Details of the Drug

General Information of Drug (ID: DMB1N6P)

• Drug Name: Impoyz
• Synonyms: Clobetasol propionate; CLOBETASOL PROPIONATE; 25122-46-7; Clobetasol 17-propionate; Clobex; Temovate; Dermovate; Embeline; Embeline E; Clobesol; Cormax; Olux; Temovate E; Olux-E; clobetasol 17-propanoate; GR 2/925; C25H32ClFO5; MLS000028708; Clobestasol propionate; Clobetasol propionate [USAN:JAN]; CGP 9555; CCI 4725; EINECS 246-634-3; 21-Chloro-9-fluoro-11beta,17-dihydroxy-16beta-methylpregna-1,4-diene-3,20-dione 17-propionate; UNII-779619577M; [(8S,9R,10S,11S,13S,14S,16S,17R)-17-(2-chloroacetyl)-9-fluoro-11-hydroxy-10,13,16-trimethyl-3-oxo-6,7,8,11,12

Indication

Disease Entry	ICD 11	Status	REF
Scalp dermatosis	N.A.	Approved	[1]
Plaque psoriasis	EA90.0	Phase 2	[2]

• #Ro5 Violations (Lipinski): 0:
  Molecular Weight (mw); 467
  Logarithm of the Partition Coefficient (xlogp); 3.8
  Rotatable Bond Count (rotbonds); 5
  Hydrogen Bond Donor Count (hbonddonor); 1
  Hydrogen Bond Acceptor Count (hbondacc); 6
• ADMET Property:
  Absorption Cmax: The maximum plasma concentration (Cmax) of drug is 59 +/- 36 ng/L [3]
  Absorption Tmax: The time to maximum plasma concentration (Tmax) is 5 h [3]
  Metabolism: The drug is metabolized via the liver [4]
  MRTD: The Maximum Recommended Therapeutic Dose (MRTD) of drug that ensured maximising efficacy and moderate side effect is 0.10926 micromolar/kg/day [5]
• Chemical Identifiers:
  Formula: C25H32ClFO5
  IUPAC Name: [(8S,9R,10S,11S,13S,14S,16S,17R)-17-(2-chloroacetyl)-9-fluoro-11-hydroxy-10,13,16-trimethyl-3-oxo-6,7,8,11,12,14,15,16-octahydrocyclopenta[a]phenanthren-17-yl] propanoate
  Canonical SMILES: CCC(=O)O[C@@]1([C@H](C[C@@H]2[C@@]1(C[C@@H]([C@]3([C@H]2CCC4=CC(=O)C=C[C@@]43C)F)O)C)C)C(=O)CCl
  InChI: InChI=1S/C25H32ClFO5/c1-5-21(31)32-25(20(30)13-26)14(2)10-18-17-7-6-15-11-16(28)8-9-22(15,3)24(17,27)19(29)12-23(18,25)4/h8-9,11,14,17-19,29H,5-7,10,12-13H2,1-4H3/t14-,17-,18-,19-,22-,23-,24-,25-/m0/s1
  InChIKey: CBGUOGMQLZIXBE-XGQKBEPLSA-N
• Cross-matching ID:
  PubChem CID: 32798
  ChEBI ID: CHEBI:31414
  CAS Number: 25122-46-7
  DrugBank ID: DB01013
  TTD ID: D0H0YD
  INTEDE ID: DR0344
  ACDINA ID: D00954
• Repurposed Drugs (RPD): Click to Jump to the Detailed RPD Information of This Drug

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	[6]

Drug Off-Target (DOT)

DOT Name	DOT ID	UniProt ID	Interaction	REF
Cytochrome P450 1A1 (CYP1A1)	OTE4EFH8	CP1A1_HUMAN	Gene/Protein Processing	[7]
Cytochrome P450 3A5 (CYP3A5)	OTSXFBXB	CP3A5_HUMAN	Gene/Protein Processing	[8]
Glutamate--cysteine ligase catalytic subunit (GCLC)	OTESDI4D	GSH1_HUMAN	Gene/Protein Processing	[8]
Multidrug resistance-associated protein 1 (ABCC1)	OTGUN89S	MRP1_HUMAN	Gene/Protein Processing	[8]
Nuclear receptor subfamily 1 group I member 2 (NR1I2)	OTC5U0N5	NR1I2_HUMAN	Gene/Protein Processing	[9]

Drug Inactive Ingredient(s) (DIG) and Formulation(s) of This Drug

DIG

DIG Name	DIG ID	PubChem CID	Functional Classification
Cetyl alcohol	E00061	2682	Coating agent; Emollient; Emulsifying agent; Stiffening agent
Kyselina citronova	E00014	311	Acidulant; Antioxidant; Buffering agent; Complexing agent; Flavoring agent
Ethanol	E00023	702	Antimicrobial preservative; Penetration agent; Solvent
Potassium citrate	E00225	13344	Alkalizing agent; Buffering agent; Complexing agent
Propylene glycol	E00040	1030	Antimicrobial preservative; Humectant; Plasticizing agent; Solvent
Stearyl alcohol	E00172	8221	Emollient; Emulsifying agent; Stiffening agent; Viscosity-controlling agent
Water	E00035	962	Solvent
Butane	E00155	7843	Aerosol propellant
Propane	E00115	6334	Aerosol propellant
Polysorbate 60	E00715	Not Available	Dispersing agent; Emollient; Emulsifying agent; Surfactant; Plasticizing agent; Solubilizing agent; Suspending agent

Pharmaceutical Formulation

Formulation Name	Drug Dosage	Dosage Form	Route
Clobetasol Propionate 0.05% aerosol	0.05%	Aerosol	Inhalation

Jump to Detail Pharmaceutical Formulation Page of This Drug

References

• [1] Post-traumatic erosive dermatosis of the scalp: A?hypergranulated variant. Australas J Dermatol. 2019 Nov;60(4):e322-e326.
• [2] Clinical pipeline report, company report or official report of the Pharmaceutical Research and Manufacturers of America (PhRMA)
• [3] FDA Approved Drug Products: Olux-E Clobetasol Propionate Topical Aerosol Foam
• [4] Urichuk L, Prior TI, Dursun S, Baker G: Metabolism of atypical antipsychotics: involvement of cytochrome p450 enzymes and relevance for drug-drug interactions. Curr Drug Metab. 2008 Jun;9(5):410-8.
• [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] Cytochrome p450: a target for drug development for skin diseases. J Invest Dermatol. 2004 Sep;123(3):417-25.
• [7] Retinoic acid antagonizes basal as well as coal tar and glucocorticoid-induced cytochrome P4501A1 expression in human skin. Carcinogenesis. 1995 Mar;16(3):519-24.
• [8] Regulation of cutaneous drug-metabolizing enzymes and cytoprotective gene expression by topical drugs in human skin in vivo. Br J Dermatol. 2006 Aug;155(2):275-81.
• [9] Screening of a chemical library reveals novel PXR-activating pharmacologic compounds. Toxicol Lett. 2015 Jan 5;232(1):193-202. doi: 10.1016/j.toxlet.2014.10.009. Epub 2014 Oct 16.