Details of the Drug

General Information of Drug (ID: DM45OJN)

Drug Name
Mometasone
Synonyms
Elocom; Mometasona; Mometasonum; Mometasona [Spanish]; Mometasonum [Latin]; Asmanex (TN); Elocon (TN); Mometasone (INN); Nasonex (TN); Twisthaler (TN); (+)-Mometasone; (8S,9R,10S,11S,13S,14S,16R,17R)-9-chloro-17-(2-chloroacetyl)-11,17-dihydroxy-10,13,16-trimethyl-6,7,8,11,12,14,15,16-octahydrocyclopenta[a]phenanthren-3-one; (9R,10S,11S,13S,14S,16R,17R)-9-chloro-17-(2-chloroacetyl)-11,17-dihydroxy-10,13,16-trimethyl-6,7,8,11,12,14,15,16-octahydrocyclopenta[a]phenanthren-3-one; 9,21-dichloro-11beta,17-dihydroxy-16alpha-methylpregna-1,4-diene-3,20-dione
Indication
Disease Entry ICD 11 Status REF
Allergic asthma CA23.0 Approved [1]
Allergic rhinitis CA08.0 Approved [1]
Exanthem N.A. Approved [1]
Granuloma annulare N.A. Approved [1]
Intrinsic asthma N.A. Approved [1]
Primary cutaneous T-cell lymphoma N.A. Approved [1]
Skin allergy 4A82 Approved [2]
Asthma CA23 Investigative [1]
Sinusitis CA0A.Z Investigative [1]
⏷ Show the Full List of Indication(s)
Therapeutic Class
Antiinflammatory Agents
Affected Organisms
Humans and other mammals
ATC Code
D07AC13: Mometasone
D07AC: Corticosteroids, potent (group III)
D07A: CORTICOSTEROIDS, PLAIN
D07: CORTICOSTEROIDS, DERMATOLOGICAL PREPARATIONS
D: DERMATOLOGICALS
D07XC03: Mometasone
D07XC: Corticosteroids, potent, other combinations
D07X: CORTICOSTEROIDS, OTHER COMBINATIONS
D07: CORTICOSTEROIDS, DERMATOLOGICAL PREPARATIONS
D: DERMATOLOGICALS
R01AD09: Mometasone
R01AD: Corticosteroids
R01A: DECONGESTANTS AND OTHER NASAL PREPARATIONS FOR TOPICAL USE
R01: NASAL PREPARATIONS
R: RESPIRATORY SYSTEM
R03BA07: Mometasone
R03BA: Glucocorticoids
R03B: OTHER DRUGS FOR OBSTRUCTIVE AIRWAY DISEASES, INHALANTS
R03: DRUGS FOR OBSTRUCTIVE AIRWAY DISEASES
R: RESPIRATORY SYSTEM
Drug Type
Small molecular drug
Structure
3D MOL 2D MOL
#Ro5 Violations (Lipinski): 0 Molecular Weight (mw) 427.4
Logarithm of the Partition Coefficient (xlogp) 2.7
Rotatable Bond Count (rotbonds) 2
Hydrogen Bond Donor Count (hbonddonor) 2
Hydrogen Bond Acceptor Count (hbondacc) 4
ADMET Property
BDDCS Class
Biopharmaceutics Drug Disposition Classification System (BDDCS) Class 2: low solubility and high permeability [3]
Clearance
The drug present in the plasma can be removed from the body at the rate of 12.7 mL/min/kg [4]
Elimination
0.5% of drug is excreted from urine in the unchanged form [3]
Half-life
The concentration or amount of drug in body reduced by one-half in 5.8 hours [4]
Metabolism
The drug is metabolized via the hepatic []
MRTD
The Maximum Recommended Therapeutic Dose (MRTD) of drug that ensured maximising efficacy and moderate side effect is 0.0219 micromolar/kg/day [5]
Unbound Fraction
The unbound fraction of drug in plasma is 0.01% [4]
Vd
Fluid volume that would be required to contain the amount of drug present in the body at the same concentration as in the plasma 2.2 L/kg [4]
Chemical Identifiers
Formula
C22H28Cl2O4
IUPAC Name
(8S,9R,10S,11S,13S,14S,16R,17R)-9-chloro-17-(2-chloroacetyl)-11,17-dihydroxy-10,13,16-trimethyl-6,7,8,11,12,14,15,16-octahydrocyclopenta[a]phenanthren-3-one
Canonical SMILES
C[C@@H]1C[C@H]2[C@@H]3CCC4=CC(=O)C=C[C@@]4([C@]3([C@H](C[C@@]2([C@]1(C(=O)CCl)O)C)O)Cl)C
InChI
InChI=1S/C22H28Cl2O4/c1-12-8-16-15-5-4-13-9-14(25)6-7-19(13,2)21(15,24)17(26)10-20(16,3)22(12,28)18(27)11-23/h6-7,9,12,15-17,26,28H,4-5,8,10-11H2,1-3H3/t12-,15+,16+,17+,19+,20+,21+,22+/m1/s1
InChIKey
QLIIKPVHVRXHRI-CXSFZGCWSA-N
Cross-matching ID
PubChem CID
441335
ChEBI ID
CHEMBL1201404
CAS Number
105102-22-5
UNII
8HR4QJ6DW8
DrugBank ID
DB00764
TTD ID
D03HYX
INTEDE ID
DR1107
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Molecular Interaction Atlas of This Drug


Drug Therapeutic Target (DTT)
DTT Name DTT ID UniProt ID MOA REF
Glucocorticoid receptor (NR3C1) TTYRL6O GCR_HUMAN Agonist [6]

Drug-Metabolizing Enzyme (DME)
DME Name DME ID UniProt ID MOA REF
Cytochrome P450 3A4 (CYP3A4)
Main DME 		DE4LYSA CP3A4_HUMAN Substrate [7]
Molecular Interaction Atlas (MIA) Jump to Detail Molecular Interaction Atlas of This Drug

References

1 Mometasone FDA Label
2 Natural products as sources of new drugs over the last 25 years. J Nat Prod. 2007 Mar;70(3):461-77.
3 BDDCS applied to over 900 drugs
4 Trend Analysis of a Database of Intravenous Pharmacokinetic Parameters in Humans for 1352 Drug Compounds
5 Estimating the safe starting dose in phase I clinical trials and no observed effect level based on QSAR modeling of the human maximum recommended daily dose
6 Mometasone furoate is a less specific glucocorticoid than fluticasone propionate. Eur Respir J. 2002 Dec;20(6):1386-92.
7 Regulation of drug-metabolizing cytochrome P450 enzymes by glucocorticoids. Drug Metab Rev. 2010 Nov;42(4):621-35.