Details of the Drug

General Information of Drug (ID: DMUNG4A)

Drug Name

Flumethasone

Synonyms

Flucorticin; Flumetasona; Flumetasona [INN-Spanish]; Flumetasone; Flumetasone [INN]; Flumetasonum; Flumetasonum [INN-Latin]; Flumethason; Flumethasonum; Fluvet; LR3CD8SX89; Methagon; RS 2177; RS-2177; U-10974; flumethasone; 2135-17-3; Anaprime; Aniprime; Cortexilar; Flucort (Veterinary); 6-alpha-Fluorodexamethasone; 6alpha,9-Difluoro-11beta,17,21-trihydroxy-16alpha-methylpregna-1,4-diene-3,20-dione; 6alpha,9alpha-Difluoro-16alpha-methylprednisolone; 6alpha-Fluorodexamethasone; CHEBI:34764; MLS000028618; NSC 54702; UNII-LR3CD8SX89

Indication

Disease Entry	ICD 11	Status	REF
Exanthem	N.A.	Approved	[1]
Granuloma annulare	N.A.	Approved	[1]
Primary cutaneous T-cell lymphoma	N.A.	Approved	[1]
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Structure

3D MOL

2D MOL

#Ro5 Violations (Lipinski): 0

Molecular Weight (mw)

410.5

Logarithm of the Partition Coefficient (xlogp)

1.9

Rotatable Bond Count (rotbonds)

Hydrogen Bond Donor Count (hbonddonor)

Hydrogen Bond Acceptor Count (hbondacc)

ADMET Property

Metabolism: The drug is metabolized via the hepatic []

Chemical Identifiers

Formula: C22H28F2O5
IUPAC Name: (6S,8S,9R,10S,11S,13S,14S,16R,17R)-6,9-difluoro-11,17-dihydroxy-17-(2-hydroxyacetyl)-10,13,16-trimethyl-6,7,8,11,12,14,15,16-octahydrocyclopenta[a]phenanthren-3-one
Canonical SMILES: CC1CC2C3CC(C4=CC(=O)C=CC4(C3(C(CC2(C1(C(=O)CO)O)C)O)F)C)F
InChI: WXURHACBFYSXBI-GQKYHHCASA-N
InChIKey: 1S/C22H28F2O5/c1-11-6-13-14-8-16(23)15-7-12(26)4-5-19(15,2)21(14,24)17(27)9-20(13,3)22(11,29)18(28)10-25/h4-5,7,11,13-14,16-17,25,27,29H,6,8-10H2,1-3H3/t11-,13+,14+,16+,17+,19+,20+,21+,22+/m1/s1

Cross-matching ID

PubChem CID: 16490
ChEBI ID: CHEBI:34764
CAS Number: 2135-17-3
DrugBank ID: DB00663
INTEDE ID: DR0707

Repurposed Drugs (RPD)

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Molecular Interaction Atlas of This Drug

Drug-Metabolizing Enzyme (DME)

DME Name	DME ID	UniProt ID	MOA	REF
Cytochrome P450 3A4 (CYP3A4)_{Main DME}	DE4LYSA	CP3A4_HUMAN	Substrate	[2]

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Drug Off-Target (DOT)

DOT Name	DOT ID	UniProt ID	Interaction	REF
Glucocorticoid receptor (NR3C1)	OTCI2YDI	GCR_HUMAN	Gene/Protein Processing	[3]
Mineralocorticoid receptor (NR3C2)	OT0F2V2Z	MCR_HUMAN	Gene/Protein Processing	[3]

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Molecular Interaction Atlas (MIA)

MIA Detail

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References

1	Flumethasone FDA Label
2	Prediction of cytochrome P450 isoform responsible for metabolizing a drug molecule. BMC Pharmacol. 2010 Jul 16;10:8.
3	Transactivation via the human glucocorticoid and mineralocorticoid receptor by therapeutically used steroids in CV-1 cells: a comparison of their glucocorticoid and mineralocorticoid properties. Eur J Endocrinol. 2004 Sep;151(3):397-406. doi: 10.1530/eje.0.1510397.