Details of the Drug Metabolized by Drug-Metabolizing Enzyme (DME)

General Information of Drug (ID: DR0710)
Drug Name
Flunisolide
Synonyms
Flunisolida; Flunisolida [INN-Spanish]; Flunisolide (anhydrous); Flunisolide HFA; Flunisolide [INN]; Flunisolide [anhydrous]; Flunisolide anhydrous; Flunisolidum; Flunisolidum [INN-Latin]; Nasalide; Nasarel; Nisolid; RS 3999; RS-3999; Rhinalar; Aerobid; Aerobid M; Aerospan; Bronalide; Soluzione; Synaclyn; Syntaris; flunisolide; 78M02AA8KF; CHEBI:5106; DSSTox_CID_25534; DSSTox_GSID_45534; DSSTox_RID_80936; EINECS 222-193-2; Lunis; MLS002153928; UNII-78M02AA8KF
Indication Allergic rhinitis [ICD11: CA08] Approved [1]
Structure
3D MOL 2D MOL
Pharmaceutical Properties Molecular Weight 434.5 Topological Polar Surface Area 93.1
Heavy Atom Count 31 Rotatable Bond Count 2
Hydrogen Bond Donor Count 2 Hydrogen Bond Acceptor Count 7
Cross-matching ID
PubChem CID
82153
ChEBI ID
CHEBI:5106
CAS Number
3385-03-3
TTD Drug ID
D0FM2P
Formula
C24H31FO6
Canonical SMILES
CC1(OC2CC3C4CC(C5=CC(=O)C=CC5(C4C(CC3(C2(O1)C(=O)CO)C)O)C)F)C
InChI
1S/C24H31FO6/c1-21(2)30-19-9-14-13-8-16(25)15-7-12(27)5-6-22(15,3)20(13)17(28)10-23(14,4)24(19,31-21)18(29)11-26/h5-7,13-14,16-17,19-20,26,28H,8-11H2,1-4H3/t13-,14-,16-,17-,19+,20+,22-,23-,24+/m0/s1
InChIKey
XSFJVAJPIHIPKU-XWCQMRHXSA-N
The Metabolic Roadmap of This Drug
The Full List of Drug Metabolites (DM) of This Drug
DM Name DM ID PubChem ID Reaction DM Level REF
21-carboxy flunisolide DM006285 N. A. Unclear 1 [2]
6-OH intermediate DM006281 N. A. Unclear 1 [2]
?6-flunnisolide DM006284 N. A. Unclear 1 [2]
6-keto flunisolide DM006282 N. A. Unclear 2 [2]
?6-flunnisolide DM006284 N. A. Unclear 2 [2]
6beta-OH defluorinated flunisolide DM006283 N. A. Unclear 3 [2]
The Full List of Metabolic Reaction (MR) of This Drug
MR ID Reactant Product MR Type DME REF
MR006738 Flunisolide 6-OH intermediate Unclear Unclear [2]
MR006742 Flunisolide 21-carboxy flunisolide Unclear Unclear [2]
MR006743 Flunisolide ?6-flunnisolide Unclear Unclear [2]
MR006739 6-OH intermediate 6-keto flunisolide Unclear Unclear [2]
MR006741 6-OH intermediate ?6-flunnisolide Unclear Unclear [2]
MR006740 6-keto flunisolide 6beta-OH defluorinated flunisolide Unclear Unclear [2]
⏷ Show the Full List of 6 MR(s)
Drug-Metabolizing Enzyme(s) (DME) Metabolizing This Drug
DME Name DME Info Species Uniprot ID EC Number REF
Cytochrome P450 3A4 (CYP3A4) DME0001 Homo sapiens
CP3A4_HUMAN
1.14.14.55
[2]
References
1 Flunisolide was approved by FDA. The 2020 official website of the U.S. Food and Drug Administration.
2 Metabolic pathways of inhaled glucocorticoids by the CYP3A enzymes. Drug Metab Dispos. 2013 Feb;41(2):379-89.

If you find any error in data or bug in web service, please kindly report it to Dr. Yin and Dr. Li.