General
Preferred name
SECALCIFEROL
Synonyms
(24R)-24,25-Dihydroxyvitamin D3 ()
24, 25-dihydroxycholecalciferol ()
24(r),25-(oh)2d3 ()
Osteo D ()
P&D ID
PD013582
CAS
55721-11-4
Tags
natural product
drug
available
Drug Status
investigational
approved
Drug indication
Regulator (calcium)
Probe control
Probe control not defined
Orthogonal probes
0
No orthogonal probes found
Similar probes
0
No structurally similar probes found
Structure
P&D probe-likeness score
Structure formats
[[ format ]]
[[ compound[format === 'MOL' ? 'molblock' : format.toLowerCase()] ]]
[[ p.pathway_name ]]
[[ compound.targets[tid].gene_name ]]
Compound Sets
7
ChEMBL Drugs
Drug Repurposing Hub
DrugBank
DrugCentral
DrugCentral Approved Drugs
MedChem Express Bioactive Compound Library
NPC Screening Collection
[[ a.name ]]
[[ ligand_id ]]
free of charge
External IDs
37
Properties
(calculated by RDKit )
Molecular Weight
416.33
Hydrogen Bond Acceptors
3
Hydrogen Bond Donors
3
Rotatable Bonds
6
Ring Count
3
Aromatic Ring Count
0
cLogP
5.7
TPSA
60.69
Fraction CSP3
0.78
Chiral centers
6.0
Largest ring
6.0
QED
0.52
Structural alerts
0
No structural alerts detected
Related compounds
Custom attributes
(extracted from source data)
Indication
bone fracture
Target
VDR
Endogenous Metabolite
VD/VDR
MOA
vitamin D receptor agonist
Pathway
Metabolic Enzyme/Protease
Vitamin D Related/Nuclear Receptor
Source data
