PARICALCITOL

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Trade Names
Synonyms
Status
Molecule Category Free-form
ATC H05BX02
UNII 6702D36OG5
EPA CompTox DTXSID4048640

Structure

InChI Key BPKAHTKRCLCHEA-UBFJEZKGSA-N
Smiles C[C@H](/C=C/[C@H](C)C(C)(C)O)[C@H]1CC[C@H]2/C(=C/C=C3C[C@@H](O)C[C@H](O)C3)CCC[C@]12C
InChI
InChI=1S/C27H44O3/c1-18(8-9-19(2)26(3,4)30)24-12-13-25-21(7-6-14-27(24,25)5)11-10-20-15-22(28)17-23(29)16-20/h8-11,18-19,22-25,28-30H,6-7,12-17H2,1-5H3/b9-8+,21-11+/t18-,19+,22-,23-,24-,25+,27-/m1/s1

Physicochemical Descriptors

Property Name Value
Molecular Formula C27H44O3
Molecular Weight 416.65
AlogP 5.56
Hydrogen Bond Acceptor 3.0
Hydrogen Bond Donor 3.0
Number of Rotational Bond 5.0
Polar Surface Area 60.69
Molecular species NEUTRAL
Aromatic Rings 0.0
Heavy Atoms 30.0

Pharmacology

Mechanism of Action Action Reference
Vitamin D receptor agonist AGONIST DailyMed
EC50(nM) IC50(nM) Kd(nM) Ki(nM) Inhibition(%)
Homo sapiens
12.5 - - - -

Target Conservation

Protein: Vitamin D receptor
Description: Vitamin D3 receptor
Organism : Homo sapiens
P11473 ENSG00000111424

Related Entries

Cross References

Resources Reference
ChEBI 7931
ChEMBL CHEMBL1200622
DrugBank DB00910
DrugCentral 2066
FDA SRS 6702D36OG5
Human Metabolome Database HMDB0015046
Guide to Pharmacology 2791
KEGG C08127
PharmGKB PA450798
PubChem 5281104
SureChEMBL SCHEMBL3655
ZINC ZINC000013911941
CONTENTS