ELDECALCITOL

Search structure
Synonyms:
Status: Phase 3
Entry Type: Small molecule
Molecule Category: UNKNOWN
UNII: I2JP8UE90H

Structure
InChI Key FZEXGDDBXLBRTD-AYIMTCTASA-N
Smile C=C1/C(=C\C=C2/CCC[C@@]3(C)[C@H]2CC[C@@H]3[C@H](C)CCCC(C)(C)O)C[C@@H](O)[C@@H](OCCCO)[C@@H]1O
InChI
InChI=1S/C30H50O5/c1-20(9-6-15-29(3,4)34)24-13-14-25-22(10-7-16-30(24,25)5)11-12-23-19-26(32)28(27(33)21(23)2)35-18-8-17-31/h11-12,20,24-28,31-34H,2,6-10,13-19H2,1,3-5H3/b22-11+,23-12-/t20-,24-,25+,26-,27-,28-,30-/m1/s1

Physicochemical Descriptors

Property Name Value
Molecular Formula C30H50O5
Molecular Weight 490.73
AlogP 5.08
Hydrogen Bond Acceptor 5.0
Hydrogen Bond Donor 4.0
Number of Rotational Bond 10.0
Polar Surface Area 90.15
Molecular species NEUTRAL
Aromatic Rings 0.0
Heavy Atoms 35.0

Pharmacology

Action Mechanism of Action Reference
AGONIST Vitamin D receptor agonist PubMed Other KEGG

Indications

Mesh Heading Maximum Phase Mesh ID Reference
Osteoporosis 3 D010024 ClinicalTrials

Related Entries

MCS

Scaffolds

Cross References

Resources Reference
CAS NUMBER 104121-92-8
ChEBI 73927
ChEMBL CHEMBL4297608
DrugBank DB05295
DrugCentral 5169
FDA SRS I2JP8UE90H
Guide to Pharmacology 2783
PDB ED9
PubChem 6918141
SureChEMBL SCHEMBL5457151
ZINC ZINC000003934328
CONTENTS