paricalcitol

Ligand id: 2791

Name: paricalcitol

Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 3
Hydrogen bond donors 3
Rotatable bonds 5
Topological polar surface area 60.69
Molecular weight 416.33
XLogP 6.14
No. Lipinski's rules broken 1

Molecular properties generated using the CDK

Classification
Compound class Metabolite or derivative
Approved drug? Yes (FDA (1998))
IUPAC Name
(1R,3R)-5-[(2E)-2-[(1R,3aS,7aR)-1-[(E,2R,5S)-6-hydroxy-5,6-dimethylhept-3-en-2-yl]-7a-methyl-2,3,3a,5,6,7-hexahydro-1H-inden-4-ylidene]ethylidene]cyclohexane-1,3-diol
International Nonproprietary Names
INN number INN
7688 paricalcitol
Synonyms
Zemplar®
Database Links
CAS Registry No. 131918-61-1 (source: Scifinder)
ChEMBL Ligand CHEMBL1200622
DrugBank Ligand DB00910
NURSA Ligand 10.1621/HL2JKX6QVI
PubChem CID 5281104
Search Google for chemical match using the InChIKey BPKAHTKRCLCHEA-UBFJEZKGSA-N
Search Google for chemicals with the same backbone BPKAHTKRCLCHEA
Search PubMed clinical trials paricalcitol
Search PubMed titles paricalcitol
Search PubMed titles/abstracts paricalcitol
Search UniChem for chemical match using the InChIKey BPKAHTKRCLCHEA-UBFJEZKGSA-N
Search UniChem for chemicals with the same backbone BPKAHTKRCLCHEA
Wikipedia Paricalcitol
Comments
Vitamin D receptor agonist