ELOCALCITOL

Search structure
Synonyms:
Status: Phase 2
Entry Type: Small molecule
Molecule Category: UNKNOWN
UNII: 2WDS5F2V6Q

Structure
InChI Key XDBOQJCMEXOPMU-BAHYQGKPSA-N
Smile C=C1/C(=C\C=C2/CCC[C@]3(C)C([C@@H](C)C/C=C/C(O)(CC)CC)=CCC23)C[C@@H](O)C[C@@H]1O
InChI
InChI=1S/C29H44O3/c1-6-29(32,7-2)17-8-10-20(3)25-14-15-26-22(11-9-16-28(25,26)5)12-13-23-18-24(30)19-27(31)21(23)4/h8,12-14,17,20,24,26-27,30-32H,4,6-7,9-11,15-16,18-19H2,1-3,5H3/b17-8+,22-12+,23-13-/t20-,24+,26?,27-,28+/m0/s1

Physicochemical Descriptors

Property Name Value
Molecular Formula C29H44O3
Molecular Weight 440.67
AlogP 6.18
Hydrogen Bond Acceptor 3.0
Hydrogen Bond Donor 3.0
Number of Rotational Bond 7.0
Polar Surface Area 60.69
Molecular species NEUTRAL
Aromatic Rings 0.0
Heavy Atoms 32.0

Pharmacology

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

Related Entries

Scaffolds

Cross References

Resources Reference
ChEMBL CHEMBL3545094
FDA SRS 2WDS5F2V6Q
PubChem 11396600
SureChEMBL SCHEMBL17637812
CONTENTS