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

General Information of Drug (ID: DR5619)
Drug Name
Ibutilide
Synonyms
Corvert; Ibutilida; Ibutilidum; Butilide fumarate; IBUTILIDE FUMARATE; Ibutilide Fumarate [USAN]; U 70226E; U82208E; U82209E; Corvert (TN); Ibutilida [INN-Spanish]; Ibutilide (INN); Ibutilide [BAN:INN]; Ibutilide [INN:BAN]; Ibutilide fumarate (USAN); Ibutilidum [INN-Latin]; U-70226E; U-82208E; U-82209E; Ibutilide, (+-)-isomer; N-[4-[4-[ethyl(heptyl)amino]-1-hydroxybutyl]phenyl]methanesulfonamide; Ibutilide, fumarate salt (2:1), (+-)-isomer; N-(4-(4-(ethylheptylamino)-1-hydroxybutyl)phenyl)methanesulfonamide; N-(4-{4-[ethyl(heptyl)amino]-1-hydroxybutyl}phenyl)methanesulfonamide; Methanesulfonamide, N-(4-(4-(ethylheptylamino)-1-hydroxybutyl)phenyl)-, (E)-2-butenedioate (2:1) (salt); Methanesulfonamide, N-(4-(4-(ethylheptylamino)-1-hydroxybutyl)phenyl)-, (+-)-, (E)-2-butenedioate (2:1) (salt); Methanesulfonamide, N-(4-(4-(ethylheptylamino)-1-hydroxybutyl)phenyl)-, (+-)-,(E)-2-butenedioate (2:1) (salt); (+-)-4'-(4-(Ethylheptylamino)-1-hydroxybutyl)methanesulfoanilide (E)-2-butenedioate (2:1); (+-)-4'-(4-(Ethylheptylamino)-1-hydroxybutyl)methanesulfonanilide fumarate (2:1) (salt); (+-)-N-(4-(4-(Ethylheptylamino)-1-hydroxybutyl)phenyl)methanesulfonamide (E)-butenedioate
Indication Atrial fibrillation [ICD11: BC81] Approved [1]
Structure
3D MOL 2D MOL
Pharmaceutical Properties Molecular Weight 384.6 Topological Polar Surface Area 78
Heavy Atom Count 26 Rotatable Bond Count 14
Hydrogen Bond Donor Count 2 Hydrogen Bond Acceptor Count 5
Cross-matching ID
PubChem CID
60753
ChEBI ID
CHEBI:5856
CAS Number
122647-31-8
TTD Drug ID
D02MLW
Formula
C20H36N2O3S
Canonical SMILES
CCCCCCCN(CC)CCCC(C1=CC=C(C=C1)NS(=O)(=O)C)O
InChI
InChI=1S/C20H36N2O3S/c1-4-6-7-8-9-16-22(5-2)17-10-11-20(23)18-12-14-19(15-13-18)21-26(3,24)25/h12-15,20-21,23H,4-11,16-17H2,1-3H3
InChIKey
ALOBUEHUHMBRLE-UHFFFAOYSA-N
The Predicted Metabolic Roadmap of This Drug
The Full List of Predicted Drug Metabolites (PDM) of This Drug
PDM Name PDM ID PubChem ID Reaction PDM Level Biosystem
Ibutilide M1 PDM012771 N. A. Conjugation - Alkyl-OH-glucuronidation 1 Human
Ibutilide M2 PDM012772 N. A. Conjugation - N-Glucuronidation of sulfonamide 1 Human
Ibutilide M3 PDM012773 N. A. Conjugation - N-Glucuronidation of tertiary aliphatic amine 1 Human
Ibutilide M4 PDM012774 N. A. Conjugation - Sulfation of secondary alcohol 1 Human
Drug-Metabolizing Enzyme(s) (DME) Metabolizing This Drug
DME Name DME Info Species Uniprot ID EC Number REF
Cytochrome P450 3A (CYP3A) DMEN065 . Not Available Not Available [2]
References
1 URL: http://www.guidetopharmacology.org Nucleic Acids Res. 2015 Oct 12. pii: gkv1037. The IUPHAR/BPS Guide to PHARMACOLOGY in 2016: towards curated quantitative interactions between 1300 protein targets and 6000 ligands. (Ligand id: 7200).
2 Progesterone Metabolites Inhibit the Human Ether-a-go-go-Related Gene and Predict QT Interval Length

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