lexacalcitol

Ligand id: 2775

Name: lexacalcitol

Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 4
Hydrogen bond donors 3
Rotatable bonds 9
Topological polar surface area 69.92
Molecular weight 460.36
XLogP 5.45
No. Lipinski's rules broken 1

Molecular properties generated using the CDK

Classification
Compound class Synthetic organic
IUPAC Name
(1R,3S,5Z)-5-[(2E)-2-[(1S,3aS,7aS)-1-[(1R)-1-(4-ethyl-4-hydroxyhexoxy)ethyl]-7a-methyl-2,3,3a,5,6,7-hexahydro-1H-inden-4-ylidene]ethylidene]-4-methylidenecyclohexane-1,3-diol
International Nonproprietary Names
INN number INN
7255 lexacalcitol
Synonyms
1α,25-(OH),-20-epi-22-oxa-24,26,27-trishomovitamin D | KH1060
Database Links
CAS Registry No. 131875-08-6 (source: Scifinder)
ChEMBL Ligand CHEMBL432600
NURSA Ligand 10.1621/R2UKGSZB5C
PubChem CID 5288670
RCSB PDB Ligand KH1
Search Google for chemical match using the InChIKey KLZOTDOJMRMLDX-YBBVPDDNSA-N
Search Google for chemicals with the same backbone KLZOTDOJMRMLDX
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Search UniChem for chemical match using the InChIKey KLZOTDOJMRMLDX-YBBVPDDNSA-N
Search UniChem for chemicals with the same backbone KLZOTDOJMRMLDX
SynPHARM 6447 (in complex with Vitamin D receptor)