e-Drug3D

1642

M CICLESONIDE


INN
CICLESONIDE

(is an active metabolite)

cas 161115-59-9
CLASS

RESPIRATORY
ANTIINFLAMMATORY
ANTI-ALLERGIC AGENTS
GLUCOCORTICOIDS

ROUTE (list)

-

ATC code

R01AD13
R03BA08

PK parameters

F 63 PERCENT
Tmax 1.04 HOUR
VD 786 LITER (65 KILOGRAM)
Cl 228 LITER / HOUR
PPB 99 PERCENT
t1/2 6.5 HOUR

Target

TARGET CORTICOSTEROID-BINDING GLOBULIN

PDB
4UDD (GR IN COMPLEX WITH DESISOBUTYRYLCICLESONIDE)

Ligand code = CV7 (link to the list of PDB complexes)

Download experimental 3D coordinates of CV7 with added hydrogens

DrugCentral

Glucocorticoid receptor UNIPROT P04150 NR3C1

Download SDF file Pregna-1,4-diene-3,20-dione, 16,17-[[(R)-cyclohexylmethylene]bis(oxy)]-11,21-dihydroxy-, (11beta,16alpha)-

Formula:
C28H38O6

Calculated chemical properties:

MW 470.58
NB_atoms 34
XLogP 3.50
PSA 82.504
NB_HD 2
NB_HA 6
fsp3 0.79
Lipinski(0=no;1=yes) 1

FDA
-

Other links:

PubChem
ChemicalProbes

U.S. repository of Clinical Trials

VigiAccess
SIDER side effects

ChemSynthesis
Patent@SureChEMBL