PEFCALCITOL

Search structure
Synonyms:
Status: Phase 3
Entry Type: Small molecule
Molecule Category: UNKNOWN
UNII: KT5224XSHW

Structure
InChI Key SVCSMAZYWOQCBW-NVJMFHFGSA-N
Smile C=C1/C(=C\C=C2/CCC[C@]3(C)C([C@H](C)OCC(=O)NCC(F)(F)C(F)(F)F)=CC[C@@H]23)C[C@@H](O)C[C@@H]1O
InChI
InChI=1S/C26H34F5NO4/c1-15-18(11-19(33)12-22(15)34)7-6-17-5-4-10-24(3)20(8-9-21(17)24)16(2)36-13-23(35)32-14-25(27,28)26(29,30)31/h6-8,16,19,21-22,33-34H,1,4-5,9-14H2,2-3H3,(H,32,35)/b17-6+,18-7-/t16-,19+,21-,22-,24+/m0/s1

Physicochemical Descriptors

Property Name Value
Molecular Formula C26H34F5NO4
Molecular Weight 519.55
AlogP 4.77
Hydrogen Bond Acceptor 4.0
Hydrogen Bond Donor 3.0
Number of Rotational Bond 7.0
Polar Surface Area 78.79
Molecular species NEUTRAL
Aromatic Rings 0.0
Heavy Atoms 36.0

Pharmacology

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

Indications

Mesh Heading Maximum Phase Mesh ID Reference
Psoriasis 3 D011565 ClinicalTrials

Related Entries

Scaffolds

Cross References

Resources Reference
ChEMBL CHEMBL3989862
DrugBank DB11786
FDA SRS KT5224XSHW
PubChem 16122802
SureChEMBL SCHEMBL2677532
ZINC ZINC000035308284
CONTENTS