e-Drug3D

2033

LEVOKETOCONAZOLE

INN
LEVOKETOCONAZOLE

cas 142128-57-2

CLASS

GENITO
CORTISOL SYNTHESIS INHIBITOR INDICATED FOR THE TREATMENT OF ENDOGENOUS HYPERCORTISOLEMIA
CYTOCHROME CYP11B1 (11 BETA HYDROLASE), CYP11A1 (CHOLESTEROL SIDE-CHAIN CLEAVAGE) AND CYP17A1 (17 ALPHA HYDROLASE) INHIBITOR
SUBSTRATE OF INTESTINAL AND LIVER P-GPP

ROUTE (list)

ORAL

ATC code

H02CA04

PK parameters

Tmax 1.75 HOUR
VD 36 LITER
PPB 99.3 PERCENT
t1/2 3.75 HOUR

Solubility

VERY SLIGHTLY SOLUBLE IN WATER AT PH 2

Target

TARGET CYP11B1
CYP11A1
CYP17A1

PDB
3OZW (THE CRYSTAL STRUCTURE OF FLAVOHEMOGLOBIN FROM R. EUTROPHUS IN COMPLEX WITH KETOCONAZOLE)

Ligand code = KKK_3OZW (link to the list of PDB complexes)

Download experimental 3D coordinates of KKK_3OZW with added hydrogens

DrugCentral

Steroid 17-alpha-hydroxylase 17,20 lyase UNIPROT P05093 CYP17A1

Cytochrome P450 11B1, mitochondrial UNIPROT P15538 CYP11B1

Download SDF file

Ethanone, 1-[4-[4-[[(2S,4R)-2-(2,4-dichlorophenyl)-2-(1H-imidazol-1-ylmethyl)-1,3-dioxolan-4-yl]methoxy]phenyl]-1-piperazinyl]- (ACI)

Formula:
C26H28Cl2N4O4

Calculated chemical properties:

MW 531.42
NB_atoms 36
XLogP 4.21
PSA 68.123
NB_HD 0
NB_HA 8
fsp3 0.38
Lipinski(0=no;1=yes) 0

FDA
NDA 214133 (pdf not found) INN (LEVOKETOCONAZOLE) RECORLEV (STRONGBRIDGE) APPROVAL= AP YEAR= 2021