Details of the Drug

General Information of Drug (ID: DM68K39)

Drug Name

ETIPREDNOL DICLOACETATE

Synonyms

BNP-166; Cronaze (Ivax); Ethinase (Ivax); Etiprednol dicloacetate < USAN; Respicort (Ivax); (11beta,17alpha)-17-(2,2-Dichloroacetoxy)-11-hydroxy-3-oxoandrosta-1,4-diene-17-carboxylic acid ethyl ester

Indication

Disease Entry	ICD 11	Status	REF
Rhinitis	FA20	Phase 2	[1]
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Drug Type

Small molecular drug

Structure

3D MOL

2D MOL

#Ro5 Violations (Lipinski): 0

Molecular Weight (mw)

485.4

Logarithm of the Partition Coefficient (xlogp)

4.2

Rotatable Bond Count (rotbonds)

Hydrogen Bond Donor Count (hbonddonor)

Hydrogen Bond Acceptor Count (hbondacc)

Chemical Identifiers

Formula: C24H30Cl2O6
IUPAC Name: ethyl (8S,9S,10R,11S,13S,14S,17R)-17-(2,2-dichloroacetyl)oxy-11-hydroxy-10,13-dimethyl-3-oxo-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthrene-17-carboxylate
Canonical SMILES: CCOC(=O)[C@]1(CC[C@@H]2[C@@]1(C[C@@H]([C@H]3[C@H]2CCC4=CC(=O)C=C[C@]34C)O)C)OC(=O)C(Cl)Cl
InChI: InChI=1S/C24H30Cl2O6/c1-4-31-21(30)24(32-20(29)19(25)26)10-8-16-15-6-5-13-11-14(27)7-9-22(13,2)18(15)17(28)12-23(16,24)3/h7,9,11,15-19,28H,4-6,8,10,12H2,1-3H3/t15-,16-,17-,18+,22-,23-,24-/m0/s1
InChIKey: QAIOVDNCIZSSSF-RFAJLIJZSA-N

Cross-matching ID

PubChem CID: 9935073
ChEBI ID: CHEBI:135783
CAS Number: 199331-40-3
UNII: 332VLD554F
DrugBank ID: DB05442
TTD ID: D0OR8W

Molecular Interaction Atlas of This Drug

Drug Therapeutic Target (DTT)

DTT Name	DTT ID	UniProt ID	MOA	REF
Glucocorticoid receptor (NR3C1)	TTYRL6O	GCR_HUMAN	Modulator	[2]

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Molecular Interaction Atlas (MIA)

MIA Detail

Jump to Detail Molecular Interaction Atlas of This Drug

References

1	ClinicalTrials.gov (NCT00035503) Multicenter Trial For Patients With Acute Crohn's Disease. U.S. National Institutes of Health.
2	Advances in corticosteroid therapy for ocular inflammation: loteprednol etabonate.Int J Inflam.2012;2012:789623.