General
Preferred name
calcipotriol
Synonyms
CALCIPOTRIENE ()
MC 903 ()
Calcipotriol monohydrate ()
Calcipotriol (monohydrate) ()
Calcipotriol, MC903 ()
PRI-2201 ()
Sorilux ()
Dovonex ()
Enstilar ()
Xamiol ()
MC-903 ()
Calcipotriol hydrate ()
Calcipotriol ()
Calcipotriene Hydrate ()
Dovobet ()
Calcipotriene monohydrate ()
Calciptriol ()
Calcipotriol anhydrous ()
Calcipotriol (hydrate) ()
P&D ID
PD003124
CAS
112965-21-6
112828-00-9
147657-22-5
Tags
natural product
drug
available
Approved by
FDA
First approval
1993
Drug Status
approved
Drug indication
Psoriasis vulgaris
Antipsoriatic
Max Phase
Phase 4
Structure
Probe scores
P&D probe-likeness score
[[ v.score ]]%
Structure formats
[[ format ]]
[[ compound[format === 'MOL' ? 'molblock' : format.toLowerCase()] ]]
Description
(extracted from source data)
MOA The precise mechanism of calcipotriol in remitting psoriasis is not well-understood, however, it has been shown to have comparable affinity with calcitriol for the Vitamin D receptor while being less than 1% the activity in regulating calcium metabolism. The Vitamin D receptor (VDR) belongs to the steroid/thyroid receptor superfamily, and is found on the cells of many different tissues including the thyroid, bone, kindney, and T cells of the immune system. T cells are known to play a role in psoriasis and are believed to undergo modulation of gene expression with binding of calcipotriol to the VDR. This modulation is thought to affect gene products related to cell differentiation and proliferation.
DESCRIPTION Calcipotriol is a synthetic analogue of vitamin D, and acts as an agonist at the vitamin D receptor. (GtoPdb)
DESCRIPTION Blocks retinoic acid metabolism (Tocris Bioactive Compound Library)
DESCRIPTION Vitamin D3 analog (Tocriscreen Total)
Cell lines
0
Organisms
1
Compound Sets
24
AdooQ Bioactive Compound Library
A11346
A11342
Cayman Chemical Bioactives
10009599
ChEMBL Approved Drugs
CHEMBL1200666
ChEMBL Drugs
CHEMBL1200666
Drug Repurposing Hub
DrugBank
DB02300
DrugBank Approved Drugs
DB02300
DrugCentral
465
DrugCentral Approved Drugs
465
DrugMAP
DM03CP7
DrugMAP Approved Drugs
DM03CP7
Guide to Pharmacology
2778
LSP-MoA library (Laboratory of Systems Pharmacology)
CHEMBL1200666
Mcule NIBR MoA Box Subset
MCULE-2371140162
MedChem Express Bioactive Compound Library
HY-10001
HY-10001A
NCATS Inxight Approved Drugs
143NQ3779B
NIH Clinical Collections (NCC)
Novartis Chemogenetic Library (NIBR MoA Box)
NPC Screening Collection
Prestwick Chemical Library
Selleckchem Bioactive Compound Library
calcipotriene
TargetMol Bioactive Compound Library
T14856
Tocris Bioactive Compound Library
2700
Tocriscreen Total
External IDs
58
Properties
(calculated by RDKit )
Molecular Weight
412.3
Hydrogen Bond Acceptors
3
Hydrogen Bond Donors
3
Rotatable Bonds
5
Ring Count
4
Aromatic Ring Count
0
cLogP
5.09
TPSA
60.69
Fraction CSP3
0.7
Chiral centers
7.0
Largest ring
6.0
QED
0.55
Structural alerts
0
No structural alerts detected
Related compounds
Custom attributes
(extracted from source data)
Pathway
Metabolism
Vitamin D Related/Nuclear Receptor
Target
vitamin D receptor
VDR
VD/VDR
Vitamin
Primary Target
Vitamin D Receptors
Member status
member
MOA
Vitamin D analog
vitamin D receptor agonist
Indication
psoriasis
Therapeutic Class
Antipsoriatic Agents
Source data