General
Preferred name
DOXERCALCIFEROL
Synonyms
Doxercalciferol-D3 ()
1.alpha.-Hydroxyvitamin D2 ()
1??-hydroxyvitamin D2 ()
Hectorol ()
TSA 840 ()
1¦Á-hydroxyvitamin D2 ()
1.alpha.-hydroxyergocalciferol ()
1-.alpha.-hydroxyergocalciferol ()
GZ427397 ()
1-hydroxyergocalciferol ()
1-alpha-hydroxyergocalciferol ()
TSA-840 ()
P&D ID
PD012246
CAS
54573-75-0
Tags
prodrug
natural product
drug
available
Approved by
FDA
First approval
1999
Drug Status
approved
Drug indication
Chronic kidney disease
Max Phase
Phase 4
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()] ]]
Description
(extracted from source data)
DESCRIPTION
Doxercalciferol is a synthetic analogue of vitamin D2 (ergocalciferol).
(GtoPdb)
[[ p.pathway_name ]]
[[ compound.targets[tid].gene_name ]]
Compound Sets
20
Axon Medchem Screening Library
ChEMBL Approved Drugs
ChEMBL Drugs
Concise Guide to Pharmacology 2017/18
Concise Guide to Pharmacology 2019/20
Concise Guide to Pharmacology 2021/22
Concise Guide to Pharmacology 2023/24
DrugBank
DrugBank Approved Drugs
DrugCentral
DrugCentral Approved Drugs
DrugMAP
DrugMAP Approved Drugs
EUbOPEN Chemogenomics Library
Guide to Pharmacology
MedChem Express Bioactive Compound Library
NCATS Inxight Approved Drugs
NPC Screening Collection
Other bioactive compounds
TargetMol Bioactive Compound Library
[[ a.name ]]
[[ ligand_id ]]
free of charge
External IDs
35
Molecular Weight
412.33
Hydrogen Bond Acceptors
2
Hydrogen Bond Donors
2
Rotatable Bonds
5
Ring Count
3
Aromatic Ring Count
0
cLogP
6.61
TPSA
40.46
Fraction CSP3
0.71
Chiral centers
7.0
Largest ring
6.0
QED
0.5
Structural alerts
0
No structural alerts detected
Related compounds
Custom attributes
(extracted from source data)
Target
VD/VDR
VDR agonist
Pathway
Vitamin D Related
Vitamin D Related/Nuclear Receptor
Source data
