DIFLORASONE DIACETATE


Trade Names	DIFLORASONE DIACETATE FLORONE FLORONE E PSORCON PSORCON E
Synonyms	Diflorasone Diflorasone diacetate Florone Florone e Murode Psorcon Psorcon e U-34,865 U-34865
Status
Molecule Category	Free-form
UNII	7W2J09SCWX
EPA CompTox	DTXSID8045646


Active Pharmaceutical Ingredients Bioactive chemicals	Exact Similarity SubStructure	Threshold (%) >= 70

Structure


InChI Key	BOBLHFUVNSFZPJ-JOYXJVLSSA-N
Smiles	CC(=O)OCC(=O)[C@@]1(OC(C)=O)[C@@H](C)C[C@H]2[C@@H]3C[C@H](F)C4=CC(=O)C=C[C@]4(C)[C@@]3(F)[C@@H](O)C[C@@]21C
InChI	InChI=1S/C26H32F2O7/c1-13-8-17-18-10-20(27)19-9-16(31)6-7-23(19,4)25(18,28)21(32)11-24(17,5)26(13,35-15(3)30)22(33)12-34-14(2)29/h6-7,9,13,17-18,20-21,32H,8,10-12H2,1-5H3/t13-,17-,18-,20-,21-,23-,24-,25-,26-/m0/s1

Physicochemical Descriptors

Property Name	Value
Molecular Formula	C26H32F2O7
Molecular Weight	494.53
AlogP	2.99
Hydrogen Bond Acceptor	7.0
Hydrogen Bond Donor	1.0
Number of Rotational Bond	4.0
Polar Surface Area	106.97
Molecular species	NEUTRAL
Aromatic Rings	0.0
Heavy Atoms	35.0

Bioactivity

Mechanism of Action	Action	Reference
Glucocorticoid receptor agonist	AGONIST	PubMed


Protein: Glucocorticoid receptor Description: Glucocorticoid receptor Organism : Homo sapiens P04150 ENSG00000113580

Assay Description	Organism	Bioactivity	Reference
DRUGMATRIX: Progesterone radioligand binding (ligand: [3H] R-5020)	Bos taurus	116.0 nM		DRUGMATRIX: Progesterone radioligand binding (ligand: [3H] R-5020)	Bos taurus	15.0 nM
DRUGMATRIX: Glucocorticoid radioligand binding (ligand: [3H] Dexamethasone)	None	6.396 nM		DRUGMATRIX: Glucocorticoid radioligand binding (ligand: [3H] Dexamethasone)	None	2.907 nM

Cross References

Resources	Reference
ChEBI	31483
ChEMBL	CHEMBL1200545
DrugCentral	4485
FDA SRS	7W2J09SCWX
Guide to Pharmacology	7068
PharmGKB	PA164749408
PubChem	71414
SureChEMBL	SCHEMBL4556
ZINC	ZINC000004212938

CONTENTS


PREMIER has received funding from the Innovative Medicines Initiative 2 Joint Undertaking (JU) under grant agreement No 875508. The JU receives support from the EU’s Horizon 2020 research and innovation programme and the European Federation of Pharmaceutical Industries and Associations (EFPIA). The views reflect only the authors’ perspective and the JU is not responsible for any use that may be made of the information this manuscript contains. Elements of the website have been developed under projects PREMIER and the Biocenter Finland Drug Discovery and Chemical Biology network. CSC-IT is thanked for providing computational resources. Content of the website is provided without guarantee for correctness. Data has been collected and integrated from multiple public sources, for the largest: FDA, HUGO Gene Nomenclature Committee, ChEMBL, IUPHAR/BPS guide to pharmacology, Reactome, UniProt, and Ensembl. Credit is given to Ensembl for collecting species images (provided under public domain licences such as Wikimedia and NHGRI).

PREMIER has received funding from the Innovative Medicines Initiative 2 Joint Undertaking (JU) under grant agreement No 875508. The JU receives support from the EU’s Horizon 2020 research and innovation programme and the European Federation of Pharmaceutical Industries and Associations (EFPIA). The views reflect only the authors’ perspective and the JU is not responsible for any use that may be made of the information this manuscript contains.

Elements of the website have been developed under projects PREMIER and the Biocenter Finland Drug Discovery and Chemical Biology network. CSC-IT is thanked for providing computational resources. Content of the website is provided without guarantee for correctness. Data has been collected and integrated from multiple public sources, for the largest: FDA, HUGO Gene Nomenclature Committee, ChEMBL, IUPHAR/BPS guide to pharmacology, Reactome, UniProt, and Ensembl. Credit is given to Ensembl for collecting species images (provided under public domain licences such as Wikimedia and NHGRI).