BECOCALCIDIOL

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Synonyms
Status
Molecule Category Free-form
UNII N75R59YD0F
EPA CompTox DTXSID50415362

Structure

InChI Key QSLUXQQUPXBIHH-YHSKWIAJSA-N
Smiles C=C1[C@H](O)CC(=C/C=C2\CCC[C@]3(C)[C@@H]([C@@H](C)CC)CC[C@@H]23)C[C@H]1O
InChI
InChI=1S/C23H36O2/c1-5-15(2)19-10-11-20-18(7-6-12-23(19,20)4)9-8-17-13-21(24)16(3)22(25)14-17/h8-9,15,19-22,24-25H,3,5-7,10-14H2,1-2,4H3/b18-9+/t15-,19+,20-,21+,22+,23+/m0/s1

Physicochemical Descriptors

Property Name Value
Molecular Formula C23H36O2
Molecular Weight 344.54
AlogP 5.17
Hydrogen Bond Acceptor 2.0
Hydrogen Bond Donor 2.0
Number of Rotational Bond 3.0
Polar Surface Area 40.46
Molecular species NEUTRAL
Aromatic Rings 0.0
Heavy Atoms 25.0

Pharmacology

Mechanism of Action Action Reference
Vitamin D receptor agonist AGONIST Other

Target Conservation

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

Related Entries

Cross References

Resources Reference
ChEMBL CHEMBL2104955
DrugBank DB04891
FDA SRS N75R59YD0F
PDB VD1
PubChem 5289547
SureChEMBL SCHEMBL9009928
ZINC ZINC000013975113
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