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

General Information of Drug (ID: DR0780)
Drug Name
BRN-0592109
Synonyms
FBB 4231; Glisepin; Glisoxepid; Glisoxepida; Glisoxepida [INN-Spanish]; Glisoxepida [Spanish]; Glisoxepide; Glisoxepide [INN:BAN:DCF]; Glisoxepidum; Glisoxepidum [INN-Latin]; Pro-Diaban; RP 22410; 1-(Hexahydro-1H-azepin-1-yl)-3-((p-(2-(5-methyl-3-isoxazolecarboxamido)ethyl)phenyl)sulfonyl)urea; 25046-79-1; BRN 0592109; BS 4231; Bay B 4231; C20H27N5O5S; EINECS 246-579-5; H7SC0I332I; N-[2-[4-(azepan-1-ylcarbamoylsulfamoyl)phenyl]ethyl]-5-methyl-1,2-oxazole-3-carboxamide; NCGC00159475-02; UNII-H7SC0I332I
Indication Diabetes mellitus [ICD11: 5A10] Phase 2 [1]
Structure
3D MOL 2D MOL
Pharmaceutical Properties Molecular Weight 449.5 Topological Polar Surface Area 142
Heavy Atom Count 31 Rotatable Bond Count 7
Hydrogen Bond Donor Count 3 Hydrogen Bond Acceptor Count 7
Cross-matching ID
PubChem CID
32778
PubChem SID
8172825 ; 15478163 ; 29215430 ; 34674787 ; 46508780 ; 48416056 ; 49987582 ; 51091457 ; 57311407 ; 75725261 ; 104314493 ; 127346563 ; 127346564 ; 134338201 ; 134997083 ; 136074034 ; 137006664 ; 139955826 ; 144205252 ; 160708863 ; 160964607 ; 164841971 ; 176246077 ; 179225782 ; 198959702 ; 215784432 ; 223532541 ; 226432748 ; 242326209
ChEBI ID
CHEBI:135731
CAS Number
25046-79-1
TTD Drug ID
D04NTJ
Formula
C20H27N5O5S
Canonical SMILES
CC1=CC(=NO1)C(=O)NCCC2=CC=C(C=C2)S(=O)(=O)NC(=O)NN3CCCCCC3
InChI
1S/C20H27N5O5S/c1-15-14-18(23-30-15)19(26)21-11-10-16-6-8-17(9-7-16)31(28,29)24-20(27)22-25-12-4-2-3-5-13-25/h6-9,14H,2-5,10-13H2,1H3,(H,21,26)(H2,22,24,27)
InChIKey
ZKUDBRCEOBOWLF-UHFFFAOYSA-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
Acyl glucoside of pranoprofen DM006795 N. A. Unclear 1 [3]
Acyl glucuronide of pranoprofen DM006794 N. A. Unclear 1 [4]
The Full List of Metabolic Reaction (MR) of This Drug
MR ID Reactant Product MR Type DME REF
MR007362 BRN-0592109 Acyl glucuronide of pranoprofen Unclear Unclear [4]
MR007363 BRN-0592109 Acyl glucoside of pranoprofen Unclear Unclear [3]
Drug-Metabolizing Enzyme(s) (DME) Metabolizing This Drug
DME Name DME Info Species Uniprot ID EC Number REF
Cytochrome P450 2C9 (CYP2C9) DME0019 Homo sapiens
CP2C9_HUMAN
1.14.14.1
[2]
References
1 Comparison of the Action of an -Glucosidase Inhibitor (Acarbose) and a Sulfonylurea Preparation (Glisoxepide) in Non-insulin-dependent Diabetics. Acarbose for the Treatment of Diabetes Mellitus. Springer Berlin Heidelberg, 1988.
2 Clinically and pharmacologically relevant interactions of antidiabetic drugs. Ther Adv Endocrinol Metab. 2016 Apr;7(2):69-83.
3 Species differences in absorption, metabolism and excretion of pranoprofen, a 2-arylpropionic acid derivative, in experimental animals
4 Stereoselective disposition of pranoprofen, a nonsteroidal antiinflammatory drug, in rabbits

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