ILX23-7553

Search structure
Synonyms:
Status: Phase 1
Entry Type: Small molecule
Molecule Category: UNKNOWN
UNII: O13QTC8612

Structure
InChI Key JKFZMIQMKFWJAY-RQJQXFIZSA-N
Smile C=C1/C(=C\C=C2/CCC[C@]3(C)C([C@H](C)CC#CC(C)(C)O)=CC[C@@H]23)C[C@@H](O)C[C@@H]1O
InChI
InChI=1S/C27H38O3/c1-18(8-6-14-26(3,4)30)23-12-13-24-20(9-7-15-27(23,24)5)10-11-21-16-22(28)17-25(29)19(21)2/h10-12,18,22,24-25,28-30H,2,7-9,13,15-17H2,1,3-5H3/b20-10+,21-11-/t18-,22-,24+,25+,27-/m1/s1

Physicochemical Descriptors

Property Name Value
Molecular Formula C27H38O3
Molecular Weight 410.6
AlogP 4.85
Hydrogen Bond Acceptor 3.0
Hydrogen Bond Donor 3.0
Number of Rotational Bond 3.0
Polar Surface Area 60.69
Molecular species NEUTRAL
Aromatic Rings 0.0
Heavy Atoms 30.0

Pharmacology

Action Mechanism of Action Reference
AGONIST Vitamin D receptor agonist PubMed

Related Entries

Scaffolds

Cross References

Resources Reference
ChEMBL CHEMBL284121
FDA SRS O13QTC8612
SureChEMBL SCHEMBL8671319
ZINC ZINC000003796979
CONTENTS