Details of the Drug

General Information of Drug (ID: DM3GB6S)

• Drug Name: Halobetasol Propionate
• Synonyms: Halobetasol; Miracorten; Ultravate; Halobetasol propionate [USAN]; Ulobetasol cream; Ulobetasol propionate; BMY 30056; CGP 14 458; CGP 14458; BMY-30056; CGP-14458; Halobetasol propionate (USAN); Ultravate (TN); [(6S,9R,16S,17R)-17-(2-chloroacetyl)-6,9-difluoro-11-hydroxy-10,13,16-trimethyl-3-oxo-6,7,8,11,12,14,15,16-octahydrocyclopenta[a]phenanthren-17-yl] propanoate; [(6S,8S,9R,10S,11S,13S,14S,16S,17R)-17-(2-chloroacetyl)-6,9-difluoro-11-hydroxy-10,13,16-trimethyl-3-oxo-6,7,8,11,12,14,15,16-octahydrocyclopenta[a]phenanthren-17-yl] propanoate; 21-Chloro-6alpha,9-difluoro-11beta,17-dihydroxy-16beta-methylpregna-1,4-diene-3,20-dione 17-propionate; 6 alpha-fluoroclobetasol 17-propionate; 6-fluoroclobetasol 17-propionate

Indication

Disease Entry	ICD 11	Status	REF
Inflammation	1A00-CA43.1	Approved	[1]

• Therapeutic Class: Antiinflammatory Agents
• Drug Type: Small molecular drug
• #Ro5 Violations (Lipinski): 0:
  Molecular Weight (mw); 485
  Logarithm of the Partition Coefficient (xlogp); 3.7
  Rotatable Bond Count (rotbonds); 5
  Hydrogen Bond Donor Count (hbonddonor); 1
  Hydrogen Bond Acceptor Count (hbondacc); 7
• Chemical Identifiers:
  Formula: C25H31ClF2O5
  IUPAC Name: [(6S,8S,9R,10S,11S,13S,14S,16S,17R)-17-(2-chloroacetyl)-6,9-difluoro-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]2C[C@@H](C4=CC(=O)C=C[C@@]43C)F)F)O)C)C)C(=O)CCl
  InChI: InChI=1S/C25H31ClF2O5/c1-5-21(32)33-25(20(31)12-26)13(2)8-15-16-10-18(27)17-9-14(29)6-7-22(17,3)24(16,28)19(30)11-23(15,25)4/h6-7,9,13,15-16,18-19,30H,5,8,10-12H2,1-4H3/t13-,15-,16-,18-,19-,22-,23-,24-,25-/m0/s1
  InChIKey: BDSYKGHYMJNPAB-LICBFIPMSA-N
• Cross-matching ID:
  PubChem CID: 6918178
  ChEBI ID: CHEBI:135782
  CAS Number: 66852-54-8
  TTD ID: D00XPC
  ACDINA ID: D01139

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	[2]

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

DIG

DIG Name	DIG ID	PubChem CID	Functional Classification
Butylparaben	E00142	7184	Antimicrobial preservative
Cetyl alcohol	E00061	2682	Coating agent; Emollient; Emulsifying agent; Stiffening agent
methylparaben	E00149	7456	Antimicrobial preservative
Propylparaben sodium	E00567	23679044	Antimicrobial preservative
Diisopropyl adipate	E00277	23368	Emollient
Monostearyl citrate	E00510	11612014	Emollient
Aluminum stearate	E00218	12496	Emollient; Emulsion stabilizing agent; Opacifying agent; Viscosity-controlling agent
Edetate disodium	E00186	8759	Complexing agent
Glycerin	E00026	753	Antimicrobial preservative; Emollient; Flavoring agent; Humectant; Lubricant; Plasticizing agent; Solvent; Suppository base; Tonicity agent; Viscosity-controlling agent
Poloxamer 407	E00646	Not Available	Emulsifying agent; Solubilizing agent; Surfactant
Polyethylene glycol 4000	E00654	Not Available	Coating agent; Diluent; Ointment base; Plasticizing agent; Solvent; Suppository base; lubricant
Propylene	E00173	8252	Other agent
Propylene glycol	E00040	1030	Antimicrobial preservative; Humectant; Plasticizing agent; Solvent
Sodium hydroxide	E00234	14798	Alkalizing agent
Sorbitan monooleate	E00503	9920342	Dispersing agent; Emulsifying agent; Solubilizing agent; Surfactant; Suspending agent; Vaccine adjuvant
Stearyl alcohol	E00172	8221	Emollient; Emulsifying agent; Stiffening agent; Viscosity-controlling agent
Water	E00035	962	Solvent
Diethyl sebacate	E00162	8049	Emollient; Penetration agent
Octyldodecanol	E00269	21414	Emollient; Emulsifying agent; Lubricant; Solvent; Viscosity-controlling agent
Polyoxyl 20 cetyl ether	E00452	2724259	Emulsifying agent; Ointment base; Solubilizing agent; Surfactant
Sorbitan sesquioleate	E00494	6433515	Dispersing agent; Emulsifying agent; Solubilizing agent; Surfactant; Suspending agent; Vaccine adjuvant
Sorbitan tristearate	E00516	17800859	Dispersing agent; Emulsifying agent; Solubilizing agent; Surfactant; Suspending agent; Vaccine adjuvant

Pharmaceutical Formulation

Formulation Name	Drug Dosage	Dosage Form	Route
Halobetasol Propionate 0.05% lotion	0.05%	Lotion	Topical
Halobetasol Propionate 0.01% lotion	0.01%	Lotion	Topical
Halobetasol Propionate 0.05% ointment	0.05%	Ointment	Topical

Jump to Detail Pharmaceutical Formulation Page of This Drug

References

• [1] Natural products as sources of new drugs over the last 25 years. J Nat Prod. 2007 Mar;70(3):461-77.
• [2] Drugs@FDA. U.S. Food and Drug Administration. U.S. Department of Health & Human Services.