DOXERCALCIFEROL

Search structure
Trade Names:
Synonyms:
Status: Approved (1999)
Entry Type: Small molecule
Molecule Category: UNKNOWN
ATC: H05BX03
UNII: 3DIZ9LF5Y9

Structure
InChI Key HKXBNHCUPKIYDM-CGMHZMFXSA-N
Smile C=C1/C(=C\C=C2/CCC[C@@]3(C)[C@H]2CC[C@@H]3[C@H](C)/C=C/[C@H](C)C(C)C)C[C@@H](O)C[C@@H]1O
InChI
InChI=1S/C28H44O2/c1-18(2)19(3)9-10-20(4)25-13-14-26-22(8-7-15-28(25,26)6)11-12-23-16-24(29)17-27(30)21(23)5/h9-12,18-20,24-27,29-30H,5,7-8,13-17H2,1-4,6H3/b10-9+,22-11+,23-12-/t19-,20+,24+,25+,26-,27-,28+/m0/s1

Physicochemical Descriptors

Property Name Value
Molecular Formula C28H44O2
Molecular Weight 412.66
AlogP 6.61
Hydrogen Bond Acceptor 2.0
Hydrogen Bond Donor 2.0
Number of Rotational Bond 5.0
Polar Surface Area 40.46
Molecular species NEUTRAL
Aromatic Rings 0.0
Heavy Atoms 30.0

Pharmacology

Action Mechanism of Action Reference
AGONIST Vitamin D receptor agonist PubMed PubMed PubMed DailyMed

Indications

Mesh Heading Maximum Phase Mesh ID Reference
Renal Insufficiency, Chronic 4 D051436 ClinicalTrials
Psoriasis 2 D011565 ClinicalTrials
Prostatic Neoplasms, Castration-Resistant 2 D064129 ClinicalTrials
Neoplasms 1 D009369 ClinicalTrials

Related Entries

MCS

Scaffolds

Side Effects from Label

Side effects Relative Frequency (%) Labels
General disorders and administration site conditions Oedema 34.4
General disorders and administration site conditions Discomfort 27.9
General disorders and administration site conditions Feeling abnormal 27.9
Nervous system disorders Headache 27.9
General disorders and administration site conditions Ill-defined disorder 27.9
General disorders and administration site conditions Malaise 27.9
Gastrointestinal disorders Nausea 21.3
General disorders and administration site conditions Oedema
Gastrointestinal disorders Vomiting 21.3
General disorders and administration site conditions Discomfort
General disorders and administration site conditions Feeling abnormal
General disorders and administration site conditions Ill-defined disorder
General disorders and administration site conditions Malaise
Gastrointestinal disorders Nausea
Gastrointestinal disorders Vomiting
Nervous system disorders Headache
Cardiac disorders Dizziness 11.5
Cardiac disorders Dyspnoea 11.5
Cardiac disorders Dizziness
Skin and subcutaneous tissue disorders Pruritus 8.2
Cardiac disorders Bradycardia 6.6
Cardiac disorders Dyspnoea
Skin and subcutaneous tissue disorders Pruritus
Musculoskeletal and connective tissue disorders Arthralgia 4.9
Cardiac disorders Bradycardia
General disorders and administration site conditions Decreased appetite 4.9
Gastrointestinal disorders Dyspepsia 4.9
Musculoskeletal and connective tissue disorders Musculoskeletal discomfort 4.9
Investigations Weight increased 4.9
Infections and infestations Abscess 3.3
Gastrointestinal disorders Constipation
Gastrointestinal disorders Constipation 3.3
General disorders and administration site conditions Decreased appetite
Psychiatric disorders Sleep disorder 3.3
Gastrointestinal disorders Dyspepsia

Adverse Reactions

SOC By Demographic Distribution
System Organ Classification (SOC)
Relative Frequency (%)
General disorders and administration site conditions
15.31
Cardiac disorders
12.83
Skin and subcutaneous tissue disorders
12.79
Respiratory, thoracic and mediastinal disorders
11.83
Nervous system disorders
8.57
Immune system disorders
7.86
Gastrointestinal disorders
7.49
Vascular disorders
6.38
Musculoskeletal and connective tissue disorders
4.86
Psychiatric disorders
4.12
Investigations
3.97

Cross References

Resources Reference
CAS NUMBER 54573-75-0
ChEBI 4712
ChEMBL CHEMBL1200810
DrugBank DB06410
DrugCentral 957
EPA CompTox DTXSID1034214
FDA SRS 3DIZ9LF5Y9
Guide to Pharmacology 2790
KEGG C08211
PDB V2H
PubChem 5281107
SureChEMBL SCHEMBL322422
ZINC ZINC000004641374
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