Structure

InChI Key OFHCOWSQAMBJIW-AVJTYSNKSA-N
Smile C=C1/C(=C\C=C2/CCC[C@@]3(C)[C@H]2CC[C@@H]3[C@H](C)CCCC(C)C)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

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

Indications

Mesh Heading Maximum Phase Mesh ID Reference
Muscular Diseases 3 D009135 ClinicalTrials
Osteoporosis, Postmenopausal 3 D015663 ClinicalTrials
Osteoporosis 3 D010024 ClinicalTrials
Scoliosis 2 D012600 ClinicalTrials
Polycystic Ovary Syndrome 2 D011085 ClinicalTrials
Renal Insufficiency 2 D051437 ClinicalTrials
Calcinosis 2 D002114 ClinicalTrials
Death, Sudden, Cardiac 2 D016757 ClinicalTrials

Related Entries

MCS

Scaffolds

Cross References

Resources Reference
CAS NUMBER 41294-56-8
ChEBI 31186
ChEMBL CHEMBL1601669
DrugBank DB01436
DrugCentral 130
EPA CompTox DTXSID0022569
FDA SRS URQ2517572
Human Metabolome Database HMDB0015504
PDB M9B
PharmGKB PA164746469
PubChem 5282181
SureChEMBL SCHEMBL3063
ZINC ZINC000012484965