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

General Information of Drug (ID: DR1426)
Drug Name
Rimexolone
Synonyms
Rimexolon; Rimexolona; O7M2E4264D; Org 6216; Org-6216; RIMEXOLONE; Rimexel; Rimexolona [INN-Spanish]; Rimexolone [USAN:USP:INN:BAN]; Rimexolonum; Rimexolonum [INN-Latin]; Trimexolone; (8S,9S,10R,11S,13S,14S,16R,17S)-11-hydroxy-10,13,16,17-tetramethyl-17-propanoyl-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-3-one; 11beta-Hydroxy-16alpha,17,21-trimethyl-1,4-pregnadien-3,20-dion; 11beta-Hydroxy-16alpha,17alpha-dimethyl-17-propionylandrosta-1,4-dien-3-one; 49697-38-3; AL 02178; MLS002154105; UNII-O7M2E4264D; Vexol
Indication Anterior uveitis [ICD11: 9A96] Approved [1]
Structure
3D MOL 2D MOL
Pharmaceutical Properties Molecular Weight 370.5 Topological Polar Surface Area 54.4
Heavy Atom Count 27 Rotatable Bond Count 2
Hydrogen Bond Donor Count 1 Hydrogen Bond Acceptor Count 3
Cross-matching ID
PubChem CID
5311412
PubChem SID
7980520 ; 11056486 ; 11467048 ; 11468168 ; 11486786 ; 12014133 ; 14804034 ; 14828819 ; 39341090 ; 47207390 ; 47871005 ; 47871006 ; 47871007 ; 48170707 ; 49699253 ; 50123981 ; 56463550 ; 57359468 ; 80240860 ; 85788089 ; 92126045 ; 103770600 ; 103914672 ; 114156025 ; 121363716 ; 124801082 ; 134224655 ; 135000880 ; 137005248 ; 141792894 ; 164233438 ; 164764869 ; 175267976 ; 175612108 ; 178103677 ; 179149417 ; 226767286 ; 244890192
ChEBI ID
CHEBI:135566
CAS Number
49697-38-3
TTD Drug ID
D0D2TN
Formula
C24H34O3
Canonical SMILES
CCC(=O)C1(C(CC2C1(CC(C3C2CCC4=CC(=O)C=CC34C)O)C)C)C
InChI
1S/C24H34O3/c1-6-20(27)24(5)14(2)11-18-17-8-7-15-12-16(25)9-10-22(15,3)21(17)19(26)13-23(18,24)4/h9-10,12,14,17-19,21,26H,6-8,11,13H2,1-5H3/t14-,17+,18+,19+,21-,22+,23+,24-/m1/s1
InChIKey
QTTRZHGPGKRAFB-OOKHYKNYSA-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
Hydroxy rimexolone DM005414 N. A. Oxidation - Hydrolyzationn 1 [3]
The Full List of Metabolic Reaction (MR) of This Drug
MR ID Reactant Product MR Type DME REF
MR005747 Rimexolone Hydroxy rimexolone Oxidation - Hydrolyzationn Unclear [3]
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 Rimexolone was approved by FDA. The 2020 official website of the U.S. Food and Drug Administration.
2 Identification of clinically used drugs that activate pregnane X receptors. Drug Metab Dispos. 2011 Jan;39(1):151-9.
3 Binding affinities of rimexolone (ORG 6216), flunisolide and their putative metabolites for the glucocorticoid receptor of human synovial tissue

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