ALFACALCIDOL

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Synonyms
Status
Molecule Category Free-form
ATC A11CC03
UNII URQ2517572
EPA CompTox DTXSID0022569

Structure

InChI Key OFHCOWSQAMBJIW-AVJTYSNKSA-N
Smiles C=C1/C(=C\C=C2/CCC[C@]3(C)[C@@H]([C@H](C)CCCC(C)C)CC[C@@H]23)C[C@@H](O)C[C@@H]1O
InChI
InChI=1S/C27H44O2/c1-18(2)8-6-9-19(3)24-13-14-25-21(10-7-15-27(24,25)5)11-12-22-16-23(28)17-26(29)20(22)4/h11-12,18-19,23-26,28-29H,4,6-10,13-17H2,1-3,5H3/b21-11+,22-12-/t19-,23-,24-,25+,26+,27-/m1/s1

Physicochemical Descriptors

Property Name Value
Molecular Formula C27H44O2
Molecular Weight 400.65
AlogP 6.59
Hydrogen Bond Acceptor 2.0
Hydrogen Bond Donor 2.0
Number of Rotational Bond 6.0
Polar Surface Area 40.46
Molecular species NEUTRAL
Aromatic Rings 0.0
Heavy Atoms 29.0

Pharmacology

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

Target Conservation

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

Related Entries

Cross References

Resources Reference
ChEBI 31186
ChEMBL CHEMBL1601669
DrugBank DB01436
DrugCentral 130
FDA SRS URQ2517572
Human Metabolome Database HMDB0015504
PDB M9B
PharmGKB PA164746469
PubChem 5282181
SureChEMBL SCHEMBL3063
ZINC ZINC000012484965
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