ILX23-7553

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Synonyms
Status
Molecule Category Free-form
UNII O13QTC8612

Structure

InChI Key JKFZMIQMKFWJAY-RQJQXFIZSA-N
Smiles 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

Mechanism of Action Action Reference
Vitamin D receptor agonist AGONIST PubMed

Target Conservation

Protein: Vitamin D receptor
Description: Vitamin D3 receptor
Organism : Homo sapiens
P11473 ENSG00000111424

Related Entries

Cross References

Resources Reference
ChEMBL CHEMBL284121
FDA SRS O13QTC8612
SureChEMBL SCHEMBL8671319
ZINC ZINC000003796979
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