Details of the Drug

General Information of Drug (ID: DM6PR40)

Drug Name

Paramethasone

Synonyms

Cassenne; Cortiden; Dillar; Flumethone; Metilar; Parametasona; Parametasone; Paramethasonum; Paramezone; Parametasone [DCIT]; CS 1483; Dillar (TN); Parametasona [INN-Spanish]; Paramethasone (INN); Paramethasone [INN:BAN]; Paramethasonum [INN-Latin]; (6S,8S,9S,10R,11S,13S,14S,16R,17R)-6-fluoro-11,17-dihydroxy-17-(2-hydroxyacetyl)-10,13,16-trimethyl-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-3-one; (6alpha,11beta,16alpha)-6-fluoro-11,17,21-trihydroxy-16-methylpregna-1,4-diene-3,20-dione; 16alpha-Methyl-6alpha-fluoroprednisolone; 6alpha-Fluoro-16alpha-methylprednisolone

Indication

Disease Entry	ICD 11	Status	REF
Inflammation	1A00-CA43.1	Approved	[1]
Diabetic macular edema	9B71.02	Phase 3	[2]
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Therapeutic Class

Antiinflammatory Agents

Drug Type

Small molecular drug

Structure

3D MOL

2D MOL

#Ro5 Violations (Lipinski): 0

Molecular Weight (mw)

392.5

Logarithm of the Partition Coefficient (xlogp)

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: C22H29FO5
IUPAC Name: (6S,8S,9S,10R,11S,13S,14S,16R,17R)-6-fluoro-11,17-dihydroxy-17-(2-hydroxyacetyl)-10,13,16-trimethyl-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-3-one
Canonical SMILES: C[C@@H]1C[C@H]2[C@@H]3C[C@@H](C4=CC(=O)C=C[C@@]4([C@H]3[C@H](C[C@@]2([C@]1(C(=O)CO)O)C)O)C)F
InChI: InChI=1S/C22H29FO5/c1-11-6-14-13-8-16(23)15-7-12(25)4-5-20(15,2)19(13)17(26)9-21(14,3)22(11,28)18(27)10-24/h4-5,7,11,13-14,16-17,19,24,26,28H,6,8-10H2,1-3H3/t11-,13+,14+,16+,17+,19-,20+,21+,22+/m1/s1
InChIKey: MKPDWECBUAZOHP-AFYJWTTESA-N

Cross-matching ID

PubChem CID: 5875
ChEBI ID: CHEBI:7922
CAS Number: 53-33-8
DrugBank ID: DB01384
TTD ID: D03IKT
INTEDE ID: DR1240

Repurposed Drugs (RPD)

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Molecular Interaction Atlas of This Drug

Drug Therapeutic Target (DTT)

DTT Name	DTT ID	UniProt ID	MOA	REF
Corticosteroid-binding globulin (SERPINA6)	TTJL8VG	CBG_HUMAN	Binder	[3]

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Drug-Metabolizing Enzyme (DME)

DME Name	DME ID	UniProt ID	MOA	REF
Cytochrome P450 3A4 (CYP3A4)_{Main DME}	DE4LYSA	CP3A4_HUMAN	Substrate	[4]

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Molecular Interaction Atlas (MIA)

MIA Detail

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Molecular Expression Atlas of This Drug

The Studied Disease

Inflammation

ICD Disease Classification

1A00-CA43.1

Molecule Name	Molecule Type	Gene Name	p-value	Fold-Change	Z-score
Corticosteroid-binding globulin (SERPINA6)	DTT	SERPINA6	3.29E-04	-0.2	-0.2
Cytochrome P450 3A4 (CYP3A4)	DME	CYP3A4	6.90E-01	2.35E-02	7.88E-02

Molecular Expression Atlas (MEA)

MEA Detail

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References

1	FDA Approved Drug Products from FDA Official Website. 2009. Application Number: (NDA) 012772.
2	Drugs@FDA. U.S. Food and Drug Administration. U.S. Department of Health & Human Services. 2015
3	Novel human corticosteroid-binding globulin variant with low cortisol-binding affinity. J Clin Endocrinol Metab. 2000 Jan;85(1):361-7.
4	Regulation of drug-metabolizing cytochrome P450 enzymes by glucocorticoids. Drug Metab Rev. 2010 Nov;42(4):621-35.