shows
Steroid 17-alpha-hydroxylase/17,20 lyaseCP17A_HUMANBindingDB-shows
Steroid 21-hydroxylaseCP21A_HUMANBindingDB-shows
Synonyms:
()-ketoconazole
(+)-Ketoconazole
(+-)-cis-1-Acetyl-4-(p-((2-(2,4-dichlorophenyl)-2-(imidazol-1-ylmethyl)-1,3-dioxolan-4-yl)methoxy)phenyl)piperazine
(+/-)-cis-1-Acetyl-4-(4-[(2-[2,4-dichlorophenyl]-2-[1H-imidazol-1-ylmethyl]-1,3-dioxolan-4-yl)-methoxy]phenyl)piperazine
(2R,4S)-ketoconazole
1-acetyl-4-(4-{[(2R,4S)-2-(2,4-dichlorophenyl)-2-(1H-imidazol-1-ylmethyl)-
1-acetyl-4-(4-{[(2R,4S)-2-(2,4-dichlorophenyl)-2-(1H-imidazol-1-ylmethyl)-1,3-dioxolan-4-yl]methoxy}phenyl)piperazine
65277-42-1
79156-75-5
AIDS-007337
AIDS-112210
AIDS007337
AIDS112210
Ambap5952
BIM-0050645.0001
BPBio1_000635
BRN 4303081
BSPBio_000577
C26H28Cl2N4O4
CHEBI:48336
CIS-1-ACETYL-4-(4-((2-(2,4-DICHLOROPHENYL)-2-(1H-IMIDAZOL-1-YLMETHYL)-1,3-DIOXOLAN-4-YL)METHOXY)PHENYL)PIPERAZINE
cis-1-Acetyl-4-[4-[[2-(2,4-dichlorophenyl)-2-(1H-imidazol-1-ylmethyl)-1,3-dioxolan-4-yl]methoxy]phenyl]piperazine
CPD000058460
EINECS 265-667-4
EU-0100666
Extina
Fungarest
Fungoral
HSDB 7447
K1003_SIGMA
KET
Ketoconazol
Ketoconazol [INN-Spanish]
Ketoconazole
Ketoconazole [USAN:INN:BAN:JAN]
Ketoconazolum
Ketoconazolum [INN-Latin]
Ketoderm
Ketoisdin
KT
KTN
KW-1414
KZ
Lopac0_000666
LS-110149
MLS000069784
MLS000758224
MLS001146934
NCGC00025000-01
NCGC00025000-02
NCGC00025000-03
NCGC00025000-04
NCGC00025000-05
NCGC00025000-06
NCGC00025000-07
Nizoral
NIZORAL A-D
NSC 317629
NSC317629
Orifungal M
Panfungol
Piperazine, (+)-1-acetyl-4-[4-[[2-(2,4-dichlorophenyl)-2-(1H-imidazol-1-ylmethyl)-1,3-dioxolan-4-yl]methoxy]phenyl]-
Piperazine, (+/-)-1-acetyl-4-[4-[[(2R,4S)-2-(2,4-dichlorophenyl)-2-(1H-imidazol-1-ylmethyl)-1,3-dioxolan-4-yl]methoxy]phenyl]-, rel-
Piperazine, 1-acetyl-4-(4-((2-(2,4-dichlorophenyl)-2-(1H-imidazol-1-ylmethyl)-1,3-dioxolan-4-yl)methoxy)phenyl)-, cis-
Prestwick0_000389
Prestwick1_000389
Prestwick2_000389
Prestwick3_000389
Prestwick_744
R 41,400
R 41400
R-41400
R41,400
R41400
SAM001246983
SMR000058460
SPBio_002498
Tocris-1103
UC280_SIGMA
UPCMLD-DP138
UPCMLD-DP138:001
Xolegel
ATC-Codes:
Side-Effects:
Side-EffectFrequency
abdominal pain0
nausea0
pain0
papilledema0
paresthesia0
pruritus0
swelling0
thrombocytopenia0
erythema0
urticaria0
vomiting0
chills0
photophobia0
pyogenic granuloma0
dry skin0
scalp seborrhea0
eye swelling0
acne0
leukopenia0
keratoconjunctivitis sicca0
alopecia0
anaphylaxis0
hemolytic anemia0
arrhythmia0
dermatitis0
contact dermatitis0
diarrhea0
dizziness0
somnolence0
rash0
fever0
gynecomastia0
headache0
hypersensitivity0
hypertriglyceridemia0
impetigo0
impotence0
allergic reaction0