e-Drug3D

1390

CALCIFEDIOL

INN
CALCIFEDIOL

cas 19356-17-3

CLASS

METABOLISM
CA REGULATOR
ANTIHYPOCALCEMIC AGENTS

ROUTE (list)

ORAL

NATURAL MOLECULE (link)

ATC code

A11CC06
H05BX05

PK parameters

Target

TARGET 25(OH)D-1ALPHA-HYDROXYLASE

PDB
1J78 (CRYSTALLOGRAPHIC ANALYSIS OF THE HUMAN VITAMIN D BINDING PROTEIN)

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

Download experimental 3D coordinates of VDY with added hydrogens

DrugCentral

Vitamin D3 receptor UNIPROT P11473 VDR

Download SDF file

(1R,3Z)-3-[(2E)-2-[(1R,7aR)-1-[(2R)-6-hydroxy-6-methylheptan-2-yl]-7a-methyl-2,3,3a,5,6,7-hexahydro-1H-inden-4-ylidene]ethylidene]-4-methylidenecyclohexan-1-ol

Formula:
C27H44O2

Calculated chemical properties:

MW 400.62
NB_atoms 29
XLogP 6.73
PSA 41.563
NB_HD 2
NB_HA 2
fsp3 0.78
Lipinski(0=no;1=yes) 0

FDA
NDA 018312 (pdf not found) INN (CALCIFEDIOL) CALDEROL (ORGANON USA INC) APPROVAL= AP YEAR= 1980 NEWMOLECULARENTITY DISCONTINUED
NDA 208010 (pdf not found) INN (CALCIFEDIOL) RAYALDEE (EIRGEN) APPROVAL= AP YEAR= 2016