Details of the Drug

General Information of Drug (ID: DMJ90O5)

Drug Name

Medrysone

Synonyms

Hydroxymesterone; Medrifar; Medritonic; Medrocort; Visudrisone; Medrysone (USAN); U-8471; (6S,8S,9S,10R,11S,13S,14S,17S)-17-acetyl-11-hydroxy-6,10,13-trimethyl-1,2,6,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-3-one; 11.beta.-Hydroxy-6.alpha.-methylpregn-4-ene-3,20-dione; 11.beta.-Hydroxy-6.alpha.-methylprogesterone; 11beta-Hydroxy-6alpha-methyl-4-pregnene-3,20-dione; 11beta-Hydroxy-6alpha-methylpregn-4-ene-3,20-dione; 6.alpha.-Methyl-11.beta.-hydroxyprogesterone

Indication

Disease Entry	ICD 11	Status	REF
Corneal abrasion	NA06.4	Approved	[1]
Corneal ulcer	9A76	Approved	[1]
Eye inflammation	9A02	Approved	[2]
Rosacea	ED90.0	Approved	[1]
Iridocyclitis	N.A.	Investigative	[1]
Uveitis	9A96.Z	Investigative	[1]
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Drug Type

Small molecular drug

Structure

3D MOL

2D MOL

#Ro5 Violations (Lipinski): 0

Molecular Weight (mw)

344.5

Logarithm of the Partition Coefficient (xlogp)

2.7

Rotatable Bond Count (rotbonds)

Hydrogen Bond Donor Count (hbonddonor)

Hydrogen Bond Acceptor Count (hbondacc)

ADMET Property

Absorption: The drug is rapidly absorbed following oral administration []

Chemical Identifiers

Formula: C22H32O3
IUPAC Name: (6S,8S,9S,10R,11S,13S,14S,17S)-17-acetyl-11-hydroxy-6,10,13-trimethyl-1,2,6,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-3-one
Canonical SMILES: C[C@H]1C[C@H]2[C@@H]3CC[C@@H]([C@]3(C[C@@H]([C@@H]2[C@@]4(C1=CC(=O)CC4)C)O)C)C(=O)C
InChI: InChI=1S/C22H32O3/c1-12-9-15-17-6-5-16(13(2)23)22(17,4)11-19(25)20(15)21(3)8-7-14(24)10-18(12)21/h10,12,15-17,19-20,25H,5-9,11H2,1-4H3/t12-,15-,16+,17-,19-,20+,21-,22+/m0/s1
InChIKey: GZENKSODFLBBHQ-ILSZZQPISA-N

Cross-matching ID

PubChem CID: 247839
ChEBI ID: CHEBI:34829
CAS Number: 2668-66-8
DrugBank ID: DB00253
TTD ID: D04SFH
INTEDE ID: DR1013

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
Steroid hormone receptor ERR (ESRR)	TTP3UTW	ERR1_HUMAN ; ERR2_HUMAN ; ERR3_HUMAN	Modulator	[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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References

1	Medrysone FDA Label
2	URL: http://www.guidetopharmacology.org Nucleic Acids Res. 2015 Oct 12. pii: gkv1037. The IUPHAR/BPS Guide to PHARMACOLOGY in 2016: towards curated quantitative interactions between 1300 protein targets and 6000 ligands. (Ligand id: 7086).
3	Drugs@FDA. U.S. Food and Drug Administration. U.S. Department of Health & Human Services.
4	Regulation of drug-metabolizing cytochrome P450 enzymes by glucocorticoids. Drug Metab Rev. 2010 Nov;42(4):621-35.