General
Preferred name
Calcitetrol
Synonyms
1,24,25(OH)3D3 ()
1¦Á, 24, 25-Trihydroxy VD3 ()
1??, 24, 25-Trihydroxy VD3 ()
1α, 24, 25-Trihydroxy VD3 ()
P&D ID
PD015582
CAS
72203-93-1
Tags
natural product
available
Structure
Probe scores
P&D probe-likeness score
[[ v.score ]]%
Structure formats
[[ format ]]
[[ compound[format === 'MOL' ? 'molblock' : format.toLowerCase()] ]]
Description
(extracted from source data)
DESCRIPTION Calcitetrol is the hormonally active form of vitamin D with three hydroxyl groups. It increases blood calcium levels ([Ca2+]) by promoting absorption of dietary calcium from the gastrointestinal tract and increasing renal tubular reabsorption of calcium, thus reducing the loss of calcium in the urine. It also stimulates release of calcium from bone by its action on the specific type of bone cells referred to as osteoblasts, causing them to release RANKL, which in turn activates osteoclasts. (BOC Sciences Bioactive Compounds)
Compound Sets
3
BOC Sciences Bioactive Compounds
calcitetrol-cas-72203-93-1-item-84-463315
MedChem Express Bioactive Compound Library
HY-15157
NURSA ligand set
nursa/index.jsf?doi=10.1621%2F8V5EBNRV6R
External IDs
10
Properties
(calculated by RDKit )
Molecular Weight
432.32
Hydrogen Bond Acceptors
4
Hydrogen Bond Donors
4
Rotatable Bonds
6
Ring Count
3
Aromatic Ring Count
0
cLogP
4.68
TPSA
80.92
Fraction CSP3
0.78
Chiral centers
7.0
Largest ring
6.0
QED
0.49
Structural alerts
0
No structural alerts detected
Custom attributes
(extracted from source data)
Pathway
Vitamin D Related/Nuclear Receptor
Target
VD/VDR
Source data