e-Drug3D

824

CHOLECALCIFEROL


INN
CHOLECALCIFEROL

(has an active metabolite)

cas 67-97-0
CLASS

METABOLISM
VITAMIN D3
ANTIARTHRITIC
ANTIHYPOCALCEMIC AGENTS
ANTIHYPOPARATHYROID AGENTS
BONE DENSITY CONSERVATION AGENTS
SECOSTEROL

ROUTE (list)

INTRAVENOUS ORAL

ATC code

M05BB03
A11CC05
A11CC55
M05BB09
M05BB07
M05BX53

PK parameters

Tmax 10.6 HOUR
t1/2 14 HOUR

Solubility

PRACTICALLY INSOLUBLE IN WATER


Target

TARGET VITAMIN D3-25-HYDROXYLASE (25-OHASE)

DrugCentral

Vitamin D3 receptor UNIPROT P11473 VDR

Download SDF file (1S)-3-[2-[(1R,3aS,7aR)-7a-methyl-1-[(2R)-6-methylheptan-2-yl]-2,3,3a,5,6,7-hexahydro-1H-inden-4-ylidene]ethylidene]-4-methylidenecyclohexan-1-ol

Formula:
C27H44O

Calculated chemical properties:

MW 384.62
NB_atoms 28
XLogP 7.62
PSA 21.28
NB_HD 1
NB_HA 1
fsp3 0.78
Lipinski(0=no;1=yes) 0

FDA
NDA 021163 (label) INN (ALPHA-TOCOPHEROL ACETATE ; ASCORBIC ACID ; BIOTIN ; CHOLECALCIFEROL ; CYANOCOBALAMIN ; DEXPANTHENOL ; FOLIC ACID ; NIACINAMIDE ; PYRIDOXINE HYDROCHLORIDE ; RIBOFLAVIN 5'-PHOSPHATE SODIUM ; THIAMINE HYDROCHLORIDE ; VITAMIN A PALMITATE ; VITAMIN K) INFUVITE ADULT (SANDOZ CANADA INC) APPROVAL= AP YEAR= 2000
NDA 021265 (label) INN (ASCORBIC ACID ; BIOTIN ; CHOLECALCIFEROL ; CYANOCOBALAMIN ; DEXPANTHENOL ; FOLIC ACID ; NIACINAMIDE ; PYRIDOXINE ; RIBOFLAVIN ; THIAMINE ; TOCOPHEROL ACETATE ; VITAMIN A ; VITAMIN K) INFUVITE PEDIATRIC (SANDOZ CANADA INC) APPROVAL= AP YEAR= 2001
NDA 021559 (label) INN (CHOLECALCIFEROL) INFUVITE ADULT (SANDOZ INC) APPROVAL= AP YEAR= 2003 OBSOLETE
NDA 021646 (label) INN (CHOLECALCIFEROL) INFUVITE PEDIATRIC PHARMACY BULK PACKAGE (SANDOZ INC) APPROVAL= AP YEAR= 2004 OBSOLETE
NDA 021762 (label) INN (ALENDRONATE SODIUM ; CHOLECALCIFEROL) FOSAMAX PLUS D (ORGANON LLC) APPROVAL= AP YEAR= 2005
NDA 210273 (pdf not found) INN (ALPHA-TOCOPHEROL ACETATE ; ASCORBIC ACID ; BIOTIN ; CHOLECALCIFEROL ; CYANOCOBALAMIN ; DEXPANTHENOL ; FOLIC ACID ; NIACINAMIDE ; PYRIDOXINE HYDROCHLORIDE ; RIBOFLAVIN 5'-PHOSPHATE SODIUM ; THIAMINE HYDROCHLORIDE ; VITAMIN A PALMITATE ; VITAMIN K) MULTIPLE VITAMINS INJECTION ADULT (APOTEX) APPROVAL= AP YEAR= 2026
NDA 210456 (pdf not found) INN (ASCORBIC ACID ; BIOTIN ; CHOLECALCIFEROL ; CYANOCOBALAMIN ; DEXPANTHENOL ; FOLIC ACID ; NIACINAMIDE ; PYRIDOXINE ; RIBOFLAVIN ; THIAMINE ; TOCOPHEROL ACETATE ; VITAMIN A ; VITAMIN K) MULTIPLE VITAMINS INJECTION PEDIATRIC PHARMACY BULK PACKAGE (APOTEX) APPROVAL= AP YEAR= 2026
NDA 210671 (pdf not found) INN (ASCORBIC ACID ; BIOTIN ; CHOLECALCIFEROL ; CYANOCOBALAMIN ; DEXPANTHENOL ; FOLIC ACID ; NIACINAMIDE ; PYRIDOXINE ; RIBOFLAVIN ; THIAMINE ; TOCOPHEROL ACETATE ; VITAMIN A ; VITAMIN K) MULTIPLE VITAMINS INJECTION PEDIATRIC (APOTEX) APPROVAL= AP YEAR= 2026
NDA 210672 (pdf not found) INN (ALPHA-TOCOPHEROL ACETATE ; ASCORBIC ACID ; BIOTIN ; CHOLECALCIFEROL ; CYANOCOBALAMIN ; DEXPANTHENOL ; FOLIC ACID ; NIACINAMIDE ; PYRIDOXINE HYDROCHLORIDE ; RIBOFLAVIN 5'-PHOSPHATE SODIUM ; THIAMINE HYDROCHLORIDE ; VITAMIN A PALMITATE ; VITAMIN K) MULTIPLE VITAMINS INJECTION ADULT (APOTEX) APPROVAL= AP YEAR= 2026

Other links:

PubChem
ChemicalProbes

U.S. repository of Clinical Trials

VigiAccess
SIDER side effects

ChemSynthesis
Patent@SureChEMBL

e-Drug3D

480

CALCITRIOL


INN
CALCITRIOL

(is an active metabolite)

cas 32222-06-3
CLASS

METABOLISM
ANTIHYPOCALCEMIC AGENTS
BONE DENSITY CONSERVATION AGENTS
VITAMINS (VITAMIN D)

ROUTE (list)

ORAL INJECTION TOPICAL

ATC code

A11CC04
D05AX03

PK parameters

Tmax 4.5 HOUR
PPB 99.9 PERCENT
t1/2 6.5 HOUR

Solubility

PRACTICALLY INSOLUBLE IN WATER


Target

TARGET VITAMIN D3 RECEPTOR

PDB
1DB1 (CRYSTAL STRUCTURE OF THE NUCLEAR RECEPTOR FOR VITAMIN D COMPLEXED TO VITAMIN D)

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

Download experimental 3D coordinates of VDX with added hydrogens

DrugCentral

Vitamin D3 receptor UNIPROT P11473 VDR

Download SDF file (1R,3S)-5-[2-[(1R,3aS,7aR)-1-[(2R)-6-hydroxy-6-methylheptan-2-yl]-7a-methyl-2,3,3a,5,6,7-hexahydro-1H-inden-4-ylidene]ethylidene]-4-methylidenecyclohexane-1,3-diol

Formula:
C27H44O3

Calculated chemical properties:

MW 416.62
NB_atoms 30
XLogP 5.70
PSA 62.227
NB_HD 3
NB_HA 3
fsp3 0.78
Lipinski(0=no;1=yes) 0

FDA
NDA 018044 (pdf not found) INN (CALCITRIOL) ROCALTROL (ESJAY PHARMA) APPROVAL= AP YEAR= 1978
NDA 018874 (label) INN (CALCITRIOL) CALCIJEX (ABBVIE) APPROVAL= AP YEAR= 1986 DISCONTINUED
NDA 021068 (label) INN (CALCITRIOL) ROCALTROL (ESJAY PHARMA) APPROVAL= AP YEAR= 1998
NDA 075765 (pdf not found) INN (CALCITRIOL) CALCITRIOL (TEVA) APPROVAL= AP YEAR= 2001
NDA 075836 (pdf not found) INN (CALCITRIOL) CALCITRIOL (FRESENIUS KABI USA) APPROVAL= AP YEAR= 2002 DISCONTINUED
NDA 075746 (pdf not found) INN (CALCITRIOL) CALCITRIOL (AM REGENT) APPROVAL= AP YEAR= 2003 DISCONTINUED
NDA 075766 (pdf not found) INN (CALCITRIOL) CALCITRIOL (FRESENIUS MEDCL) APPROVAL= AP YEAR= 2003 DISCONTINUED
NDA 075823 (pdf not found) INN (CALCITRIOL) CALCITRIOL (TEVA PARENTERAL) APPROVAL= AP YEAR= 2003 DISCONTINUED
NDA 076206 (pdf not found) INN (CALCITRIOL) CALCITRIOL (ROCKWELL MEDCL) APPROVAL= AP YEAR= 2003 DISCONTINUED
NDA 076242 (pdf not found) INN (CALCITRIOL) CALCITRIOL (HIKMA) APPROVAL= AP YEAR= 2003
NDA 075816 (pdf not found) INN (CALCITRIOL) CALCITRIOL (HOSPIRA) APPROVAL= AP YEAR= 2004 DISCONTINUED
NDA 076917 (pdf not found) INN (CALCITRIOL) CALCITRIOL (HIKMA) APPROVAL= AP YEAR= 2006
NDA 077102 (pdf not found) INN (CALCITRIOL) CALCITRIOL (SAGENT PHARMS) APPROVAL= AP YEAR= 2006 DISCONTINUED
NDA 078066 (pdf not found) INN (CALCITRIOL) CALCITRIOL (LONG GROVE PHARMS) APPROVAL= AP YEAR= 2008
NDA 022087 (label) INN (CALCITRIOL) VECTICAL (GALDERMA LABS LP) APPROVAL= AP YEAR= 2009
NDA 091174 (pdf not found) INN (CALCITRIOL) CALCITRIOL (BIONPHARMA) APPROVAL= AP YEAR= 2013
NDA 091356 (pdf not found) INN (CALCITRIOL) CALCITRIOL (ONESOURCE SPECIALTY) APPROVAL= AP YEAR= 2014
NDA 203289 (pdf not found) INN (CALCITRIOL) CALCITRIOL (AMNEAL PHARMS) APPROVAL= AP YEAR= 2017
NDA 209798 (pdf not found) INN (CALCITRIOL) CALCITRIOL (RISING) APPROVAL= AP YEAR= 2018
NDA 204556 (pdf not found) INN (CALCITRIOL) CALCITRIOL (SUN PHARM) APPROVAL= AP YEAR= 2019 DISCONTINUED
NDA 211030 (pdf not found) INN (CALCITRIOL) CALCITRIOL (GLAND) APPROVAL= AP YEAR= 2020
NDA 203973 (pdf not found) INN (CALCITRIOL) CALCITRIOL (ANDA REPOSITORY) APPROVAL= AP YEAR= 2023
NDA 219796 (pdf not found) INN (CALCITRIOL) CALCITRIOL (HUMANWELL PURACAP) APPROVAL= AP YEAR= 2026

Other links:

PubChem
ChemicalProbes

U.S. repository of Clinical Trials

VigiAccess
SIDER side effects

ChemSynthesis
Patent@SureChEMBL